# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-10T05:49:06+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 14 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
"1001280","6.444","0.004","3.801","0.001","18.86","0.01","90","","90","","90","","462","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","THALLIUM TANTALUM TITANIUM OXIDE","","- O5 Ta Ti Tl -","- O5 Ta Ti Tl -","- O20 Ta4 Ti4 Tl4 -","4","0.5","","Rebbah, A; Desgardin, G; Raveau, B","Les oxydes A Ti M O~5~: echangeures cationiques","Materials Research Bulletin","1979","14","","1125","1131","10.1016/0025-5408(79)90206-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001285","15.183","","3.783","","9.143","","90","","98.7","","90","","519.1","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","SODIUM BARIUM TITANIUM OXIDE (1.7/.5/5.9/13)","","- Ba0.45 Na1.7 O13 Ti5.85 -","- Ba0.452 Na1.7 O13 Ti5.85 -","- Ba0.904 Na3.4 O26 Ti11.7 -","2","0.25","","Hervieu, M; Germain, P; Desgardin, G; Raveau, B","Non-stoichiometric titanates ^ ^(a2-2x)(ba3x)(ti6-x) o13 ^ ^with a tunnel structure","Materials Research Bulletin","1979","14","","267","272","10.1016/0025-5408(79)90129-6","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001286","9.844","0.005","17.752","0.007","4.095","0.002","90","","90","","90","","715.6","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","COPPER(I) MERCURY SULFIDE CHLORIDE","","- Cl Cu Hg S -","- Cl Cu Hg S -","- Cl8 Cu8 Hg8 S8 -","8","1","","Guillo, M; Mercey, B; Deschanvres, G","Systemes Cu X (X = Cl, Br) - Hg S. Etude des composes Cu Hg S X (X = Cl, Br)","Materials Research Bulletin","1979","14","","947","954","10.1016/0025-5408(79)90162-4","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001287","10.045","0.006","18.32","0.001","4.128","0.002","90","","90","","90","","759.7","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","COPPER(I) MERCURY SULFIDE BROMIDE","","- Br Cu Hg S -","- Br Cu Hg S -","- Br8 Cu8 Hg8 S8 -","8","1","","Guillo, M; Mercey, B; Deschanvres, G","Systemes Cu X (X = Cl, Br) - Hg S. Etude des composes Cu Hg S X (X = Cl, Br)","Materials Research Bulletin","1979","14","","947","954","10.1016/0025-5408(79)90162-4","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001288","6.067","0.004","6.067","0.004","9.88","0.008","90","","90","","120","","314.9","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","LITHIUM ZINC TIN OXIDE (1.6/1.6/2.8/8)","","- Li1.6 O8 Sn2.8 Zn1.6 -","- Li1.6 O8 Sn2.8 Zn1.6 -","- Li3.2 O16 Sn5.6 Zn3.2 -","2","0.166667","","Choisnet, J; Raveau, B","Une nouvelle structure hexagonale compacte ordonne: les oxydes (sn - x3)~octa~ (M - Li)~tetra~ O~8~ avec X = Sn(Ti)+ M + Li et M = Zn, Mg","Materials Research Bulletin","1979","14","","1381","1389","10.1016/0025-5408(79)90079-5","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001289","6.077","0.004","6.077","0.004","9.829","0.008","90","","90","","120","","314.4","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","LITHIUM MAGNESIUM TIN OXIDE (1.6/1.6/2.8/8)","","- Li1.6 Mg1.6 O8 Sn2.8 -","- Li1.6 Mg1.6 O8 Sn2.8 -","- Li3.2 Mg3.2 O16 Sn5.6 -","2","0.166667","","Choisnet, J; Raveau, B","Une nouvelle structure hexagonale compacte ordonne: les oxydes (sn - x3)~octa~ (M - Li)~tetra~ O~8~ avec X = Sn(Ti)+ M + Li et M = Zn, Mg","Materials Research Bulletin","1979","14","","1381","1389","10.1016/0025-5408(79)90079-5","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001290","6.011","0.004","6.011","0.004","9.815","0.008","90","","90","","120","","307.1","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","LITHIUM ZINC TITANIUM TIN OXIDE (1.6/1.6/0.7/2.1/8)","","- Li1.6 O8 Sn2.1 Ti0.7 Zn1.6 -","- Li1.6 O8 Sn2.1001 Ti0.6999 Zn1.6 -","- Li3.2 O16 Sn4.2002 Ti1.3998 Zn3.2 -","2","0.166667","","Choisnet, J; Raveau, B","Une nouvelle structure hexagonale compacte ordonne: les oxydes (sn - x3)~octa~ (M - Li)~tetra~ O~8~ avec X = Sn(Ti)+ M + Li et M = Zn, Mg","Materials Research Bulletin","1979","14","","1381","1389","10.1016/0025-5408(79)90079-5","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001298","9.086","","9.086","","12.054","","90","","90","","120","","861.8","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","TRIPOTASSIUM HEPTATANTALUM TITANIUM OXIDE","","- K3 O21 Ta7 Ti -","- K3 O21 Ta6.9998 Ti1.0002 -","- K6 O42 Ta13.9996 Ti2.0004 -","2","0.0833333","","Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A","Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages","Revue de Chimie Minerale","1977","14","","1","10","","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001299","9.12","","9.12","","12.086","","90","","90","","120","","870.6","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","POTASSIUM TANTALUM IRON OXIDE (3/7.5/0.5/21)","","- Fe0.5 K3 O21 Ta7.5 -","- Fe0.4998 K3 O21 Ta7.5002 -","- Fe0.9996 K6 O42 Ta15.0004 -","2","0.0833333","","Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A","Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages","Revue de Chimie Minerale","1977","14","","1","10","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001300","9.024","","9.024","","11.79","","90","","90","","120","","831.5","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","TRIBARIUM TETRATANTALUM TETRATITANIUM OXIDE","","- Ba3 O21 Ta4 Ti4 -","- Ba3 O21 Ta3.9998 Ti4.0002 -","- Ba6 O42 Ta7.9996 Ti8.0004 -","2","0.0833333","","Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A","Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages","Revue de Chimie Minerale","1977","14","","1","10","","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001301","9.116","","9.116","","11.93","","90","","90","","120","","858.6","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","BARIUM TANTALUM IRON OXIDE (3/6/2/21)","","- Ba3 Fe2 O21 Ta6 -","- Ba3 Fe1.9998 O21 Ta6.0002 -","- Ba6 Fe3.9996 O42 Ta12.0004 -","2","0.0833333","","Groult, D; Chailleux, J M; Raveau, B; Deschanvres, A","Nouveaux tantalates A~3~ (Ta~8-x~ M~x~) O~21~ a structure en cages","Revue de Chimie Minerale","1977","14","","1","10","","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001302","9.188","","9.188","","8.123","","90","","90","","120","","593.9","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Hexapotassium hexaniobium tetragermanium oxide","","- Ge4 K6 Nb6 O26 -","- Ge4 K6 Nb6 O26 -","- Ge4 K6 Nb6 O26 -","1","0.0833333","","Choisnet, J; Nguyen, N; Raveau, B","Etude du comportement du germanium dans les structures a tunnels de section pentagonale: Les silicogermanates K~6~ Nb~6~ Ge~x~ Si~4-x~ O~26~","Revue de Chimie Minerale","1977","14","","311","317","","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004064","8.622","0.004","8.622","0.004","5.907","0.003","90","","90","","90","","439.1","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Palladium dibismuth oxide","","- Bi2 O4 Pd -","- Bi2 O4 Pd -","- Bi8 O16 Pd4 -","4","0.25","","Conflant, P.; Boivin, J. C.; Thomas, D.","Etude de la serie isostructurale M(II)Bi~2~O~4~: PbBi~2~O~4~","Revue de Chimie Minerale","1977","14","","249","255","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","200126","2020-10-21","18:00:00",""
"1007046","12.43","","12.43","","12.43","","90","","90","","90","","1920.5","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Disodium calcium ditin(IV) trigermanium oxide","","- Ca Ge3 Na2 O12 Sn2 -","- Ca0.999 Ge3 Na2.001 O12 Sn2 -","- Ca7.992 Ge24 Na16.008 O96 Sn16 -","8","0.0833333","","Durif, A; Maupin, G","Etude de deux germanates du type grenat","Acta Crystallographica (1,1948-23,1967)","1961","14","","440","441","10.1107/S0365110X61001418","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007047","12.359","","12.359","","12.359","","90","","90","","90","","1887.8","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Disodium calcium dititanium trigermanium oxide","","- Ca Ge3 Na2 O12 Ti2 -","- Ca0.999 Ge3 Na2.001 O12 Ti2 -","- Ca7.992 Ge24 Na16.008 O96 Ti16 -","8","0.0833333","","Durif, A; Maupin, G","Etude de deux germanates du type grenat","Acta Crystallographica (1,1948-23,1967)","1961","14","","440","441","10.1107/S0365110X61001418","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007090","4.849","","4.849","","10.501","","90","","90","","90","","246.9","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Hafnium germanate","","- Ge Hf O4 -","- Ge Hf O -","- Ge4 Hf4 O4 -","4","0.25","","Durif, A","Structure du germanate d'hafnium","Acta Crystallographica (1,1948-23,1967)","1961","14","3","312","312","10.1107/S0365110X61000942","","","","","","","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"1007138","12.26","0.01","7.059","0.003","8.225","0.003","90","","90.32","0.05","90","","711.8","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Telluric acid rubidium hydrogenphosphate dihydrogenphosphate","","- H9 O14 P2 Rb3 Te -","- H10.5 O14 P2 Rb3 Te -","- H21 O28 P4 Rb6 Te2 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Structure cristalline d'un phospho-tellurate de rubidium: Te (O H)~6~ Rb~2~ (H P O~4~) Rb (H~2~ P O~4~)","Materials Research Bulletin","1979","14","","1219","1223","10.1016/0025-5408(79)90217-4","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007247","5.212","0.003","9.913","0.005","4.475","0.003","90","","97.46","0.1","90","","229.3","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Dinickel diphosphate","","- Ni2 O7 P2 -","- Ni2 O7 P2 -","- Ni4 O14 P4 -","2","0.5","","Masse, R; Guitel, J C; Durif, A","Structure cristalline d'une nouvelle variante de pyrophosphate de nickel Ni2 P2 O7","Materials Research Bulletin","1979","14","","337","341","10.1016/0025-5408(79)90098-9","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008224","11.835","0.003","11.835","0.003","29.991","0.009","90","","90","","120","","3638","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Bismuth(I) tetrachloroaluminate","","- Al Bi Cl4 -","","","18","1","","Levy, H A; Agron, P A; Danford, M D; Ellison, R D","Cell dimensions and space group of bismuth(I) chloro-aluminate.","Acta Crystallographica (1,1948-23,1967)","1961","14","","549","550","10.1107/S0365110X61001753","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1008290","5.9475","","5.9475","","5.9475","","90","","90","","90","","210.4","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.95/.05/.05/1.95)","","- Bi0.05 F1.95 O0.05 Pb0.95 -","- Bi0.048 F1.9508 O0.0492 Pb0.95 -","- Bi0.192 F7.8032 O0.1968 Pb3.8 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.021","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008292","5.935","","5.935","","5.935","","90","","90","","90","","209.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.85/.15/.15/1.85)","","- Bi0.15 F1.85 O0.15 Pb0.85 -","- Bi0.18 F1.8552 O0.1448 Pb0.85 -","- Bi0.72 F7.4208 O0.5792 Pb3.4 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008293","5.9256","","5.9256","","5.9256","","90","","90","","90","","208.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.80/.20/.20/1.80)","","- Bi0.2 F1.8 O0.2 Pb0.8 -","- Bi0.18 F1.8172 O0.1908 Pb0.8 -","- Bi0.72 F7.2688 O0.7632 Pb3.2 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008294","5.9183","","5.9183","","5.9183","","90","","90","","90","","207.3","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.75/.25/.25/1.75)","","- Bi0.25 F1.75 O0.25 Pb0.75 -","- Bi0.24 F1.768 O0.252 Pb0.75 -","- Bi0.96 F7.072 O1.008 Pb3 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008295","5.8977","","5.8977","","5.8977","","90","","90","","90","","205.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.70/.30/.30/1.70)","","- Bi0.3 F1.7 O0.3 Pb0.7 -","- Bi0.3 F1.6916 O0.3004 Pb0.7 -","- Bi1.2 F6.7664 O1.2016 Pb2.8 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008296","5.9069","","5.9069","","5.9069","","90","","90","","90","","206.1","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.65/.35/.35/1.65)","","- Bi0.35 F1.65 O0.35 Pb0.65 -","- Bi0.36 F1.652 O0.344 Pb0.65 -","- Bi1.44 F6.608 O1.376 Pb2.6 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008297","5.9028","","5.9028","","5.9028","","90","","90","","90","","205.7","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.60/.40/.40/1.60)","","- Bi0.4 F1.6 O0.4 Pb0.6 -","- Bi0.42 F1.604 O0.396 Pb0.6 -","- Bi1.68 F6.416 O1.584 Pb2.4 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008298","5.8988","","5.8988","","5.8988","","90","","90","","90","","205.3","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.55/.45/.45/1.55)","","- Bi0.45 F1.55 O0.45 Pb0.55 -","- Bi0.48 F1.56 O0.448 Pb0.55 -","- Bi1.92 F6.24 O1.792 Pb2.2 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008299","5.8822","","5.8822","","5.8822","","90","","90","","90","","203.5","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.50/.50/.50/1.50)","","- Bi0.5 F1.5 O0.5 Pb0.5 -","- Bi0.48 F1.5 O0.5 Pb0.5 -","- Bi1.92 F6 O2 Pb2 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008300","5.8722","","5.8722","","5.8722","","90","","90","","90","","202.5","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.40/.60/.60/1.60)","","- Bi0.6 F1.4 O0.6 Pb0.4 -","- Bi0.6 F1.412 O0.6028 Pb0.4 -","- Bi2.4 F5.648 O2.4112 Pb1.6 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008301","5.8641","","5.8641","","5.8641","","90","","90","","90","","201.7","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.33/.67/.67/1.33)","","- Bi0.67 F1.33 O0.67 Pb0.33 -","- Bi0.66 F1.324 O0.668 Pb0.33 -","- Bi2.64 F5.296 O2.672 Pb1.32 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb~1-x~ Bi~x~ O~x~ F~2-x~","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008692","5.937","","5.937","","5.937","","90","","90","","90","","209.3","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Lead bismuth oxide fluoride (.9/.1/.1/1.9)","","- Bi0.1 F1.9 O0.1 Pb0.9 -","- Bi0.12 F1.8976 O0.1024 Pb0.9 -","- Bi0.48 F7.5904 O0.4096 Pb3.6 -","4","0.0208333","","Soubeyroux, J L; Matar, S F; Reau, J M; Hagenmuller, P","Etude des proprietes structurales et electriques de la solution solide Pb1-x Bix Ox F2-x","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008842","3.756","","3.756","","6.234","","90","","90","","90","","87.9","","","","","","","","","","","","synthetic","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Bismuth oxide fluoride","Zavaritskite","- Bi F O -","- Bi F O -","- Bi2 F2 O2 -","2","0.125","","Soubeyroux, J. L.; Matar, S. F.; Reau, J. M.; Hagenmuller, P.","Etude des proprietes structurales et electriques de la solution solide Pb1-xBixOxF2-x Locality: synthetic","Solid State Ionics","1984","14","","337","345","10.1016/0167-2738(84)90118-8","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1008929","5.96","","5.96","","5.96","","29.43","","29.43","","29.43","","45.2","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Copper(I) iron(III) oxide","","- Cu Fe O2 -","- Cu Fe O2 -","- Cu Fe O2 -","1","0.0833333","","Delorme, C; Bertaut, F","Sur l'etat de valences dans le compose Cu Fe O2","Journal de Physique et du Radium","1953","14","","129","130","10.1051/jphysrad:01953001402012901","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010404","4.37","","4.37","","4.37","","90","","90","","90","","83.5","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ammonium iodide","","- H4 I N -","- H4 I N -","- H4 I N -","1","0.0208333","","Simon, F; Simson, C von","Ein Umwandlungspunkt der Ammoniumsalze zwischen -30 und -40 Grad","Naturwissenschaften","1926","14","","880","881","10.1007/BF01490355","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010566","6.814","","6.814","","6.814","","46.33","","46.33","","46.33","","151.1","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Potassium catena-antimonate","","- K O3 Sb -","- K O3 Sb -","- K2 O6 Sb2 -","2","0.333333","","Spiegelberg, P","X-Ray Studies on Potassium Antimonates","Arkiv foer Kemi, Mineralogi och Geologi, A","1940","14","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011292","9.6","","9.6","","9.6","","90","","90","","90","","884.7","","","","","","","","","","","","","3","P n -3 :1","P 2 2 3 -1n","201","","Potassium catena-antimonate","","- K O3 Sb -","- K O3 Sb -","- K12 O36 Sb12 -","12","0.5","","Spiegelberg, P","X-ray studies on potassium antimonates","Arkiv foer Kemi, Mineralogi och Geologi, A","1940","14","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100415","16.404","0.001","19.308","0.001","7.53","0.001","90","","98","0.01","90","","2361.75","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 V Zr -","- C60 H72 V Zr -","- C240 H288 V4 Zr4 -","4","0.5","","Elschenbroich, Christoph; Schmidt, Eckhardt; Metz, Bernhard; Harms, Klaus","Metal π complexes of benzene derivatives. 47. Zircona[1]metallocyclophanes: synthesis, properties, and structure of (tBu-η^5^-C~5~H~4~)~2~Zr(η^1^-1,η^1^-1')(η^6^-C~6~H~5~)~2~V and its chromium analog","Organometallics","1995","14","9","4043","4045","10.1021/om00009a005","","","","","","","","","","","","","","","","","","","","","has coordinates","177958","2020-10-21","18:00:00",""
"1101133","8.148","0.003","9.104","0.002","11.854","0.003","105.37","0.01","95.31","0.02","115.17","0.01","745.8","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H38 N8 Ni O18 -","- C18 H38 N8 Ni O18 -","- C18 H38 N8 Ni O18 -","1","0.5","","Juan M. Salas; Miguel Quirós; M. Angustias Romero; M. Purificación Sánchez; Miguel A. Salas; Rosario Vilaplana","Metal complexes of theophylline-7-acetic acid. Crystal structure of a nickel(II) compound containing non-coordinated theophylline-7-acetate ion","Polyhedron","1995","14","","611","616","10.1016/0277-5387(94)00279-N","","","","","","","0.045","","","0.042","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1200020","3.7021","0.0005","3.7021","0.0005","18.593","0.004","90","","90","","90","","254.83","0.07","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Nickel Antimonide Selenide","","","- Ni5.72 Sb Se2 -","- Ni5.718 Sb Se2 -","- Ni11.436 Sb2 Se4 -","2","0.0625","","Thomas K. Reynolds; Joshua G. Bales; Francis J. DiSalvo","Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni7-SbX2 ( δ ≈ 1.3; X = Se or Te)","Chemistry of Materials","2002","14","11","4746","4751","10.1021/cm020585r","","","0.71073","MoKα","","0.0534","0.0534","","","0.1199","0.1199","","","","","","1.279","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501641","8.3329","0.0001","6.9106","0.0001","17.068","0.0003","90","","94.18","0.001","90","","980.25","0.03","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 Ag N O3 S2 -","- C5 H12 Ag N O3 S2 -","- C20 H48 Ag4 N4 O12 S8 -","4","1","","Mohamed Osman Awaleh; Idriss Guirreh Farah; Elias Said Dirieh; Thierry Maris; Samatar Mohamed Bouh","Synthesis, crystal structures and thermal analysis of two new coordination polymers.","Comptes Rendus Chimie","2011","14","","991","996","10.1016/j.crci.2011.06.002","","","1.54178","CuKα","","0.0468","0.0401","","","0.0997","0.1314","","","","","","1.19","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501642","8.003","0.0002","20.5242","0.0004","15.8557","0.0003","90","","93.532","0.001","90","","2599.43","0.1","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Ag2 F10 O4 S4 -","- C16 H24 Ag2 F10 O4 S4 -","- C64 H96 Ag8 F40 O16 S16 -","4","1","","Mohamed Osman Awaleh; Idriss Guirreh Farah; Elias Said Dirieh; Thierry Maris; Samatar Mohamed Bouh","Synthesis, crystal structures and thermal analysis of two new coordination polymers.","Comptes Rendus Chimie","2011","14","","991","996","10.1016/j.crci.2011.06.002","","","1.54178","CuKα","","0.027","0.0247","","","0.0627","0.0638","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503438","6.3734","0.0002","12.5913","0.0003","26.0483","0.0006","90","","90","","90","","2090.36","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C92 H112 N8 O12 -","4","1","","Caille, Seb; Boni, Jerome; Cox, Geoffrey B.; Faul, Margaret M.; Franco, Pilar; Khattabi, Saab; Klingensmith, Liane M.; Larrow, Jay F.; Lee, James K.; Martinelli, Michael J.; Miller, Larry M.; Moniz, George A.; Sakai, Kenichi; Tedrow, Jason S.; Hansen, Karl B.","Comparison of Large-Scale Routes to Manufacture Chiralexo-2-Norbornyl Thiourea","Organic Process Research & Development","2010","14","1","133","","10.1021/op9002328","","x-ray","0.71073","MoKα","","0.0775","0.0417","","","0.0737","0.0844","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503472","6.2359","0.0012","20.924","0.004","15.489","0.003","90","","91.34","0.03","90","","2020.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F N O3 S -","- C22 H24 F N O3 S -","- C88 H96 F4 N4 O12 S4 -","4","1","","Li, Xiao-Xiao; Zhu, Li-Li; Zhou, Wen; Chen, Zili","Formal intermolecular [2 + 2] cycloaddition reaction of alleneamides with alkenes via gold catalysis.","Organic letters","2012","14","2","436","439","10.1021/ol202703a","","","0.71073","MoKα","","0.0779","0.0568","","","0.1446","0.1619","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503473","8.4193","0.0013","9.0149","0.0012","23.033","0.003","91.14","0.004","99.797","0.004","117.495","0.006","1518.4","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 F2 N2 O4 S2 -","- C34 H32 F2 N2 O4 S2 -","- C68 H64 F4 N4 O8 S4 -","2","1","","Li, Xiao-Xiao; Zhu, Li-Li; Zhou, Wen; Chen, Zili","Formal intermolecular [2 + 2] cycloaddition reaction of alleneamides with alkenes via gold catalysis.","Organic letters","2012","14","2","436","439","10.1021/ol202703a","","","0.71073","MoKα","","0.0492","0.0325","","","0.0717","0.0748","","","","","","1.132","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503474","8.5292","0.0017","9.4437","0.0018","9.5965","0.0018","61.113","0.002","78.878","0.006","64.12","0.009","608.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","diphenylammonium sulfate","","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C24 H26 N2 O8 S2 -","2","1","","Sakakura, Akira; Koshikari, Yoshiki; Akakura, Matsujiro; Ishihara, Kazuaki","Hydrophobic N,N-diarylammonium pyrosulfates as dehydrative condensation catalysts under aqueous conditions.","Organic letters","2012","14","1","30","33","10.1021/ol2027366","","","0.71073","MoKα","","0.0621","0.0602","","","0.1544","0.1567","","","","","","1.252","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503475","11.3832","0.0006","11.7346","0.0006","13.7133","0.0007","84.235","0.001","73.974","0.001","80.192","0.001","1732.1","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H16 N2 -","- C23 H16 N2 -","- C92 H64 N8 -","4","2","","Cao, Jian; Xu, Yongping; Kong, Yulong; Cui, Yuming; Hu, Ziqiang; Wang, Guanhai; Deng, Yuan; Lai, Guoqiao","Synthesis of δ-carbolines via a Pd-catalyzed sequential reaction from 2-iodoanilines and N-tosyl-enynamines.","Organic letters","2012","14","1","38","41","10.1021/ol2027762","","","0.71073","MoKα","","0.0649","0.044","","","0.1366","0.1739","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503476","11.4305","0.0008","25.443","0.002","12.0501","0.0008","90","","90","","90","","3504.5","0.4","110","","110","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C48 H36 N2 O2 -","- C48 H36 N2 O2 -","- C192 H144 N8 O8 -","4","0.5","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","1.5418","CuKα","","0.0433","0.04","","0.1145","0.1097","0.1145","","","","","","0.9889","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503477","34.248","0.005","12.589","0.005","20.845","0.005","90","","124.556","0.005","90","","7402","4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Cl2 N2 O2 -","- C48 H34 Cl2 N2 O2 -","- C384 H272 Cl16 N16 O16 -","8","1","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","0.71069","MoKα","","0.1569","0.0902","","0.1907","0.107","0.0999","","","","","","0.8814","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503478","9.824","0.001","24.577","0.002","12.167","0.001","90","","107.43","0.01","90","","2802.8","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C68 H68 N2 O6 -","- C68 H68 N2 O6 -","- C136 H136 N4 O12 -","2","1","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","1.5418","CuKα","","0.0549","0.0508","","0.146","0.1367","0.146","","","","","","0.959","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503479","15.359","0.005","23.994","0.005","10.421","0.005","90","","93.476","0.005","90","","3833","2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 N2 O2 -","- C46 H32 N2 O2 -","- C184 H128 N8 O8 -","4","0.5","","Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan","Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.","Organic letters","2012","14","1","288","291","10.1021/ol202799j","","","0.71069","MoKα","","0.144","0.0658","","0.1504","0.0741","0.0741","","","","","","1.1294","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503480","12.319","0.0003","14.533","0.0003","16.017","0.0004","64.082","0.0011","69.33","0.0011","66.126","0.0013","2303.78","0.1","100","","100","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C27 H28 N6 O -","- C27 H28 N6 O -","- C108 H112 N24 O4 -","4","2","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.1294","0.0689","","","0.1817","0.219","","","","","","1.136","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503481","26.6002","0.0006","12.4004","0.0008","17.7239","0.0012","90","","120.646","0.005","90","","5029.8","0.5","100","","100","","","","","","","","LOC ETH Zurich","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N6 -","- C30 H26 N6 -","- C240 H208 N48 -","8","1","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.121","0.0849","","","0.2215","0.2435","","","","","","1.442","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503482","11.504","0.0007","12.1136","0.0007","12.853","0.0008","100.552","0.002","98.525","0.002","96.793","0.003","1721.79","0.18","100","","100","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","","","","- C75 H80 N14 O -","- C75 H80 N14 O -","- C75 H80 N14 O -","1","0.5","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.1624","0.0988","","","0.2314","0.2618","","","","","","1.28","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503483","7.2402","0.0013","11.587","0.002","13.95","0.004","89.683","0.008","78.116","0.009","74.635","0.013","1102.8","0.4","100","","100","","","","","","","","LOC ETH Zurich","3","P 1","P 1","1","","","","- C55 H46 N10 -","- C55 H46 N10 -","- C55 H46 N10 -","1","1","","Chiu, Melanie; Jaun, Bernhard; Beels, Marten T. R.; Biaggio, Ivan; Gisselbrecht, Jean-Paul; Boudon, Corinne; Schweizer, W. Bernd; Kivala, Milan; Diederich, François","N,N'-Dicyanoquinone diimide-derived donor-acceptor chromophores: conformational analysis and optoelectronic properties.","Organic letters","2012","14","1","54","57","10.1021/ol202815q","","","0.71073","MoKα","","0.2572","0.138","","","0.2811","0.3595","","","","","","1.267","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503484","12.57","0.003","12.57","","23.061","0.005","90","","90","","120","","3155.6","1","150","2","150","2","","","","","","","synthesis as described","4","P 61","P 61","169","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C126 H180 N12 O24 -","6","1","","Jacolot, Maiwenn; Jean, Mickael; Levoin, Nicolas; van de Weghe, Pierre","The Prins reaction using ketones: rationalization and application toward the synthesis of the portentol skeleton.","Organic letters","2012","14","1","58","61","10.1021/ol202829u","","x-ray","0.71073","MoKα","","0.0473","0.0363","","","0.0798","0.085","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503485","11.317","0.002","12.747","0.003","15.369","0.003","75.186","0.003","78.547","0.003","84","0.003","2097.3","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 S2 Si2 -","- C48 H54 S2 Si2 -","- C96 H108 S4 Si4 -","2","1","","Lehnherr, Dan; Hallani, Rawad; McDonald, Robert; Anthony, John E.; Tykwinski, Rik R.","Synthesis and properties of isomerically pure anthrabisbenzothiophenes.","Organic letters","2012","14","1","62","65","10.1021/ol202843x","","","0.71073","MoKα","","0.098","0.054","","","0.1295","0.153","","","","","","1.017","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503486","11.1453","0.0011","16.4944","0.0016","26.181","0.003","88.4584","0.0013","85.4059","0.0014","89.7663","0.0013","4795.8","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 S2 Si2 -","- C54 H66 S2 Si2 -","- C216 H264 S8 Si8 -","4","2","","Lehnherr, Dan; Hallani, Rawad; McDonald, Robert; Anthony, John E.; Tykwinski, Rik R.","Synthesis and properties of isomerically pure anthrabisbenzothiophenes.","Organic letters","2012","14","1","62","65","10.1021/ol202843x","","","0.71073","MoKα","","0.1007","0.0599","","","0.1313","0.1527","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503487","8.9292","0.0004","15.2194","0.0006","18.4144","0.0008","83.0261","0.0005","76.3552","0.0005","88.7465","0.0005","2413.78","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 S2 Si2 -","- C54 H66 S2 Si2 -","- C108 H132 S4 Si4 -","2","1","","Lehnherr, Dan; Hallani, Rawad; McDonald, Robert; Anthony, John E.; Tykwinski, Rik R.","Synthesis and properties of isomerically pure anthrabisbenzothiophenes.","Organic letters","2012","14","1","62","65","10.1021/ol202843x","","","0.71073","MoKα","","0.0602","0.0451","","","0.1255","0.1395","","","","","","1.046","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503488","19.9856","0.0008","9.602","0.0003","9.2975","0.0003","90","","90","","90","","1784.21","0.11","100","","100","","","","","","","","LOC ETH Zurich","5","P n a 21","P 2c -2n","33","","","","- C19 H20 N2 O3 S -","- C19 H20 N2 O3 S -","- C76 H80 N8 O12 S4 -","4","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Carreira, Erick M.","Expanding the azaspiro[3.3]heptane family: synthesis of novel highly functionalized building blocks.","Organic letters","2012","14","1","66","69","10.1021/ol2028459","","","0.71073","MoKα","","0.0633","0.0423","","","0.1041","0.1185","","","","","","0.816","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503489","23.477","0.003","23.477","0.003","12.0406","0.0013","90","","90","","120","","5747.3","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","6-tosyl-1-oxa-6-azaspiro[3.3]heptan-3-ol","","- C12 H15.67 N O4.33 S -","- C12 H15.6667 N O4.33333 S -","- C216 H282 N18 O78 S18 -","18","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Carreira, Erick M.","Expanding the azaspiro[3.3]heptane family: synthesis of novel highly functionalized building blocks.","Organic letters","2012","14","1","66","69","10.1021/ol2028459","","","0.71073","MoKα","","0.0648","0.0518","","","0.1623","0.1772","","","","","","1.299","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1503490","12.7011","0.00015","5.87973","0.00007","29.5998","0.0004","90","","91.6291","0.0011","90","","2209.59","0.05","123","","123","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N O -","- C30 H27 N O -","- C120 H108 N4 O4 -","4","1","","Kohls, Paul; Jadhav, Deepak; Pandey, Ganesh; Reiser, Oliver","Visible Light Photoredox Catalysis: Generation and Addition of N-Aryltetrahydroisoquinoline-Derived α-Amino Radicals to Michael Acceptors.","Organic letters","2012","14","3","672","675","10.1021/ol202857t","","x-ray","1.54184","CuKα","","0.0413","0.0357","","","0.0968","0.1002","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503491","7.5553","0.0007","10.2402","0.0008","14.3883","0.0015","94.865","0.008","90.429","0.008","101.756","0.007","1085.56","0.18","123","","123","","","","","","","","see text","3","P -1","-P 1","2","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","1","","Kohls, Paul; Jadhav, Deepak; Pandey, Ganesh; Reiser, Oliver","Visible Light Photoredox Catalysis: Generation and Addition of N-Aryltetrahydroisoquinoline-Derived α-Amino Radicals to Michael Acceptors.","Organic letters","2012","14","3","672","675","10.1021/ol202857t","","x-ray","1.54184","CuKα","","0.0577","0.0504","","","0.1295","0.1333","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503492","9.1545","0.0005","21.6152","0.001","8.6185","0.0003","90","","98.632","0.004","90","","1686.08","0.14","123","","123","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Kohls, Paul; Jadhav, Deepak; Pandey, Ganesh; Reiser, Oliver","Visible Light Photoredox Catalysis: Generation and Addition of N-Aryltetrahydroisoquinoline-Derived α-Amino Radicals to Michael Acceptors.","Organic letters","2012","14","3","672","675","10.1021/ol202857t","","x-ray","1.54184","CuKα","","0.0767","0.0501","","","0.1233","0.1373","","","","","","0.923","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503493","11.8807","0.001","19.0098","0.0016","8.062","0.0007","90","","90","","90","","1820.8","0.3","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou","Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives.","Organic letters","2012","14","2","448","451","10.1021/ol202877m","","","0.71073","MoKα","","0.0628","0.0531","","","0.1242","0.1297","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503494","6.1676","0.0009","13.819","0.002","26.298","0.004","90","","90","","90","","2241.4","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","- C100 H108 N12 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou","Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives.","Organic letters","2012","14","2","448","451","10.1021/ol202877m","","","0.71073","MoKα","","0.1173","0.0561","","","0.1179","0.1533","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503495","5.7843","0.0007","21.111","0.003","21.215","0.003","90","","90","","90","","2590.6","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N3 O4 -","- C25 H26 Br N3 O4 -","- C100 H104 Br4 N12 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou","Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives.","Organic letters","2012","14","2","448","451","10.1021/ol202877m","","","0.71073","MoKα","","0.0863","0.0526","","","0.1334","0.1466","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503496","8.5445","0.0006","13.2014","0.001","12.4279","0.0011","90","","102.815","0.002","90","","1366.94","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N3 -","- C16 H12 Cl N3 -","- C64 H48 Cl4 N12 -","4","1","","Wang, Xiaoqiang; Jin, Yunhe; Zhao, Yufen; Zhu, Lin; Fu, Hua","Copper-catalyzed aerobic oxidative intramolecular C-H amination leading to imidazobenzimidazole derivatives.","Organic letters","2012","14","2","452","455","10.1021/ol202884z","","","0.71073","MoKα","","0.049","0.041","","","0.085","0.0879","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503497","13.6228","0.0017","6.4397","0.0008","17.484","0.002","90","","95.313","0.002","90","","1527.2","0.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Adachi, Masaatsu; Higuchi, Keiko; Thasana, Nopporn; Yamada, Hitomi; Nishikawa, Toshio","Stereocontrolled synthesis of an indole moiety of sespendole and stereochemical assignment of the side chain.","Organic letters","2012","14","1","114","117","10.1021/ol202895u","","","0.71073","MoKα","","0.0953","0.069","","","0.1841","0.2037","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503498","30.0284","0.0004","30.0284","0.0004","9.5833","0.0002","90","","90","","120","","7483.6","0.2","293","2","293","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","","","- C15 H24 O3 Si -","- C15 H24 O3 Si -","- C270 H432 O54 Si18 -","18","1","","Bartoli, Alexandra; Chouraqui, Gaëlle; Parrain, Jean-Luc","Collective domino approach toward the core of molecules isolated from the genus Schisandra.","Organic letters","2012","14","1","122","125","10.1021/ol2029146","","x-ray","0.71073","MoKα","","0.0813","0.0516","","","0.1527","0.1925","","","","","","1.166","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503499","9.9429","0.0012","10.034","0.0013","19.916","0.002","90","","95.124","0.003","90","","1979","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N S -","- C25 H21 N S -","- C100 H84 N4 S4 -","4","1","","Hemming, Karl; Khan, Musharraf N.; Kondakal, Vishnu V. R.; Pitard, Arnaud; Qamar, M. Ilyas; Rice, Craig R.","Pyridines from azabicyclo[3.2.0]hept-2-en-4-ones through a proposed azacyclopentadienone.","Organic letters","2012","14","1","126","129","10.1021/ol202924s","","","0.71073","MoKα","","0.0799","0.0441","","","0.1013","0.1179","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503500","7.2587","0.0007","10.3598","0.001","16.6645","0.0016","90","","90","","90","","1253.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N3 O3 -","- C12 H10 Br N3 O3 -","- C48 H40 Br4 N12 O12 -","4","1","","Liu, Lu; Wu, Deyan; Zheng, Shu; Li, Tengfei; Li, Xiangmin; Wang, Sinan; Li, Jian; Li, Hao; Wang, Wei","Synthesis of highly functionalized chiral 3,3'-disubstituted oxindoles via an organocatalytic enantioselective Michael addition of nitroalkanes to indolylidenecyanoacetates.","Organic letters","2012","14","1","134","137","10.1021/ol202931e","","","0.71073","MoKα","","0.0519","0.0452","","","0.1124","0.1168","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503501","6.9954","0.0004","11.7795","0.0007","29.5906","0.0017","90","","90","","90","","2438.3","0.2","293","2","292","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bicyclo[4.2.0]octa-2,4-diene derivative","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Kim, Keunsoo; Lauher, Joseph W.; Parker, Kathlyn A.","Asymmetric induction in 8π electrocyclizations. Design of a removable chiral auxiliary.","Organic letters","2012","14","1","138","141","10.1021/ol202932x","","","0.7107","MoKα","","0.1397","0.0364","","","0.0624","0.075","","","","","","0.966","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503502","9.9252","0.0018","10.0516","0.0018","11.659","0.002","67.709","0.003","69.292","0.003","66.289","0.003","957.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C48 H46 N2 O4 -","2","1","","Fournier, Anne M.; Clayden, Jonathan","Tertiary alcohols by tandem β-carbolithiation and N→ C aryl migration in enol carbamates.","Organic letters","2012","14","1","142","145","10.1021/ol2029355","","","0.71073","MoKα","","0.1111","0.053","","","0.0721","0.0853","","","","","","0.883","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503503","9.807","0.004","23.295","0.01","21.312","0.009","90","","90.032","0.009","90","","4869","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O2 -","- C28 H33 N O2 -","- C224 H264 N8 O16 -","8","2","","Fournier, Anne M.; Clayden, Jonathan","Tertiary alcohols by tandem β-carbolithiation and N→ C aryl migration in enol carbamates.","Organic letters","2012","14","1","142","145","10.1021/ol2029355","","","0.71073","MoKα","","0.2003","0.0806","","","0.1116","0.1473","","","","","","0.905","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503504","16.897","0.003","7.9962","0.0012","14.334","0.002","90","","91.242","0.003","90","","1936.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl2 O2 -","- C23 H22 Cl2 O2 -","- C92 H88 Cl8 O8 -","4","1","","Sautier, Brice; Lyons, Sarah E.; Webb, Michael R.; Procter, David J.","Radical cyclization cascades of unsaturated Meldrum's acid derivatives.","Organic letters","2012","14","1","146","149","10.1021/ol2029367","","","0.71073","MoKα","","0.0475","0.0402","","","0.1043","0.108","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503505","11.3127","0.0012","11.5028","0.0012","17.0515","0.0018","76.16","0.002","74.987","0.002","81.589","0.002","2072.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Cl2 O3 -","- C24 H24 Cl2 O3 -","- C96 H96 Cl8 O12 -","4","2","","Sautier, Brice; Lyons, Sarah E.; Webb, Michael R.; Procter, David J.","Radical cyclization cascades of unsaturated Meldrum's acid derivatives.","Organic letters","2012","14","1","146","149","10.1021/ol2029367","","","0.71073","MoKα","","0.0529","0.044","","","0.1021","0.107","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503506","8.3674","0.0005","10.8816","0.001","28.719","0.002","90","","90","","90","","2614.9","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C120 H168 O20 -","4","1","","Farimani, M. Moridi; Taheri, Salman; Ebrahimi, Samad N.; Bahadori, M. Babak; Khavasi, Hamid R.; Zimmermann, Stefanie; Brun, Reto; Hamburger, Matthias","Hydrangenone, a new isoprenoid with an unprecedented skeleton from Salvia hydrangea.","Organic letters","2012","14","1","166","169","10.1021/ol202953b","","","0.71073","MoKα","","0.1237","0.0691","","","0.109","0.1231","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503507","8.1046","0.0008","16.1014","0.0015","16.2436","0.0016","80.001","0.001","82.991","0.001","83.36","0.001","2062.2","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","dinaphthylsilanediol with diethyl ether solvate","","","- C24 H26 O3 Si -","- C24 H26 O3 Si -","- C96 H104 O12 Si4 -","4","2","","Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.","Cooperative hydrogen-bonding effects in silanediol catalysis.","Organic letters","2012","14","1","186","189","10.1021/ol202971m","","","0.71073","MoKα","","0.0497","0.0378","","","0.0985","0.1078","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503508","9.389","0.003","19.374","0.006","8.611","0.003","90","","93.933","0.004","90","","1562.7","0.9","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dinaphthylsilanediol","","","- C20 H16 O2 Si -","- C20 H16 O2 Si -","- C80 H64 O8 Si4 -","4","1","","Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.","Cooperative hydrogen-bonding effects in silanediol catalysis.","Organic letters","2012","14","1","186","189","10.1021/ol202971m","","","0.71073","MoKα","","0.0585","0.036","","","0.0829","0.0961","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503509","22.06","0.0019","6.295","0.0006","34.93","0.003","90","","90","","90","","4850.6","0.7","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[5-Azido-10,20-diphenylporphyrinato]nickel(II)","","- C32 H19 N7 Ni -","- C32 H19 N7 Ni -","- C256 H152 N56 Ni8 -","8","1","","Yamashita, Ken-ichi; Kataoka, Kazuyuki; Asano, Motoko S.; Sugiura, Ken-ichi","Catalyst-free aromatic nucleophilic substitution of meso-bromoporphyrins with azide anion: efficient synthesis and structural analyses of meso-azidoporphyrins.","Organic letters","2012","14","1","190","193","10.1021/ol202973z","","","0.71073","MoKα","","0.0854","0.0555","","","0.1243","0.1384","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503510","19.929","0.004","17.419","0.003","7.3381","0.0014","90","","93.911","0.004","90","","2541.4","0.8","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[5,15-Diazido-10,20-diphenylporphyrinato]nickel(II)","","- C32 H18 N10 Ni -","- C32 H18 N10 Ni -","- C128 H72 N40 Ni4 -","4","1","","Yamashita, Ken-ichi; Kataoka, Kazuyuki; Asano, Motoko S.; Sugiura, Ken-ichi","Catalyst-free aromatic nucleophilic substitution of meso-bromoporphyrins with azide anion: efficient synthesis and structural analyses of meso-azidoporphyrins.","Organic letters","2012","14","1","190","193","10.1021/ol202973z","","","0.71073","MoKα","","0.0963","0.0565","","","0.1488","0.1854","","","","","","0.825","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503511","15.131","0.008","11.066","0.005","19.286","0.009","90","","101.158","0.008","90","","3168","3","153","","153","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H80 Cl2 Cu2 N4 O3 P2 -","- C63.3568 H80 Cl2 Cu2 N4 O2.788 P2 -","- C126.714 H160 Cl4 Cu4 N8 O5.576 P4 -","2","1","","Osako, Takao; Panichakul, Duanghathai; Uozumi, Yasuhiro","Enantioselective carbenoid insertion into phenolic O-H bonds with a chiral copper(I) imidazoindolephosphine complex.","Organic letters","2012","14","1","194","197","10.1021/ol202977j","","","0.7107","MoKα","","","0.0576","","","","0.1123","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503512","9.4821","0.0005","9.8407","0.0005","12.7059","0.0007","71.701","0.002","75.391","0.002","79.222","0.002","1081.72","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O11 -","- C24 H20 O11 -","- C48 H40 O22 -","2","1","","Gidron, Ori; Shimon, Linda J. W.; Leitus, Gregory; Bendikov, Michael","Reactivity of long conjugated systems: selectivity of Diels-Alder cycloaddition in oligofurans.","Organic letters","2012","14","2","502","505","10.1021/ol202987e","","","0.71073","MoKα","","0.0496","0.0386","","","0.1044","0.1121","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503513","6.0151","0.0012","10.963","0.002","20.032","0.004","90","","90","","90","","1321","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O5 -","- C16 H11 N O5 -","- C64 H44 N4 O20 -","4","1","","Gidron, Ori; Shimon, Linda J. W.; Leitus, Gregory; Bendikov, Michael","Reactivity of long conjugated systems: selectivity of Diels-Alder cycloaddition in oligofurans.","Organic letters","2012","14","2","502","505","10.1021/ol202987e","","","0.71073","MoKα","","0.0562","0.0381","","","0.0846","0.0926","","","","","","1.093","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503514","5.8327","0.0001","10.1818","0.0002","33.8568","0.0008","90","","94.4233","0.0008","90","","2004.68","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","0.71073","MoKα","","0.0781","0.0593","","0.1481","0.1385","0.1481","","","","","","1.0178","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503515","9.9186","0.0003","13.6626","0.0005","15.7674","0.0005","109.51","0.003","92.589","0.003","104.121","0.003","1934.32","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H57 Cl N2 O3 -","- C42 H57 Cl N2 O3 -","- C84 H114 Cl2 N4 O6 -","2","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.5418","CuKα","","0.0653","0.062","","0.1774","0.1756","0.1774","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503516","11.68976","0.00018","14.9507","0.0002","18.3439","0.0003","90","","90","","90","","3205.97","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 N2 O2 -","- C38 H46 N2 O2 -","- C152 H184 N8 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.54184","CuKα","","0.0403","0.0365","","0.0936","0.0894","0.0936","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503517","17.6291","0.0003","11.7882","0.0002","18.3855","0.0004","90","","116.637","0.0009","90","","3415.28","0.11","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 N2 O2 -","- C39 H48 N2 O2 -","- C156 H192 N8 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","0.71073","MoKα","","0.0723","0.0534","","0.138","0.1252","0.1378","","","","","","0.9928","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503518","17.711","0.0006","12.0009","0.0004","18.5046","0.0006","90","","116.31","0.0014","90","","3525.7","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 N2 O2 -","- C41 H52 N2 O2 -","- C164 H208 N8 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","0.71073","MoKα","","0.1713","0.0632","","0.1171","0.0627","0.0627","","","","","","1.1484","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503519","10.26594","0.00007","9.75883","0.00008","17.96995","0.00014","90","","98.0805","0.0007","90","","1782.42","0.02","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H50 N2 O4 -","- C40 H50 N2 O4 -","- C80 H100 N4 O8 -","2","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.54184","CuKα","","0.0463","0.0456","","0.1336","0.1326","0.1336","","","","","","1.0828","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503520","13.5392","0.0006","6.7124","0.0004","20.4694","0.001","90","","90","","90","","1860.27","0.17","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H16 N2 O2 -","- C8 H16 N2 O2 -","- C64 H128 N16 O16 -","8","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.5418","CuKα","","0.0708","0.0608","","0.1994","0.1944","0.1994","","","","","","1.1802","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503521","27.33","0.003","5.2842","0.0005","14.3245","0.0014","90","","100.363","0.001","90","","2035","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","09204a","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Trost, Barry M.; Bringley, Dustin A.; Seng, Pamela S.","Enantioselective palladium-catalyzed [3 + 2] cycloadditions of trimethylenemethane with nitroalkenes.","Organic letters","2012","14","1","234","237","10.1021/ol2030179","","","0.71073","MoKα","","0.0511","0.0375","","","0.0856","0.0932","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503522","5.938","0.0001","7.9686","0.0002","27.9472","0.0006","90","","90","","90","","1322.39","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Trost, Barry M.; Bringley, Dustin A.; Seng, Pamela S.","Enantioselective palladium-catalyzed [3 + 2] cycloadditions of trimethylenemethane with nitroalkenes.","Organic letters","2012","14","1","234","237","10.1021/ol2030179","","","1.54178","CuKα","","0.0356","0.0318","","","0.0785","0.0808","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503523","8.3229","0.0013","9.1982","0.0015","16.957","0.002","78.594","0.016","85.87","0.02","89.47","0.02","1269.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18.18 Cl2.82 N3 O4 -","- C29 H18.182 Cl2.818 N3 O4 -","- C58 H36.364 Cl5.636 N6 O8 -","2","1","","Li, Chengjie; Zhang, Tianyi; Zeng, Zhe; Liu, Xiujun; Zhao, Yunfeng; Zhang, Bao; Feng, Yaqing","A new route to indazolone via amidation reaction of o-carboxyazobenzene.","Organic letters","2012","14","2","479","481","10.1021/ol203020x","","","0.71073","MoKα","","0.0874","0.0525","","","0.0878","0.1012","","","","","","0.989","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503524","7.678","0.006","11.164","0.009","18.619","0.013","95.269","0.017","95.202","0.015","107.487","0.014","1504","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 B F N2 O2 -","- C15 H18 B F N2 O2 -","- C60 H72 B4 F4 N8 O8 -","4","2","","Jiang, Xin-Dong; Zhang, Jian; Furuyama, Taniyuki; Zhao, Weili","Development of mono- and di-AcO substituted BODIPYs on the boron center.","Organic letters","2012","14","1","248","251","10.1021/ol2030229","","","0.71073","MoKα","","0.1226","0.0824","","","0.2179","0.2437","","","","","","1.183","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503525","15.8268","0.0002","14.2082","0.0003","8.8506","0.0002","90","","116.466","0.002","90","","1781.66","0.07","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H21 B N2 O4 -","- C17 H21 B N2 O4 -","- C68 H84 B4 N8 O16 -","4","0.5","","Jiang, Xin-Dong; Zhang, Jian; Furuyama, Taniyuki; Zhao, Weili","Development of mono- and di-AcO substituted BODIPYs on the boron center.","Organic letters","2012","14","1","248","251","10.1021/ol2030229","","","0.71073","MoKα","","0.1134","0.069","","","0.1944","0.2152","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503526","13.6242","0.0013","10.5606","0.001","14.0237","0.0013","90","","107.306","0.002","90","","1926.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","RH-4-34","","","- C21 H26 N2 O4 S -","- C21 H26 N2 O4 S -","- C84 H104 N8 O16 S4 -","4","1","","Hayashi, Ryuji; Ma, Zhi-Xiong; Hsung, Richard P.","A tandem 1,3-H-shift-6π-electrocyclization-cyclic 2-amido-diene intramolecular Diels-Alder cycloaddition approach to BCD-Ring of atropurpuran.","Organic letters","2012","14","1","252","255","10.1021/ol203030a","","","0.71073","MoKα","","0.0737","0.0499","","","0.1137","0.1296","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503527","7.7364","0.0003","11.3727","0.0005","10.3702","0.0005","90","","93.049","0.001","90","","911.12","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","11254a","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C40 H44 N4 O12 -","2","1","","Hayashi, Ryuji; Ma, Zhi-Xiong; Hsung, Richard P.","A tandem 1,3-H-shift-6π-electrocyclization-cyclic 2-amido-diene intramolecular Diels-Alder cycloaddition approach to BCD-Ring of atropurpuran.","Organic letters","2012","14","1","252","255","10.1021/ol203030a","","","0.71073","MoKα","","0.0306","0.0298","","","0.0751","0.0759","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503528","6.0812","0.0004","13.6176","0.0008","15.5864","0.0009","90","","90","","90","","1290.73","0.14","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Denmark, Scott E.; Burk, Matthew T.","Enantioselective bromocycloetherification by Lewis base/chiral Brønsted acid cooperative catalysis.","Organic letters","2012","14","1","256","259","10.1021/ol203033k","","","1.54178","CuKα","","0.0317","0.0305","","","0.0828","0.0838","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503529","6.152","0.0014","9.748","0.0013","26.381","0.004","90","","90","","90","","1582.1","0.5","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C80 H72 N8 -","4","1","","Broman, Søren Lindbæk; Petersen, Anne Ugleholdt; Tortzen, Christian Gregers; Vibenholt, Johan; Bond, Andrew D.; Nielsen, Mogens Brøndsted","A bis(heptafulvenyl)-dicyanoethylene thermoswitch with two sites for ring closure.","Organic letters","2012","14","1","318","321","10.1021/ol2030586","","","0.71073","MoKα","","0.0599","0.0456","","","0.1033","0.1104","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503530","6.9618","0.0006","14.5124","0.0012","8.2473","0.0007","90","","110.215","0.003","90","","781.92","0.12","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Azulenium ion","","","- C18 H11 B F4 N2 -","- C18 H11 B F4 N2 -","- C36 H22 B2 F8 N4 -","2","1","","Broman, Søren Lindbæk; Petersen, Anne Ugleholdt; Tortzen, Christian Gregers; Vibenholt, Johan; Bond, Andrew D.; Nielsen, Mogens Brøndsted","A bis(heptafulvenyl)-dicyanoethylene thermoswitch with two sites for ring closure.","Organic letters","2012","14","1","318","321","10.1021/ol2030586","","","0.71073","MoKα","","0.0421","0.0398","","","0.1039","0.1057","","","","","","1.049","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503531","7.9713","0.0004","11.856","0.0008","19.9106","0.0013","89.124","0.005","87.531","0.004","86.362","0.005","1876","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 F6 N O9 P -","- C30 H44 F6 N O9 P -","- C60 H88 F12 N2 O18 P2 -","2","1","","Zheng, Bo; Zhang, Mingming; Dong, Shengyi; Liu, Jiyong; Huang, Feihe","A benzo-21-crown-7/secondary ammonium salt [c2]daisy chain.","Organic letters","2012","14","1","306","309","10.1021/ol203062w","","","1.54184","CuKα","","0.0738","0.0528","","","0.1035","0.111","","","","","","1.018","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503532","7.7103","0.0003","13.3553","0.0004","11.7923","0.0004","90","","100.094","0.002","90","","1195.5","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","2","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0322","0.0308","","","0.0768","0.0782","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503533","9.1136","0.0006","11.9642","0.0008","13.0996","0.0008","90","","90","","90","","1428.34","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C48 H76 N4 O24 -","4","1","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0628","0.047","","","0.1203","0.1302","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503534","9.6167","0.0007","11.4223","0.0008","15.7554","0.0011","90","","90","","90","","1730.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 S -","- C14 H25 N O6 S -","- C56 H100 N4 O24 S4 -","4","1","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0659","0.0459","","","0.0958","0.1045","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503535","6.5524","0.0002","10.82","0.0003","28.23","0.0009","90","","90","","90","","2001.42","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O6 S -","- C17 H29 N O6 S -","- C68 H116 N4 O24 S4 -","4","1","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0575","0.0463","","","0.1095","0.1164","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503536","11.03","0.005","8.972","0.005","12.853","0.005","90","0.005","91.448","0.005","90","0.005","1271.5","1","291","2","291","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C26 H22 F N3 O4 S2 -","- C26 H22 F N3 O4 S2 -","- C52 H44 F2 N6 O8 S4 -","2","1","","Han, Yan-Yan; Chen, Wen-Bing; Han, Wen-Yong; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly efficient and stereoselective construction of dispiro-[oxazolidine-2-thione]bisoxindoles and dispiro[imidazolidine-2-thione]bisoxindoles.","Organic letters","2012","14","2","490","493","10.1021/ol203081x","","","0.71073","MoKα","","0.0354","0.0323","","","0.0844","0.0865","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503537","11.244","0.0002","19.7631","0.0003","13.6481","0.0002","90","","92.766","0.002","90","","3029.3","0.08","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 N4 O4 S2 -","- C33 H30 N4 O4 S2 -","- C132 H120 N16 O16 S8 -","4","1","","Han, Yan-Yan; Chen, Wen-Bing; Han, Wen-Yong; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly efficient and stereoselective construction of dispiro-[oxazolidine-2-thione]bisoxindoles and dispiro[imidazolidine-2-thione]bisoxindoles.","Organic letters","2012","14","2","490","493","10.1021/ol203081x","","","0.71073","MoKα","","0.0502","0.038","","","0.0893","0.0963","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503538","6.3","0.003","8.992","0.004","8.35","0.003","90","","94.468","0.007","90","","471.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O2 -","- C10 H11 Br O2 -","- C20 H22 Br2 O4 -","2","1","","Ginotra, Sandeep K.; Friest, Jacob A.; Berkowitz, David B.","Halocarbocyclization Entry into the Oxabicyclo[4.3.1]decyl Exomethylene-δ-Lactone Cores of Linearifolin and Zaluzanin A: Exploiting Combinatorial Catalysis.","Organic letters","2012","14","4","968","971","10.1021/ol203088g","","","0.71073","MoKα","","0.0443","0.0388","","","0.0866","0.0888","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503539","6.343","0.002","9.068","0.003","8.4","0.003","90","","94.432","0.005","90","","481.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O2 -","- C10 H11 Br O2 -","- C20 H22 Br2 O4 -","2","1","","Ginotra, Sandeep K.; Friest, Jacob A.; Berkowitz, David B.","Halocarbocyclization Entry into the Oxabicyclo[4.3.1]decyl Exomethylene-δ-Lactone Cores of Linearifolin and Zaluzanin A: Exploiting Combinatorial Catalysis.","Organic letters","2012","14","4","968","971","10.1021/ol203088g","","","0.71073","MoKα","","0.0721","0.0468","","","0.0957","0.1065","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503540","16.6297","0.0004","8.0075","0.0002","10.8932","0.0003","90","","91.258","0.001","90","","1450.21","0.06","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","tenuipyrone","","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","1","","Asai, Teigo; Chung, Yu-Ming; Sakurai, Hiroaki; Ozeki, Tomoji; Chang, Fang-Rong; Yamashita, Kouwa; Oshima, Yoshiteru","Tenuipyrone, a novel skeletal polyketide from the entomopathogenic fungus, Isaria tenuipes, cultivated in the presence of epigenetic modifiers.","Organic letters","2012","14","2","513","515","10.1021/ol203097b","","","1.54186","CuKα","","0.0248","0.0244","","","0.0643","0.0648","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503541","9.9868","0.0005","30.2095","0.0015","11.8887","0.0005","90","","90","","90","","3586.8","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","2,7-bis(4-methylbenzyl)thieno[2,3-c:5,4-c']dipyridine-2,7-diium hexafluorophosphate(V) tris-acetontrile solvate","","- C32 H33 F12 N5 P2 S -","- C32 H33 F12 N5 P2 S -","- C128 H132 F48 N20 P8 S4 -","4","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Yang, Songjie; Harrington, Ross W.","Spring open two-plus-two electron storage in a disulfide-strapped methyl viologen derivative.","Organic letters","2012","14","2","506","509","10.1021/ol203099h","","","0.71073","MoKα","","0.1392","0.072","","","0.1611","0.2031","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503542","6.1108","0.0005","11.5152","0.0008","12.9622","0.0009","90","","99.776","0.008","90","","898.87","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,7-dimethylthieno[2,3-c:5,4-c']dipyridine-2,7-diium hexafluorophosphate(V)","","- C12 H12 F12 N2 P2 S -","- C12 H12 F12 N2 P2 S -","- C24 H24 F24 N4 P4 S2 -","2","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Yang, Songjie; Harrington, Ross W.","Spring open two-plus-two electron storage in a disulfide-strapped methyl viologen derivative.","Organic letters","2012","14","2","506","509","10.1021/ol203099h","","","1.54178","CuKα","","0.0885","0.0775","","","0.1986","0.2081","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503543","12.3446","0.0006","7.2892","0.0003","10.3201","0.0005","90","","105.901","0.005","90","","893.09","0.07","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[1,2]dithiino[3,4-c:6,5-c']dipyridine","","- C10 H6 N2 S2 -","- C10 H6 N2 S2 -","- C40 H24 N8 S8 -","4","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Yang, Songjie; Harrington, Ross W.","Spring open two-plus-two electron storage in a disulfide-strapped methyl viologen derivative.","Organic letters","2012","14","2","506","509","10.1021/ol203099h","","","0.71073","MoKα","","0.0277","0.0247","","","0.0655","0.0662","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503544","13.4563","0.0017","16.559","0.002","20.379","0.003","90","","96.937","0.002","90","","4507.7","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 Cl N9 O7 -","- C43 H58 Cl N9 O7 -","- C172 H232 Cl4 N36 O28 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1568","0.0709","","","0.1696","0.2118","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503545","13.673","0.004","13.729","0.004","14.697","0.005","75.33","0.003","69.249","0.003","78.752","0.004","2478.8","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H58 Cl N9 O7 -","- C43 H22 Cl N9 O7 -","- C86 H44 Cl2 N18 O14 -","2","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1613","0.133","","","0.3715","0.4075","","","","","","1.533","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503546","19.8924","0.0018","18.594","0.0018","18.4455","0.0018","90","","90.145","0.002","90","","6822.6","1.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H100 Cl2 N12 O8 -","- C66 H77 Cl2 N12 O8 -","- C264 H308 Cl8 N48 O32 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.0906","0.0817","","","0.2391","0.2592","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503547","21.418","0.003","13.542","0.002","23.871","0.004","90","","112.779","0.002","90","","6383.6","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H80 Cl2 N14 O10 -","- C60 H60 Cl2 N14 O10 -","- C240 H240 Cl8 N56 O40 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1243","0.0779","","","0.2311","0.2732","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503548","13.469","0.002","13.882","0.002","24.624","0.004","85.928","0.002","86.382","0.002","71.005","0.002","4338.5","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H117 Cl2 N16 O10.5 -","- C80.75 H112 Cl2 N16 O10.25 -","- C161.5 H224 Cl4 N32 O20.5 -","2","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1409","0.0837","","","0.2521","0.3055","","","","","","1.025","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503549","20.36","0.003","14.2083","0.0018","26.254","0.003","90","","93.84","0.002","90","","7577.7","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H96 Cl2 N16 O10 -","- C72 H96 Cl2 N16 O10 -","- C288 H384 Cl8 N64 O40 -","4","1","","Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.","Organic letters","2012","14","3","684","687","10.1021/ol2031153","","","0.71073","MoKα","","0.1442","0.0598","","","0.157","0.2054","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503550","7.45","0.0003","8.4761","0.0004","10.9301","0.0004","111.384","0.002","90.97","0.003","110.979","0.002","591.39","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 Cl O3 -","- C12 H17 Cl O3 -","- C24 H34 Cl2 O6 -","2","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0407","0.0352","","","0.0975","0.1075","","","","","","1.122","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503551","10.0884","0.0004","10.8974","0.0006","14.8238","0.0007","90","","119.668","0.003","90","","1416.05","0.12","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cl O4 -","- C13 H21 Cl O4 -","- C52 H84 Cl4 O16 -","4","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0698","0.0492","","","0.114","0.1239","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503552","13.2969","0.0004","10.1697","0.0005","9.6831","0.0004","90","","105.662","0.002","90","","1260.79","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C52 H76 Cl4 O12 -","4","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0446","0.0376","","","0.097","0.1046","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503553","8.0876","0.0005","14.5181","0.0008","10.8895","0.0007","90","","122.497","0.004","90","","1078.4","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cl O2 -","- C11 H17 Cl O2 -","- C44 H68 Cl4 O8 -","4","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0583","0.0425","","","0.1015","0.1101","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503554","7.6705","0.0002","26.6937","0.0008","8.6661","0.0003","90","","120.88","0.002","90","","1522.88","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl O4 -","- C15 H23 Cl O4 -","- C60 H92 Cl4 O16 -","4","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0518","0.0421","","","0.1203","0.1339","","","","","","1.112","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503555","8.4807","0.0006","8.7173","0.0008","10.2127","0.0009","102.494","0.003","103.958","0.005","95.693","0.005","706.18","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Cl O4 -","- C13 H21 Cl O4 -","- C26 H42 Cl2 O8 -","2","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0883","0.0766","","","0.2421","0.2476","","","","","","1.234","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503556","8.109","0.0004","8.3193","0.0004","11.0227","0.0003","103.803","0.003","95.754","0.003","117.584","0.002","620.57","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C26 H38 Cl2 O6 -","2","1","","Ressault, Blandine; Jaunet, Alexis; Geoffroy, Philippe; Goudedranche, Sébastien; Miesch, Michel","Access to polyfunctionalized diquinanes, hydrindanes, and decalines via TiCl4 promoted Michael-aldol and Baylis-Hillman reactions.","Organic letters","2012","14","1","366","369","10.1021/ol203118t","","","0.71073","MoKα","","0.0416","0.0386","","","0.1183","0.121","","","","","","1.181","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503557","6.8265","0.0005","9.4699","0.0008","24.772","0.002","90","","90","","90","","1601.4","0.2","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 B N O4 S -","- C13 H28 B N O4 S -","- C52 H112 B4 N4 O16 S4 -","4","1","","De Vries, Timothy S.; Majumder, Supriyo; Sandelin, Angela M.; Wang, Guoqiang; Vedejs, Edwin","Mechanistic variations in ionic hydrogenation of unsaturated phosphine and amine boranes.","Organic letters","2012","14","3","688","691","10.1021/ol2031203","","","0.71073","MoKα","","0.0332","0.033","","","0.0892","0.0893","","","","","","1.171","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503558","7.0668","0.0011","17.519","0.004","24.193","0.004","90","","90","","90","","2995.2","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N5 O11 P -","- C26 H36 N5 O11 P -","- C104 H144 N20 O44 P4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Enantioselective Synthesis of Quaternary α-Aminophosphonates via Conjugate Addition of α-Nitrophosphonates to Enones (§).","Organic letters","2012","14","4","980","983","10.1021/ol203132h","","","0.71073","MoKα","","0.4075","0.0971","","","0.1366","0.2165","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503559","6.8478","0.0002","6.6488","0.0002","17.2236","0.0004","90","","90.252","0.001","90","","784.18","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O7 -","- C16 H17 N O7 -","- C32 H34 N2 O14 -","2","1","","Norsikian, Stéphanie; Soulé, Jean-François; Cannillo, Alexandre; Guillot, Régis; Dau, Marie-Elise Tran Huu; Beau, Jean-Marie","Remarkable stereoselectivity in intramolecular Borono-Mannich reactions: synthesis of conduramines.","Organic letters","2012","14","2","544","547","10.1021/ol203162s","","x-ray","0.71073","MoKα","","0.0485","0.0431","","","0.1125","0.1177","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503560","5.6131","0.0005","25.331","0.002","10.1079","0.0009","90","","91.766","0.002","90","","1436.5","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.1137","0.0648","","","0.1364","0.1568","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503561","16.7103","0.0015","11.6052","0.001","12.5938","0.0011","90","","90","","90","","2442.3","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","2","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.0602","0.0445","","","0.0918","0.0982","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503562","10.071","0.001","11.93","0.0012","13.1405","0.0013","76.838","0.002","83.588","0.002","71.284","0.002","1454.7","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H36 N4 -","- C30 H36 N4 -","- C60 H72 N8 -","2","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.1019","0.0673","","","0.168","0.184","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503563","8.627","0.008","21.841","0.008","9.936","0.005","90","","110.68","0.09","90","","1752","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O S -","- C17 H24 N2 O S -","- C68 H96 N8 O4 S4 -","4","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.2655","0.049","","","0.085","0.1175","","","","","","0.698","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503564","13.9875","0.0018","13.9875","0.0018","31.44","0.007","90","","90","","90","","6151.2","1.8","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C18 H22 N2 -","- C18 H22 N2 -","- C288 H352 N32 -","16","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.2735","0.0933","","","0.1229","0.1742","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503565","9.4161","0.0012","9.7498","0.0013","13.4677","0.0017","110.833","0.002","93.481","0.002","102.57","0.002","1114.9","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 N4 -","- C26 H28 N4 -","- C52 H56 N8 -","2","1","","Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.","Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.","Organic letters","2012","14","2","548","551","10.1021/ol203165x","","","0.71073","MoKα","","0.1118","0.0791","","","0.1416","0.1537","","","","","","1.17","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503566","8.3574","0.0008","9.8705","0.0009","11.1365","0.0012","82.181","0.001","81.74","0.001","85.669","0.002","899.22","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 F N O3 -","- C20 H20 F N O3 -","- C40 H40 F2 N2 O6 -","2","1","","Jiang, Bo; Li, Qiu-Yun; Zhang, Hao; Tu, Shu-Jiang; Pindi, Suresh; Li, Guigen","Efficient Domino Approaches to Multifunctionalized Fused Pyrroles and Dibenzo[b,e][1,4]diazepin-1-ones.","Organic letters","2012","14","3","700","703","10.1021/ol203166c","","","0.71073","MoKα","","0.1823","0.0746","","","0.1639","0.2286","","","","","","0.92","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503567","9.0334","0.0006","7.3253","0.0005","23.9981","0.0015","90","","99.161","0.001","90","","1567.76","0.18","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O5 -","- C19 H14 N2 O5 -","- C76 H56 N8 O20 -","4","1","","Iqbal, Javed; Tangellamudi, Neelima D.; Dulla, Balakrishna; Balasubramanian, Sridhar","Sequential C-N and C-O bond formation in a single pot: synthesis of 2H-benzo[b][1,4]oxazines from 2,5-dihydroxybenzaldehyde and amino acid precursors.","Organic letters","2012","14","2","552","555","10.1021/ol2031747","","","0.71073","MoKα","","0.036","0.0335","","","0.0911","0.0937","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503568","7.886","0.001","21.928","0.003","8.292","0.001","90","","114.76","0.02","90","","1302.1","0.4","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Guyonnet, Mathieu; Baudoin, Olivier","Synthesis of tricyclic nitrogen heterocycles by a sequence of palladium-catalyzed N-H and C(sp3)-H arylations.","Organic letters","2012","14","1","398","401","10.1021/ol2031763","","","0.7107","MoKα","","0.1042","0.0874","","0.1519","0.1408","0.1519","","","","","","0.9851","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503569","8.6577","0.0009","12.786","0.001","33.474","0.004","90","","90","","90","","3705.5","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C168 H160 N16 O40 -","8","2","","Guyonnet, Mathieu; Baudoin, Olivier","Synthesis of tricyclic nitrogen heterocycles by a sequence of palladium-catalyzed N-H and C(sp3)-H arylations.","Organic letters","2012","14","1","398","401","10.1021/ol2031763","","","1.5418","CuKα","","0.0442","0.0431","","0.1194","0.1179","0.1194","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503570","8.7624","0.0007","12.4446","0.0016","12.7515","0.001","101.367","0.009","109.546","0.008","102.862","0.009","1220.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 N2 O5 S0 -","- C29 H28 N2 O5 -","- C58 H56 N4 O10 -","2","1","","Wei, Ying; Lin, Shaoxia; Xue, Hongxun; Liang, Fushun; Zhao, Baozhong","Halonium-Initiated C-O Bond Formation via Umpolung of α-Carbon to the Carbonyl: Efficient Access to 5-Amino-3(2H)-furanones.","Organic letters","2012","14","3","712","715","10.1021/ol203183k","","","0.71073","MoKα","","0.0958","0.0536","","","0.1255","0.1509","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503571","21.4899","0.0013","39.043","0.002","16.3001","0.001","90","","100.915","0.001","90","","13428.9","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 F21 N6 O0 P4 Pt -","- C35 H34 F21 N6 P4 Pt -","- C280 H272 F168 N48 P32 Pt8 -","8","2","","López-Vidal, Eva M; Blanco, Víctor; García, Marcos D; Peinador, Carlos; Quintela, José M","Synthesis of platinum(II) metallocycles using microwave-assisted heating.","Organic letters","2012","14","2","580","583","10.1021/ol203191b","","","0.71073","MoKα","","0.0949","0.0722","","","0.1875","0.2015","","","","","","0.705","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503572","6.8563","0.0002","8.0054","0.0002","11.0535","0.0003","90","","102.385","0.001","90","","592.58","0.03","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H12 O5 -","- C13 H12 O5 -","- C26 H24 O10 -","2","1","","Liu, Yu; Ma, Shengming","Benzofurans or Isochromenes via the Ring-Opening Cyclization of Cyclopropene Derivatives with Organolithiums.","Organic letters","2012","14","3","720","723","10.1021/ol2032009","","","0.71073","MoKα","","0.0304","0.0299","","","0.0825","0.0834","","","","","","1.092","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503573","8.0662","0.0003","8.5553","0.0003","18.2403","0.0006","90","","90","","90","","1258.74","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Liu, Yu; Ma, Shengming","Benzofurans or Isochromenes via the Ring-Opening Cyclization of Cyclopropene Derivatives with Organolithiums.","Organic letters","2012","14","3","720","723","10.1021/ol2032009","","","0.71073","MoKα","","0.0342","0.031","","","0.0751","0.0775","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503574","17.309","0.005","16.096","0.005","8.0997","0.0016","90","","95.76","0.03","90","","2245.2","1.1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C42 H40 Cu2 F12 N8 P2 -","- C42 H40 Cu2 F12 N8 P2 -","- C84 H80 Cu4 F24 N16 P4 -","2","0.25","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.0911","0.053","","","0.1345","0.1619","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503575","8.8884","0.0018","12.195","0.002","14.334","0.003","109.96","0.03","105.4","0.03","97.38","0.03","1366.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Co F6 N6 O5 P -","- C24 H18 Co F6 N6 O5 P -","- C48 H36 Co2 F12 N12 O10 P2 -","2","1","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.1831","0.0856","","","0.1527","0.2116","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503576","10.164","0.002","15.148","0.003","31.248","0.006","90","","90","","90","","4811.1","1.6","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C42 H48 N12 Ni2 O16 -","- C42 H48 N12 Ni2 O16 -","- C168 H192 N48 Ni8 O64 -","4","0.5","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.0651","0.0454","","","0.1243","0.1454","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503577","7.9975","0.0016","19.899","0.004","13.827","0.003","90","","100.76","0.03","90","","2161.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Ag2 N10 O8 -","- C42 H44 Ag2 N10 O8 -","- C84 H88 Ag4 N20 O16 -","2","0.5","","Pandey, Rampal; Gupta, Rakesh Kumar; Li, Pei-Zhou; Xu, Qiang; Misra, Arvind; Pandey, Daya Shankar","Photoassisted ""gate-lock"" fluorescence ""turn-on"" in a new Schiff base and coordination ability of E-Z isomers.","Organic letters","2012","14","2","592","595","10.1021/ol2032043","","","0.71073","MoKα","","0.192","0.0709","","","0.1273","0.1661","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503578","10.8194","0.0009","8.4261","0.0007","20.2679","0.0017","90","","97.113","0.005","90","","1833.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N -","- C23 H25 N -","- C92 H100 N4 -","4","1","","Laouiti, Anouar; Rammah, Mohamed M.; Rammah, Mohamed B.; Marrot, Jérome; Couty, François; Evano, Gwilherm","Copper-catalyzed oxidative alkynylation of diaryl imines with terminal alkynes: a facile synthesis of ynimines.","Organic letters","2012","14","1","6","9","10.1021/ol2032152","","","0.71073","MoKα","","0.0989","0.0526","","","0.1429","0.1696","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503579","10.1859","0.0008","19.9122","0.0019","16.1404","0.0015","90","","94.415","0.004","90","","3263.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 F2 N2 -","- C43 H32 F2 N2 -","- C172 H128 F8 N8 -","4","1","","Laouiti, Anouar; Rammah, Mohamed M.; Rammah, Mohamed B.; Marrot, Jérome; Couty, François; Evano, Gwilherm","Copper-catalyzed oxidative alkynylation of diaryl imines with terminal alkynes: a facile synthesis of ynimines.","Organic letters","2012","14","1","6","9","10.1021/ol2032152","","","0.71073","MoKα","","0.1028","0.0494","","","0.0989","0.1187","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503580","7.601","0.003","12.967","0.005","13.991","0.005","90","","90","","90","","1379","0.9","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Seki, Tomoaki; Tanaka, Shinji; Kitamura, Masato","Enantioselective synthesis of pyrrolidine-, piperidine-, and azepane-type N-heterocycles with α-alkenyl substitution: the CpRu-catalyzed dehydrative intramolecular N-allylation approach.","Organic letters","2012","14","2","608","611","10.1021/ol203218d","","","0.7107","MoKα","","","0.0318","","","","0.099","","","","","","0.471","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503581","7.521","0.002","16.456","0.005","23.063","0.007","90","","90","","90","","2854.4","1.4","103","2","103","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 -","- C22 H14 -","- C176 H112 -","8","2","","Kawasumi, Katsuaki; Mochida, Kenji; Kajino, Tomonori; Segawa, Yasutomo; Itami, Kenichiro","Pd(OAc)2/o-chloranil/M(OTf)n: a catalyst for the direct C-H arylation of polycyclic aromatic hydrocarbons with boryl-, silyl-, and unfunctionalized arenes.","Organic letters","2012","14","1","418","421","10.1021/ol203235w","","","0.7107","MoKα","","0.1377","0.0974","","","0.2133","0.2403","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503582","9.587","0.004","6.368","0.002","27.417","0.011","90","","96.254","0.006","90","","1663.8","1.1","103","2","103","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Kawasumi, Katsuaki; Mochida, Kenji; Kajino, Tomonori; Segawa, Yasutomo; Itami, Kenichiro","Pd(OAc)2/o-chloranil/M(OTf)n: a catalyst for the direct C-H arylation of polycyclic aromatic hydrocarbons with boryl-, silyl-, and unfunctionalized arenes.","Organic letters","2012","14","1","418","421","10.1021/ol203235w","","","0.7107","MoKα","","0.1623","0.0909","","","0.214","0.2694","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503583","11.241","0.004","6.823","0.002","11.298","0.004","90","","117.314","0.004","90","","769.9","0.4","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Xu, Silong; Chen, Rongshun; Qin, Zifeng; Wu, Guiping; He, Zhengjie","Divergent amine-catalyzed [4 + 2] annulation of morita-baylis-hillman allylic acetates with electron-deficient alkenes.","Organic letters","2012","14","4","996","999","10.1021/ol2032569","","","0.71073","MoKα","","0.0387","0.0291","","","0.0559","0.0576","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503584","10.852","0.003","13.438","0.004","18.449","0.004","90","","104.594","0.009","90","","2603.6","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br N O -","- C15 H12 Br N O -","- C120 H96 Br8 N8 O8 -","8","2","","Li, Bin; Ma, Jianfeng; Wang, Nuancheng; Feng, Huiliang; Xu, Shansheng; Wang, Baiquan","Ruthenium-catalyzed oxidative C-h bond olefination of N-methoxybenzamides using an oxidizing directing group.","Organic letters","2012","14","3","736","739","10.1021/ol2032575","","","0.71073","MoKα","","0.0873","0.0548","","","0.1226","0.1376","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503585","10.299","0.003","8.974","0.003","12.702","0.004","90","","95.653","0.005","90","","1168.3","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Li, Bin; Ma, Jianfeng; Wang, Nuancheng; Feng, Huiliang; Xu, Shansheng; Wang, Baiquan","Ruthenium-catalyzed oxidative C-h bond olefination of N-methoxybenzamides using an oxidizing directing group.","Organic letters","2012","14","3","736","739","10.1021/ol2032575","","","0.71073","MoKα","","0.056","0.043","","","0.0999","0.1068","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503586","6.4053","0.0005","15.8952","0.0013","13.1993","0.0011","90","","101.104","0.007","90","","1318.71","0.19","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Mahendar, Lodi; Krishna, Jonnada; Reddy, Alavala Gopi Krishna; Ramulu, Bokka Venkat; Satyanarayana, Gedu","A domino palladium-catalyzed C-C and C-O bonds formation via dual O-H bond activation: synthesis of 6,6-dialkyl-6H-benzo[c]chromenes.","Organic letters","2012","14","2","628","631","10.1021/ol2032625","","","1.5418","CuKα","","0.0694","0.0577","","","0.1804","0.2037","","","","","","1.501","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503587","7.0822","0.0007","12.7318","0.001","17.576","0.0014","90","","90","","90","","1584.8","0.2","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C76 H88 O12 -","4","1","","Mahendar, Lodi; Krishna, Jonnada; Reddy, Alavala Gopi Krishna; Ramulu, Bokka Venkat; Satyanarayana, Gedu","A domino palladium-catalyzed C-C and C-O bonds formation via dual O-H bond activation: synthesis of 6,6-dialkyl-6H-benzo[c]chromenes.","Organic letters","2012","14","2","628","631","10.1021/ol2032625","","","1.5418","CuKα","","0.0996","0.0928","","","0.3066","0.3088","","","","","","2.264","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503588","19.5308","0.0011","10.1952","0.0006","24.8108","0.0014","90","","90","","90","","4940.3","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N2 O4 S -","- C27.96 H27.91 N2 O4 S -","- C223.68 H223.28 N16 O32 S8 -","8","1","","Wang, Liang; Guo, Wei; Zhang, Xiao-Xiao; Xia, Xu-Dong; Xiao, Wen-Jing","Synthesis of Indolo [1,2-a]Quinoxalines via a Pd-Catalyzed Regioselective C-H Olefination/Cyclization Sequence.","Organic letters","2012","14","3","740","743","10.1021/ol203275b","","","0.71073","MoKα","","0.0755","0.0633","","","0.1329","0.1376","","","","","","1.198","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503589","6.6099","0.0013","10.144","0.002","14.147","0.003","102.26","0.03","92.21","0.03","99.96","0.03","910.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Cl N2 O3 -","- C22 H15 Cl N2 O3 -","- C44 H30 Cl2 N4 O6 -","2","1","","Li, Yang; Zhang, Xi-Sha; Chen, Kang; He, Ke-Han; Pan, Fei; Li, Bi-Jie; Shi, Zhang-Jie","N-Directing group assisted rhodium-catalyzed aryl C-H addition to aryl aldehydes.","Organic letters","2012","14","2","636","639","10.1021/ol2032784","","","0.71073","MoKα","","0.0558","0.0507","","","0.1171","0.1246","","","","","","1.166","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503590","16.142","0.003","8.118","0.004","20.461","0.006","90","","97.661","0.006","90","","2657.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl N2 O2 -","- C13 H15 Cl N2 O2 -","- C104 H120 Cl8 N16 O16 -","8","2","","Xiang, Dexuan; Xin, Xiaoqing; Liu, Xu; Zhang, Rui; Yang, Jiming; Dong, Dewen","Regioselective synthesis of 3-arylamino- and 5-arylaminoisoxazoles from enaminones.","Organic letters","2012","14","2","644","647","10.1021/ol203282h","","","0.71069","MoKα","","0.0954","0.0557","","","0.1171","0.1352","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503591","3.7429","0.0008","15.815","0.003","13.99","0.003","90","","93.947","0.014","90","","826.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 -","- C26 H12 N4 -","- C52 H24 N8 -","2","0.5","","Fan, Jian; Zhang, Lei; Briseno, Alejandro L.; Wudl, Fred","Synthesis and characterization of 7,8,15,16-tetraazaterrylene.","Organic letters","2012","14","4","1024","1026","10.1021/ol203285n","","","0.71073","MoKα","","0.0571","0.0443","","","0.1219","0.1313","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503592","10.9498","0.0002","10.9498","0.0002","77.5761","0.0019","90","","90","","120","","8055.1","0.3","240","2","240","2","","","","","","","","6","P 61","P 61","169","","","","- C23.5 H33 Cl I N O6 -","- C23.5 H33 Cl I N O6 -","- C282 H396 Cl12 I12 N12 O72 -","12","2","","Fairhurst, Nathan W. G.; Mahon, Mary F.; Munday, Rachel H.; Carbery, David R.","Remote stereocontrol in [3,3]-sigmatropic rearrangements: application to the total synthesis of the immunosuppressant mycestericin g.","Organic letters","2012","14","3","756","759","10.1021/ol203300k","","","1.54184","CuKα","","0.0533","0.0498","","","0.1255","0.1283","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503593","11.8866","0.0008","15.5331","0.001","7.554","0.0005","90","","104.626","0.001","90","","1349.54","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Organic","Organic","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Xu, Xinfang; Shabashov, Dmitry; Zavalij, Peter Y.; Doyle, Michael P.","Unexpected Catalytic Reactions of Silyl-Protected Enol Diazoacetates with Nitrile Oxides That Form 5-Arylaminofuran-2(3H)-one-4-carboxylates.","Organic letters","2012","14","3","800","803","10.1021/ol203331r","","","0.71073","MoKα","","0.0442","0.0407","","","0.08","0.0816","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503594","15.1773","0.0009","9.148","0.0006","16.963","0.001","90","","94.546","0.001","90","","2347.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Organic","Organic","","- C21 H33 N O5 Si -","- C21 H33 N O5 Si -","- C84 H132 N4 O20 Si4 -","4","1","","Xu, Xinfang; Shabashov, Dmitry; Zavalij, Peter Y.; Doyle, Michael P.","Unexpected Catalytic Reactions of Silyl-Protected Enol Diazoacetates with Nitrile Oxides That Form 5-Arylaminofuran-2(3H)-one-4-carboxylates.","Organic letters","2012","14","3","800","803","10.1021/ol203331r","","","0.71073","MoKα","","0.0489","0.0381","","","0.0729","0.0762","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503595","8.6741","0.0004","12.0321","0.0005","19.0097","0.0008","96.795","0.002","102.509","0.002","99.276","0.002","1887.24","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","2 in manuscript","","","- C39 H49 N5 O Si2 -","- C39 H49 N5 O Si2 -","- C78 H98 N10 O2 Si4 -","2","1","","Engelhart, Jens U.; Lindner, Benjamin D.; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.","Large azaacenes: pyridine rings reacting like carbonyl groups.","Organic letters","2012","14","4","1008","1011","10.1021/ol203334u","","","0.71073","MoKα","","0.0861","0.0546","","","0.1348","0.1521","","","","","","1.027","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503596","8.7703","0.0002","9.2477","0.0002","12.0469","0.0003","100.055","0.001","102.351","0.002","115.531","0.001","820.86","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C34 H42 N2 O10 -","2","1","","Boyce, Gregory R.; Liu, Shubin; Johnson, Jeffrey S.","Construction of cyclopentanol derivatives via three-component coupling of silyl glyoxylates, acetylides, and nitroalkenes.","Organic letters","2012","14","2","652","655","10.1021/ol2033527","","","1.54178","CuKα","","0.0411","0.0381","","","0.1039","0.1073","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503597","9.6171","0.0002","12.0518","0.0003","12.9794","0.0003","69.417","0.002","87.631","0.001","73.582","0.002","1348.08","0.06","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C52 H82 N2 O10 Si2 -","2","1","","Boyce, Gregory R.; Liu, Shubin; Johnson, Jeffrey S.","Construction of cyclopentanol derivatives via three-component coupling of silyl glyoxylates, acetylides, and nitroalkenes.","Organic letters","2012","14","2","652","655","10.1021/ol2033527","","","1.54178","CUKα","","0.07","0.0592","","","0.1534","0.1644","","","","","","1.037","","","","has coordinates,has disorder","301775","2025-08-18","14:01:19",""
"1503598","16.5126","0.0011","6.9927","0.0005","20.1398","0.0013","90","","112.999","0.001","90","","2140.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Me_Oki_D_1115","","","- C24 H34 O4 -","- C24 H34 O4 -","- C96 H136 O16 -","4","1","","Niu, Dawen; Hoye, Thomas R.","A concise total synthesis of (±)- and (-)-okilactomycin d.","Organic letters","2012","14","3","828","831","10.1021/ol203355g","","","0.71073","MoKα","","0.0749","0.0442","","","0.1065","0.1299","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503599","10.1195","0.0005","13.0223","0.0006","16.5396","0.0007","90","","103.812","0.001","90","","2116.55","0.17","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 O4 -","- C24 H34 O4 -","- C96 H136 O16 -","4","1","","Niu, Dawen; Hoye, Thomas R.","A concise total synthesis of (±)- and (-)-okilactomycin d.","Organic letters","2012","14","3","828","831","10.1021/ol203355g","","","0.71073","MoKα","","0.0437","0.0386","","","0.1028","0.1078","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503600","7.9894","0.0002","11.0136","0.0002","14.6649","0.0003","90.994","0.001","105.668","0.001","103.389","0.001","1204.27","0.05","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H23 I N2 O8 -","- C23 H23 I N2 O8 -","- C46 H46 I2 N4 O16 -","2","2","","Shan, Mingde; Kishi, Yoshito","Concise and highly stereoselective synthesis of the C20-C26 building block of halichondrins and Eribulin","Organic Letters","2012","14","2","660","663","10.1021/ol203373d","","","0.71073","MoKα","","0.0489","0.036","","","0.0479","0.0505","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503601","5.9241","0.0006","15.5212","0.0015","18.2461","0.0017","90","","90","","90","","1677.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl O3 -","- C21 H17 Cl O3 -","- C84 H68 Cl4 O12 -","4","1","","Liu, Guansai; Wilkerson, Phillip D.; Toth, Christopher A.; Xu, Hao","Highly enantioselective cyclizations of conjugated trienes with low catalyst loadings: a robust chiral N-heterocyclic carbene enabled by acetic Acid cocatalyst.","Organic letters","2012","14","3","858","861","10.1021/ol203375y","","","0.71073","MoKα","","0.0277","0.0268","","","0.0719","0.0726","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503602","10.2548","0.0011","13.2868","0.0015","14.5076","0.0016","112.753","0.002","97.302","0.002","92.737","0.002","1797.9","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.75 H15 B0.5 Cl2 F N -","- C21.75 H15 B0.5 Cl2 F N -","- C87 H60 B2 Cl8 F4 N4 -","4","2","","Hayashi, Yosuke; Obata, Naoki; Tamaru, Masatomo; Yamaguchi, Shigeru; Matsuo, Yutaka; Saeki, Akinori; Seki, Shu; Kureishi, Yuka; Saito, Shohei; Yamaguchi, Shigehiro; Shinokubo, Hiroshi","Facile Synthesis of Biphenyl-Fused BODIPY and Its Property.","Organic letters","2012","14","3","866","869","10.1021/ol2033916","","","0.71073","MoKα","","0.0974","0.0895","","","0.2053","0.2109","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503603","16.0215","0.0015","11.2646","0.0011","7.0956","0.0007","90","","90","","90","","1280.6","0.2","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","5,14-dihydro-1,4,5,14-tetraazapentacene","","- C18 H12 N4 -","- C18 H12 N4 -","- C72 H48 N16 -","4","0.5","","He, Zikai; Liu, Danqing; Mao, Renxin; Tang, Qin; Miao, Qian","Hydrogen-bonded dihydrotetraazapentacenes.","Organic letters","2012","14","4","1050","1053","10.1021/ol203404q","","","0.71073","MoKα","","0.0691","0.0444","","","0.1211","0.1424","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503604","7.5446","0.0005","7.8619","0.0006","16.904","0.0012","78.243","0.002","89.12","0.002","79.67","0.002","965.48","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6,13-bis((triisopropylsilyl)ethynyl)-5,14-dihydro-1,4,5,14-tetraazapentacene","","- C40 H52 N4 Si2 -","- C40 H52 N4 Si2 -","- C40 H52 N4 Si2 -","1","0.5","","He, Zikai; Liu, Danqing; Mao, Renxin; Tang, Qin; Miao, Qian","Hydrogen-bonded dihydrotetraazapentacenes.","Organic letters","2012","14","4","1050","1053","10.1021/ol203404q","","","0.71073","MoKα","","0.0945","0.0705","","","0.1986","0.2208","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503605","9.815","0.001","11.972","0.001","24.772","0.003","90","","90","","90","","2910.8","0.5","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C112 H184 N8 O32 -","8","2","","André, Christophe; Legrand, Baptiste; Deng, Cheng; Didierjean, Claude; Pickaert, Guillaume; Martinez, Jean; Averlant-Petit, Marie Christine; Amblard, Muriel; Calmes, Monique","(S)-ABOC: A Rigid Bicyclic β-Amino Acid as Turn Inducer.","Organic letters","2012","14","4","960","963","10.1021/ol203406v","","x-ray","0.71073","MoKα","","0.0956","0.0502","","","0.0911","0.109","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503606","10.7803","0.0004","9.3194","0.0004","15.7897","0.0006","90","","107.214","0.003","90","","1515.27","0.11","110","2","110","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C32 H42 N4 O5 -","- C32 H42 N4 O5 -","- C64 H84 N8 O10 -","2","1","","André, Christophe; Legrand, Baptiste; Deng, Cheng; Didierjean, Claude; Pickaert, Guillaume; Martinez, Jean; Averlant-Petit, Marie Christine; Amblard, Muriel; Calmes, Monique","(S)-ABOC: A Rigid Bicyclic β-Amino Acid as Turn Inducer.","Organic letters","2012","14","4","960","963","10.1021/ol203406v","","x-ray","0.71073","MoKα","","0.0465","0.0422","","","0.0922","0.0954","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503607","10.1761","0.0003","16.4292","0.0003","16.8698","0.0005","90","","98.939","0.001","90","","2786.13","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 Co O2 -","- C37 H31 Co O2 -","- C148 H124 Co4 O8 -","4","1","","Cassar, Doyle J.; Nagaradja, Elisabeth; Butler, David C. D.; Villemin, Didier; Richards, Christopher J.","Regioselective, Stereoselective, and Conformationally Controlled Synthesis of (η(4)-Tetraarylcyclobutadiene)(η(5)-carbomethoxycyclopentadienyl)cobalt Metallocenes.","Organic letters","2012","14","3","894","897","10.1021/ol203415r","","","0.71073","MoKα","","0.0702","0.0442","","","0.0928","0.1033","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503608","11.0108","0.0003","14.7106","0.0004","19.4035","0.0005","90","","90.016","0.001","90","","3142.89","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 Co O2 -","- C41 H39 Co O2 -","- C164 H156 Co4 O8 -","4","1","","Cassar, Doyle J.; Nagaradja, Elisabeth; Butler, David C. D.; Villemin, Didier; Richards, Christopher J.","Regioselective, Stereoselective, and Conformationally Controlled Synthesis of (η(4)-Tetraarylcyclobutadiene)(η(5)-carbomethoxycyclopentadienyl)cobalt Metallocenes.","Organic letters","2012","14","3","894","897","10.1021/ol203415r","","","0.71075","MoKα","","0.0371","0.0353","","","0.098","0.1009","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503609","15.6147","0.0003","15.2102","0.0004","19.6534","0.0005","90","","94.109","0.001","90","","4655.74","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H43 Co O6 -","- C63 H43 Co O6 -","- C252 H172 Co4 O24 -","4","1","","Cassar, Doyle J.; Nagaradja, Elisabeth; Butler, David C. D.; Villemin, Didier; Richards, Christopher J.","Regioselective, Stereoselective, and Conformationally Controlled Synthesis of (η(4)-Tetraarylcyclobutadiene)(η(5)-carbomethoxycyclopentadienyl)cobalt Metallocenes.","Organic letters","2012","14","3","894","897","10.1021/ol203415r","","","0.71075","MoKα","","0.0845","0.0593","","","0.119","0.1447","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503610","8.9698","0.0018","18.143","0.004","9.6888","0.0019","90","","91.91","0.03","90","","1575.9","0.6","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 -","- C22 H18 -","- C88 H72 -","4","1","","Zhou, Lei; Ye, Fei; Zhang, Yan; Wang, Jianbo","Cyclopropylmethyl palladium species from carbene migratory insertion: new routes to 1,3-butadienes.","Organic letters","2012","14","3","922","925","10.1021/ol2034405","","","0.71073","MoKα","","0.0794","0.0713","","","0.1777","0.1894","","","","","","1.291","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503611","12.7522","0.0009","7.1242","0.0005","13.8104","0.001","90","","110.072","0.001","90","","1178.46","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 N3 O3 -","- C28 H27 N3 O3 -","- C56 H54 N6 O6 -","2","1","","Paul, Bishwajit; Butterfoss, Glenn L.; Boswell, Mikki G.; Huang, Mia L.; Bonneau, Richard; Wolf, Christian; Kirshenbaum, Kent","N-naphthyl peptoid foldamers exhibiting atropisomerism.","Organic letters","2012","14","3","926","929","10.1021/ol203452f","","","0.71073","MoKα","","0.0465","0.0357","","","0.0786","0.084","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503612","11.2179","0.0013","9.3563","0.0011","23.908","0.003","90","","102.239","0.002","90","","2452.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H52 N6 O6.35 -","- C56 H52 N6 O6.352 -","- C112 H104 N12 O12.704 -","2","0.5","","Paul, Bishwajit; Butterfoss, Glenn L.; Boswell, Mikki G.; Huang, Mia L.; Bonneau, Richard; Wolf, Christian; Kirshenbaum, Kent","N-naphthyl peptoid foldamers exhibiting atropisomerism.","Organic letters","2012","14","3","926","929","10.1021/ol203452f","","","0.71073","MoKα","","0.1017","0.091","","","0.2358","0.2416","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503613","8.533","0.004","12.505","0.005","14.664","0.006","72.58","0.007","77.245","0.006","78.328","0.006","1440.4","1.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H42 Br N O4 Si -","- C29 H42 Br N O4 Si -","- C58 H84 Br2 N2 O8 Si2 -","2","1","","Feldman, Ken S.; Antoline, Joshua F.","Allenyl azide cycloaddition chemistry: application to the total synthesis of (±)-meloscine.","Organic letters","2012","14","3","934","937","10.1021/ol203463n","","","0.71073","MoKα","","0.1186","0.0809","","","0.2359","0.2617","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503614","11.567","0.003","6.2104","0.0014","15.2","0.003","90","","105.426","0.003","90","","1052.6","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C32 H50 Cl6 N4 O10 -","2","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0613","0.0482","","","0.117","0.1253","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503615","9.3943","0.0008","9.5053","0.0008","10.3313","0.0009","84.826","0.001","72.368","0.001","65.433","0.001","798.93","0.12","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C28 H50 N2 O8 -","2","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0512","0.045","","","0.1234","0.1286","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503616","11.1228","0.0007","18.7458","0.0011","20.9423","0.0013","90","","90","","90","","4366.6","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C128 H200 Cl24 N16 O40 -","8","2","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0448","0.0391","","","0.1002","0.1049","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503617","9.8718","0.0007","10.072","0.0008","16.2663","0.0012","90","","90","","90","","1617.3","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C56 H100 N4 O20 -","4","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0553","0.0545","","","0.1793","0.1799","","","","","","1.211","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503618","11.21","0.006","18.823","0.009","20.925","0.01","90","","90","","90","","4415","4","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C128 H200 Cl24 N16 O40 -","8","2","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.113","0.0748","","","0.1418","0.1576","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503619","11.454","0.009","6.186","0.005","15.081","0.012","90","","105.582","0.012","90","","1029.3","1.4","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C32 H50 Cl6 N4 O10 -","2","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0778","0.071","","","0.1791","0.1875","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503620","6.03188","0.00017","12.4097","0.0004","25.1549","0.0006","90","","90","","90","","1882.94","0.09","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Kemppainen, Eeva K.; Sahoo, Gokarneswar; Valkonen, Arto; Pihko, Petri M.","Mukaiyama-Michael reactions with acrolein and methacrolein: a catalytic enantioselective synthesis of the c17-c28 fragment of pectenotoxins.","Organic letters","2012","14","4","1086","1089","10.1021/ol203486p","","","1.54184","CuKα","","0.0444","0.0373","","","0.0883","0.0914","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503621","28.568","0.007","6.3111","0.0016","7.901","0.003","90","","96.49","0.04","90","","1415.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Joshi, Megha; Tiwari, Rakesh; Verma, Akhilesh Kumar","Regioselective Preferential Nucleophilic Addition of N-Heterocycles onto Haloarylalkynes over N-Arylation of Aryl Halides.","Organic letters","2012","14","4","1106","1109","10.1021/ol203491p","","","0.71073","MoKα","","0.1571","0.1248","","","0.3341","0.3858","","","","","","1.28","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503622","10.964","0.004","10.964","0.004","13.249","0.005","90","","90","","90","","1592.7","1","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C17 H13 Cl O2 S -","- C17 H15 Cl O2 S -","- C68 H60 Cl4 O8 S4 -","4","1","","Ling, Jun-Bing; Su, Yu; Zhu, Hai-Liang; Wang, Guan-Yu; Xu, Peng-Fei","Hydrogen-bond-mediated cascade reaction involving chalcones: facile synthesis of enantioenriched trisubstituted tetrahydrothiophenes.","Organic letters","2012","14","4","1090","1093","10.1021/ol2034959","","","0.71073","MoKα","","0.0442","0.0416","","","0.1217","0.1262","","","","","","0.87","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503623","13.7792","0.0017","39.505","0.005","6.2897","0.0008","90","","90","","90","","3423.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","pallambin A","","","- C19 H22 O4 -","- C19 H22 O4 -","- C152 H176 O32 -","8","2","","Wang, Li-Ning; Zhang, Jiao-Zhen; Li, Xia; Wang, Xiao-Ning; Xie, Chun-Feng; Zhou, Jin-Chuan; Lou, Hong-Xiang","Pallambins A and B, Unprecedented Hexacyclic 19-nor-Secolabdane Diterpenoids from the Chinese Liverwort Pallavicinia ambigua.","Organic letters","2012","14","4","1102","1105","10.1021/ol3000124","","","0.71069","MoKα","","0.1445","0.0728","","","0.1814","0.2212","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503624","8.1441","0.0006","28.387","0.002","7.2652","0.0006","90","","90","","90","","1679.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","pallambin D","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Wang, Li-Ning; Zhang, Jiao-Zhen; Li, Xia; Wang, Xiao-Ning; Xie, Chun-Feng; Zhou, Jin-Chuan; Lou, Hong-Xiang","Pallambins A and B, Unprecedented Hexacyclic 19-nor-Secolabdane Diterpenoids from the Chinese Liverwort Pallavicinia ambigua.","Organic letters","2012","14","4","1102","1105","10.1021/ol3000124","","","0.71069","MoKα","","0.089","0.0461","","","0.0975","0.1171","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503625","13.058","0.0005","13.0653","0.0005","14.077","0.0006","97.904","0.004","105.81","0.004","112.461","0.004","2055.14","0.18","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N3 O3 -","- C19 H23.001 N3 O3 -","- C76 H92.004 N12 O12 -","4","2","","Doveston, Richard G.; Steendam, René; Jones, Stuart; Taylor, Richard J. K.","Total synthesis of an oxepine natural product, (±)-janoxepin.","Organic letters","2012","14","4","1122","1125","10.1021/ol300039x","","","0.7107","MoKα","","0.0934","0.0686","","","0.1927","0.2104","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503626","9.28387","0.00017","10.7517","0.00019","11.9589","0.0008","90","","94.002","0.007","90","","1190.8","0.09","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 F3 N O3 -","- C10 H16 F3 N O3 -","- C40 H64 F12 N4 O12 -","4","2","","Romney, David K.; Miller, Scott J.","A Peptide-embedded trifluoromethyl ketone catalyst for enantioselective epoxidation.","Organic letters","2012","14","4","1138","1141","10.1021/ol3000712","","","1.54187","CuKα","","","0.0228","","","","0.0539","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503627","17.325","0.01","4.393","0.003","20.866","0.012","90","","92.132","0.008","90","","1587","1.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Br2 O4 -","- C16 H10 Br2 O4 -","- C64 H40 Br8 O16 -","4","1","","Wei, Wei; Wang, Yao; Yin, Jianpeng; Xue, Jijun; Li, Ying","Construction of Aromatic [5,5] Spiroketals via Hypoiodite-Catalyzed Etherification Combined in Relay Cascades.","Organic letters","2012","14","4","1158","1161","10.1021/ol300107v","","","0.71073","MoKα","","0.0953","0.0468","","","0.1052","0.1231","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503628","19.247","0.008","4.881","0.002","16.331","0.007","90","","112.154","0.004","90","","1420.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br O4 -","- C16 H11 Br O4 -","- C64 H44 Br4 O16 -","4","1","","Wei, Wei; Wang, Yao; Yin, Jianpeng; Xue, Jijun; Li, Ying","Construction of Aromatic [5,5] Spiroketals via Hypoiodite-Catalyzed Etherification Combined in Relay Cascades.","Organic letters","2012","14","4","1158","1161","10.1021/ol300107v","","","0.71073","MoKα","","0.1687","0.0554","","","0.0916","0.1212","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1503629","15.278","0.002","15.133","0.002","15.916","0.002","90","","90","","90","","3679.8","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H22 N2 O5 -","- C20 H21 N2 O5 -","- C160 H168 N16 O40 -","8","1","","Chen, Fei; Feng, Zhang; He, Chun-Yang; Wang, Hao-Yang; Guo, Yin-Long; Zhang, Xingang","Pd-catalyzed dehydrogenative cross-coupling of polyfluoroarenes with heteroatom-substituted enones.","Organic letters","2012","14","4","1176","1179","10.1021/ol300240k","","","0.71073","MoKα","","0.1344","0.0737","","","0.2164","0.2654","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507143","12.3607","0.0006","19.4377","0.0006","14.5501","0.0006","90","","114.803","0.005","90","","3173.4","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Cl3 N3 O5 -","- C35 H26 Cl3 N3 O5 -","- C140 H104 Cl12 N12 O20 -","4","1","","Li, Kuan-Ting; Lin, Yong-Bo; Yang, Ding-Yah","One-Pot Synthesis of Pyranocoumarins via Microwave-Assisted Pseudo Multicomponent Reactions and Their Molecular Switching Properties.","Organic letters","2012","14","5","1190","1193","10.1021/ol203229z","","x-ray","0.71073","MoKα","","0.1362","0.0568","","","0.1429","0.1569","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507144","14.0644","0.0012","15.0979","0.0012","15.2279","0.0012","108.301","0.002","91.149","0.002","114.384","0.002","2753.9","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H19 N O7 -","- C32 H19 N O7 -","- C128 H76 N4 O28 -","4","2","","Li, Kuan-Ting; Lin, Yong-Bo; Yang, Ding-Yah","One-Pot Synthesis of Pyranocoumarins via Microwave-Assisted Pseudo Multicomponent Reactions and Their Molecular Switching Properties.","Organic letters","2012","14","5","1190","1193","10.1021/ol203229z","","x-ray","0.71073","MoKα","","0.1234","0.0546","","","0.1301","0.145","","","","","","1.042","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507145","17.5336","0.0006","14.7302","0.0004","22.0893","0.0005","90","","91.754","0.003","90","","5702.4","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H41 Cl9 N18 O5 Zn6 -","- C38 H41 Cl9 N18 O5 Zn6 -","- C152 H164 Cl36 N72 O20 Zn24 -","4","0.5","","Zhou, Ying; Li, Zhan-Xian; Zang, Shuang-Quan; Zhu, Yan-Yan; Zhang, Hong-Yan; Hou, Hong-Wei; Mak, Thomas C. W.","A Novel Sensitive Turn-on Fluorescent Zn(2+) Chemosensor Based on an Easy To Prepare C(3)-Symmetric Schiff-Base Derivative in 100% Aqueous Solution.","Organic letters","2012","14","5","1214","1217","10.1021/ol2034417","","","0.71073","MoKα","","0.1233","0.1154","","","0.263","0.2658","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507146","9.947","0.0011","20.244","0.002","7.9602","0.0009","90","","90","","90","","1602.9","0.3","188","2","188","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Yuan, Feng-Quan; Han, Fu-She","Synthesis of Densely Substituted α,β,γ,δ-Dienones via the Pd(II)-Catalyzed Allylation, H-Migration, and Aerobic Oxidative δ-Hydride Elimination Cascade.","Organic letters","2012","14","5","1218","1221","10.1021/ol203444g","","","0.71073","MoKα","","0.0543","0.0409","","","0.0907","0.0984","","","","","","0.972","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507147","11.1927","0.0015","11.6453","0.0016","13.0994","0.0018","89.867","0.002","75.2","0.002","89.933","0.002","1650.8","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","2","","Yuan, Feng-Quan; Han, Fu-She","Synthesis of Densely Substituted α,β,γ,δ-Dienones via the Pd(II)-Catalyzed Allylation, H-Migration, and Aerobic Oxidative δ-Hydride Elimination Cascade.","Organic letters","2012","14","5","1218","1221","10.1021/ol203444g","","","0.71073","MoKα","","0.1165","0.0662","","","0.1514","0.1818","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507148","15.3524","0.0007","8.8779","0.0005","16.3754","0.0008","90","","96.2616","0.0014","90","","2218.6","0.19","150.1","","150.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N O3 S -","- C25 H24 N O3 S -","- C100 H96 N4 O12 S4 -","4","1","","Namba, Kosuke; Kanaki, Michika; Suto, Hiroki; Nishizawa, Mugio; Tanino, Keiji","Hg(OTf)(2)-Catalyzed Vinylogous Semi-Pinacol Rearrangement Leading to 1,4-Dihydroquinolines.","Organic letters","2012","14","5","1222","1225","10.1021/ol2034492","","","0.71075","MoKα","","","0.0557","","","","0.1361","","","","","","0.938","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507149","9.626","0.0003","10.836","0.0004","17.7861","0.0006","90","","90","","90","","1855.22","0.11","100","2","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 N O6 -","- C15 H27 N O6 -","- C60 H108 N4 O24 -","4","1","","Wong, Margaret L.; Guzei, Ilia A.; Kiessling, Laura L.","An Asymmetric Synthesis of l-Pyrrolysine.","Organic letters","2012","14","6","1378","1381","10.1021/ol300045c","","","1.54178","Cu-Kα","","0.0274","0.0273","","","0.0729","0.073","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507150","5.9069","0.0005","7.8185","0.0009","30.936","0.003","90","","90","","90","","1428.7","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-4-((4S,5R)-5-(4-bromophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl)oxazolidin-2-one","","- C14 H16 Br N O4 -","- C14 H16 Br N O4 -","- C56 H64 Br4 N4 O16 -","4","1","","Jiang, Chao; Covell, Dustin J.; Stepan, Antonia F.; Plummer, Mark S.; White, M. Christina","Sequential Allylic C-H Amination/Vinylic C-H Arylation: A Strategy for Unnatural Amino Acid Synthesis from α-Olefins.","Organic letters","2012","14","6","1386","1389","10.1021/ol300063t","","","0.71073","MoKα","","0.0774","0.0464","","","0.0915","0.1018","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507151","15.866","0.004","19.443","0.004","8.0117","0.0018","90","","113.694","0.003","90","","2263.1","0.9","273","2","273","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 -","- C36 H22 -","- C144 H88 -","4","0.5","","Gu, Xingxian; Luhman, Wade A.; Yagodkin, Elisey; Holmes, Russell J.; Douglas, Christopher J.","Diarylindenotetracenes via a Selective Cross-Coupling/C-H Functionalization: Electron Donors for Organic Photovoltaic Cells.","Organic letters","2012","14","6","1390","1393","10.1021/ol300098p","","","0.71073","MoKα","","0.068","0.0496","","","0.1225","0.1335","","","","","","1.119","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507152","20.2712","0.0005","6.8588","0.0002","21.9489","0.0006","90","","109.756","0.001","90","","2872.07","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H39 O11.5 -","- C29 H36 O11.5 -","- C116 H144 O46 -","4","2","","Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong","Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia.","Organic Letters","2012","14","5","1286","1289","10.1021/ol300099e","","","1.54178","CuKα","","0.0608","0.0589","","","0.1636","0.1671","","","","","","1.044","","","","has coordinates","218683","2020-10-21","18:00:00",""
"1507153","10.4064","0.0001","6.9552","0.0001","18.3789","0.0002","90","","102.053","0.001","90","","1300.91","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H34 O8 -","- C27 H34 O8 -","- C54 H68 O16 -","2","1","","Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong","Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia.","Organic Letters","2012","14","5","1286","1289","10.1021/ol300099e","","","1.54178","CuKα","","0.0554","0.0551","","","0.1617","0.1625","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507154","10.243","0.0004","10.5955","0.0005","23.2804","0.0009","90","","90","","90","","2526.61","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 O9 -","- C27 H36 O9 -","- C108 H144 O36 -","4","1","","Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong","Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia.","Organic Letters","2012","14","5","1286","1289","10.1021/ol300099e","","","1.54178","CuKα","","0.0341","0.0341","","","0.0872","0.0872","","","","","","1.103","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507155","5.2405","0.0005","8.5569","0.0007","27.083","0.002","90","","90","","90","","1214.47","0.18","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Abdelkafi, Hajer; Herson, Patrick; Nay, Bastien","Asymmetric synthesis of the oxygenated polycyclic system of (+)-harringtonolide.","Organic letters","2012","14","5","1270","1273","10.1021/ol300133x","","","0.71073","MoKα","","0.0428","0.0395","","0.1089","0.1069","0.1089","","","","","","1.0788","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507156","6.2522","0.0005","7.9375","0.0006","18.4228","0.0016","90","","90","","90","","914.27","0.13","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Abdelkafi, Hajer; Herson, Patrick; Nay, Bastien","Asymmetric synthesis of the oxygenated polycyclic system of (+)-harringtonolide.","Organic letters","2012","14","5","1270","1273","10.1021/ol300133x","","","0.71073","MoKα","","0.0551","0.0524","","0.1316","0.129","0.1314","","","","","","0.9096","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507157","9.627","0.0019","10.047","0.002","13.365","0.003","87.97","0.03","87.03","0.03","85.14","0.03","1285.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O3 -","- C33 H25 N O3 -","- C66 H50 N2 O6 -","2","1","","Du, Ding; Hu, Zhongyuan; Jin, Jianlin; Lu, Yingyan; Tang, Weifang; Wang, Bo; Lu, Tao","N-heterocyclic carbene-catalyzed three-component domino reaction of alkynyl aldehydes with oxindoles.","Organic letters","2012","14","5","1274","1277","10.1021/ol300148f","","","0.71073","MoKα","","0.1167","0.0605","","","0.1364","0.1684","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507158","14.679","0.002","8.9013","0.0013","15.868","0.002","90","","110.299","0.002","90","","1944.6","0.5","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Mori, Keiji; Kawasaki, Taro; Akiyama, Takahiko","Concise Route to 3-Arylisoquinoline Skeleton by Lewis Acid Catalyzed C(sp(3))-H Bond Functionalization and Its Application to Formal Synthesis of (±)-Tetrahydropalmatine.","Organic letters","2012","14","6","1436","1439","10.1021/ol300180w","","","0.71073","MoKα","","0.0809","0.0468","","","0.0964","0.1096","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507159","9.6511","0.0008","21.4131","0.0018","11.873","0.001","90","","107.002","0.001","90","","2346.4","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O6 S -","- C26 H29 N O6 S -","- C104 H116 N4 O24 S4 -","4","1","","Mori, Keiji; Kawasaki, Taro; Akiyama, Takahiko","Concise Route to 3-Arylisoquinoline Skeleton by Lewis Acid Catalyzed C(sp(3))-H Bond Functionalization and Its Application to Formal Synthesis of (±)-Tetrahydropalmatine.","Organic letters","2012","14","6","1436","1439","10.1021/ol300180w","","","0.71073","MoKα","","0.0446","0.0388","","","0.1017","0.1059","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507160","5.5479","0.0012","8.1165","0.0003","25.0347","0.0008","90","","90","","90","","1127.3","0.2","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Fujita, Morifumi; Mori, Kazuhiro; Shimogaki, Mio; Sugimura, Takashi","Asymmetric Synthesis of 4,8-Dihydroxyisochroman-1-one Polyketide Metabolites Using Chiral Hypervalent Iodine(III).","Organic letters","2012","14","5","1294","1297","10.1021/ol300185u","","","0.71069","MoKα","","","0.0691","","","","0.066","","","","","","1.35","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507161","4.4554","0.0016","11.569","0.004","20.465","0.007","90","","90","","90","","1054.9","0.6","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 Br O3 -","- C11 H9 Br O3 -","- C44 H36 Br4 O12 -","4","1","","Fujita, Morifumi; Mori, Kazuhiro; Shimogaki, Mio; Sugimura, Takashi","Asymmetric Synthesis of 4,8-Dihydroxyisochroman-1-one Polyketide Metabolites Using Chiral Hypervalent Iodine(III).","Organic letters","2012","14","5","1294","1297","10.1021/ol300185u","","","0.71075","MoKα","","","0.0474","","","","0.1467","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507162","7.087","0.0004","13.3538","0.0015","30.334","0.002","90","","90","","90","","2870.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29.5 Cl2 N O5.25 -","- C33 H29.5 Cl2 N O5.25 -","- C132 H118 Cl8 N4 O21 -","4","1","","Liu, Yankai; Nappi, Manuel; Escudero-Adán, Eduardo C; Melchiorre, Paolo","Multicatalytic Asymmetric Synthesis of Complex Tetrahydrocarbazoles via a Diels-Alder/Benzoin Reaction Sequence.","Organic letters","2012","14","5","1310","1313","10.1021/ol300192p","","","0.71073","MoKα","","0.0372","0.0331","","","0.0871","0.0919","","","","","","1.122","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507163","13.0955","0.0003","18.5015","0.0006","28.2301","0.0011","90","","90","","90","","6839.8","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H22 B F15 Si2 -","- C34 H22 B F15 Si2 -","- C272 H176 B8 F120 Si16 -","8","1","","Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration route to substituted naphthalenes.","Organic letters","2012","14","6","1448","1451","10.1021/ol300193e","","","1.54178","CuKα","","0.0757","0.0453","","","0.0991","0.1171","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507164","12.8769","0.0003","18.9861","0.0004","29.5893","0.0009","90","","90","","90","","7234.1","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H26 B F15 Si2 -","- C36 H26 B F15 Si2 -","- C288 H208 B8 F120 Si16 -","8","1","","Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration route to substituted naphthalenes.","Organic letters","2012","14","6","1448","1451","10.1021/ol300193e","","","1.54178","CuKα","","0.0607","0.0464","","","0.1118","0.1218","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507165","9.3849","0.0003","11.4951","0.0005","31.3337","0.0008","90","","90","","90","","3380.3","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H18 B F15 Si -","- C37 H18 B F15 Si -","- C148 H72 B4 F60 Si4 -","4","1","","Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration route to substituted naphthalenes.","Organic letters","2012","14","6","1448","1451","10.1021/ol300193e","","","1.54178","CuKα","","0.0925","0.0879","","","0.2453","0.2533","","","","","","1.059","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507166","5.2757","0.0001","9.3605","0.0002","31.0792","0.0006","90","","90","","90","","1534.79","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O7 S -","- C12 H16 N2 O7 S -","- C48 H64 N8 O28 S4 -","4","1","","Turcotte, Stéphane; Bouayad-Gervais, Samir H; Lubell, William D.","N-Aminosulfamide Peptide Mimic Synthesis by Alkylation of Aza-sulfurylglycinyl Peptides.","Organic letters","2012","14","5","1318","1321","10.1021/ol3001987","","","1.54178","CuKα","","0.0292","0.029","","","0.0805","0.0807","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507167","27.1653","0.0001","27.1653","0.0001","37.9051","0.0004","90","","90","","90","","27972.2","0.3","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C144 H247 O126 Rb5 -","- C144 H240 O126 Rb5 -","- C576 H960 O504 Rb20 -","4","0.5","","Gassensmith, Jeremiah J.; Smaldone, Ronald A.; Forgan, Ross S.; Wilmer, Christopher E.; Cordes, David B.; Botros, Youssry Y.; Slawin, Alexandra M. Z.; Snurr, Randall Q.; Stoddart, J. Fraser","Polyporous Metal-Coordination Frameworks.","Organic letters","2012","14","6","1460","1463","10.1021/ol300199a","","","0.71073","MoKα","","0.1083","0.0902","","","0.2447","0.2554","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507168","10.558","0.003","10.651","0.003","14.434","0.004","74.058","0.011","80.601","0.013","75.891","0.011","1505.5","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N7 S -","- C31 H27 N7 S -","- C62 H54 N14 S2 -","2","1","","Wang, Zu-Li; Zhao, Liang; Wang, Mei-Xiang","Construction of C(aryl)-C(alkynyl) Bond from Copper-Mediated Arene-Alkyne and Aryl Iodide-Alkyne Cross-Coupling Reactions: A Common Aryl-Cu(III) Intermediate in Arene C-H Activation and Castro-Stephens Reaction.","Organic letters","2012","14","6","1472","1475","10.1021/ol300205r","","","0.71073","MoKα","","0.1047","0.0892","","","0.2434","0.257","","","","","","1.134","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507169","10.2829","0.0017","10.39","0.002","14.484","0.002","79.649","0.01","71.64","0.01","76.483","0.009","1418.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H33 N7 Si -","- C30 H33 N7 Si -","- C60 H66 N14 Si2 -","2","1","","Wang, Zu-Li; Zhao, Liang; Wang, Mei-Xiang","Construction of C(aryl)-C(alkynyl) Bond from Copper-Mediated Arene-Alkyne and Aryl Iodide-Alkyne Cross-Coupling Reactions: A Common Aryl-Cu(III) Intermediate in Arene C-H Activation and Castro-Stephens Reaction.","Organic letters","2012","14","6","1472","1475","10.1021/ol300205r","","","0.71073","MoKα","","0.0836","0.0714","","","0.1512","0.1592","","","","","","1.108","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507170","7.372","0.0007","13.1046","0.0014","13.6194","0.0014","87.929","0.002","84.678","0.002","75.454","0.002","1268","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 O3 S -","- C32 H26 O3 S -","- C64 H52 O6 S2 -","2","1","","Wang, Qiaoyi; Aparaj, Siddhita; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Ambient schmittel cyclization promoted by chemoselective triazole-gold catalyst.","Organic letters","2012","14","5","1334","1337","10.1021/ol300227a","","","0.71073","MoKα","","0.0947","0.0611","","","0.1705","0.1922","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507171","8.3435","0.0002","13.8536","0.0003","23.2107","0.0007","90","","90","","90","","2682.87","0.12","213","","213","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 O S -","- C16 H18 O S -","- C128 H144 O8 S8 -","8","1","","Arai, Noriyoshi; Tanaka, Koichiro; Ohkuma, Takeshi","Novel Intramolecular Photocyclization of α-Arylthiophene Derivatives.","Organic letters","2012","14","6","1488","1491","10.1021/ol3002305","","","0.71075","MoKα","","","0.0394","","","","0.1242","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507172","8.321","0.0005","9.3857","0.0006","13.8217","0.0007","79.838","0.004","83.351","0.004","74.729","0.004","1022.27","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H17 N O2 -","- C30 H17 N O2 -","- C60 H34 N2 O4 -","2","1","","Kelgtermans, Hans; Dobrzańska, Liliana; Meervelt, Luc Van; Dehaen, Wim","Synthesis of Functionalized Dioxa-aza[7]helicenes Using Palladium Catalyzed Arylations.","Organic letters","2012","14","6","1500","1503","10.1021/ol300236t","","","1.54178","CuKα","","0.0636","0.046","","","0.1064","0.114","","","","","","0.895","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507173","9.7443","0.0002","10.1539","0.0003","12.1132","0.0004","77.7851","0.0049","69.8663","0.0039","85.1833","0.0056","1099.72","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 B2 F4 N2 O2 -","- C18 H22 B2 F4 N2 O2 -","- C36 H44 B4 F8 N4 O4 -","2","1","","Guliyev, Ruslan; Ozturk, Seyma; Sahin, Ertan; Akkaya, Engin U.","Expanded bodipy dyes: anion sensing using a bodipy analog with an additional difluoroboron bridge.","Organic letters","2012","14","6","1528","1531","10.1021/ol300260q","","","0.71073","MoKα","","0.2002","0.089","","","0.3719","0.245","","","","","","1.286","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507174","13.5604","0.0005","13.5604","0.0005","9.2104","0.0005","90","","90","","120","","1466.74","0.11","293","2","293","2","","","","","","","","3","P 6/m","-P 6","175","","","","- C42 H24 O12 -","- C42 H24 O12 -","- C42 H24 O12 -","1","0.0833333","","Ma, Yingjie; Chi, Xiaodong; Yan, Xuzhou; Liu, Jiyong; Yao, Yong; Chen, Weixiang; Huang, Feihe; Hou, Jun-Li","per-Hydroxylated Pillar[6]arene: Synthesis, X-ray Crystal Structure, and Host-Guest Complexation.","Organic letters","2012","14","6","1532","1535","10.1021/ol300263z","","","0.71073","MoKα","","0.1161","0.1084","","","0.3783","0.3902","","","","","","1.806","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507175","10.5343","0.0006","11.7677","0.0008","13.5796","0.0006","114.819","0.005","91.582","0.004","108.48","0.005","1423.66","0.17","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H62 N2 O14 -","- C60 H62 N2 O14 -","- C60 H62 N2 O14 -","1","0.5","","Ma, Yingjie; Chi, Xiaodong; Yan, Xuzhou; Liu, Jiyong; Yao, Yong; Chen, Weixiang; Huang, Feihe; Hou, Jun-Li","per-Hydroxylated Pillar[6]arene: Synthesis, X-ray Crystal Structure, and Host-Guest Complexation.","Organic letters","2012","14","6","1532","1535","10.1021/ol300263z","","","0.71073","MoKα","","0.0881","0.0712","","","0.2222","0.238","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507176","7.8925","0.0002","14.7158","0.0005","15.8394","0.0006","90","","90","","90","","1839.66","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Lyżwa, Dawid; Dudziński, Krzysztof; Kwiatkowski, Piotr","High-pressure accelerated asymmetric organocatalytic friedel-crafts alkylation of indoles with enones: application to quaternary stereogenic centers construction.","Organic letters","2012","14","6","1540","1543","10.1021/ol300274u","","","0.71073","MoKα","","0.0401","0.0328","","","0.0766","0.0802","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507177","17.5092","0.001","10.496","0.0006","18.0138","0.0011","90","","100.221","0.001","90","","3258","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H62 F12 Hg2 N6 O16 S4 -","- C56 H61 F12 Hg2 N6 O16 S4 -","- C112 H122 F24 Hg4 N12 O32 S8 -","2","1","","Ikeda, Mari; Matsu-Ura, Aya; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi","Hg(2+)-sensing system based on structures of complexes.","Organic letters","2012","14","6","1564","1567","10.1021/ol3002943","","","0.71073","MoKα","","0.0425","0.0381","","","0.0968","0.1035","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507178","11.7903","0.0003","4.7128","0.0001","12.0475","0.0003","90","","93.584","0.001","90","","668.11","0.03","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O -","- C16 H20 O -","- C32 H40 O2 -","2","1","","Ye, Juntao; Li, Suhua; Chen, Bo; Fan, Wu; Kuang, Jinqiang; Liu, Jinxian; Liu, Yu; Miao, Bukeyan; Wan, Baoqiang; Wang, Yuli; Xie, Xi; Yu, Qiong; Yuan, Weiming; Ma, Shengming","Catalytic asymmetric synthesis of optically active allenes from terminal alkynes.","Organic letters","2012","14","5","1346","1349","10.1021/ol300296k","","","1.54178","CuKα","","0.0267","0.0266","","","0.0676","0.0677","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507179","6.7576","0.0003","10.2462","0.0004","34.321","0.0015","90","","92.832","0.002","90","","2373.47","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Br N2 O -","- C12 H15 Br N2 O -","- C96 H120 Br8 N16 O8 -","8","2","","Sather, Aaron C.; Berryman, Orion B.; Rebek, Jr, Julius","Synthesis of fused indazole ring systems and application to nigeglanine hydrobromide.","Organic letters","2012","14","6","1600","1603","10.1021/ol300303s","","","1.54178","CuKα","","0.0863","0.0703","","","0.1821","0.194","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507180","6.6859","0.0004","15.6593","0.001","10.898","0.0007","90","","97.943","0.002","90","","1130.04","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Br2 N2 O2 -","- C9 H10 Br2 N2 O2 -","- C36 H40 Br8 N8 O8 -","4","1","","Sather, Aaron C.; Berryman, Orion B.; Rebek, Jr, Julius","Synthesis of fused indazole ring systems and application to nigeglanine hydrobromide.","Organic letters","2012","14","6","1600","1603","10.1021/ol300303s","","","1.54178","CuKα","","0.0255","0.0249","","","0.0695","0.0702","","","","","","0.988","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507181","11.8358","0.0003","19.5236","0.0005","7.8905","0.0002","90","","94.652","0.001","90","","1817.31","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br2 N2 O -","- C8 H6 Br2 N2 O -","- C64 H48 Br16 N16 O8 -","8","2","","Sather, Aaron C.; Berryman, Orion B.; Rebek, Jr, Julius","Synthesis of fused indazole ring systems and application to nigeglanine hydrobromide.","Organic letters","2012","14","6","1600","1603","10.1021/ol300303s","","","1.54178","CuKα","","0.0324","0.0297","","","0.0816","0.0926","","","","","","1.295","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507182","7.5423","0.0007","16.3967","0.0015","8.2715","0.0007","90","","98.206","0.004","90","","1012.45","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","","Sather, Aaron C.; Berryman, Orion B.; Rebek, Jr, Julius","Synthesis of fused indazole ring systems and application to nigeglanine hydrobromide.","Organic letters","2012","14","6","1600","1603","10.1021/ol300303s","","","1.54178","CuKα","","0.0543","0.0522","","","0.227","0.2362","","","","","","1.164","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507183","6.1073","0.0002","23.4255","0.0005","17.989","0.0005","90","","94.744","0.002","90","","2564.81","0.12","183","2","183","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","2-(phenylethynyl)azulene","","- C18 H12 -","- C18 H12 -","- C144 H96 -","8","2","","Koch, Michael; Blacque, Olivier; Venkatesan, Koushik","Syntheses and tunable emission properties of 2-alkynyl azulenes.","Organic letters","2012","14","6","1580","1583","10.1021/ol300327b","","","0.71073","MoKα","","0.0776","0.0438","","","0.0878","0.1018","","","","","","1.046","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507184","7.5696","0.0002","5.8934","0.0002","14.6636","0.0005","90","","100.138","0.004","90","","643.94","0.04","183","2","183","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[(4-fluorophenyl)ethynyl]azulene","","- C18 H11 F -","- C18 H11 F -","- C36 H22 F2 -","2","1","","Koch, Michael; Blacque, Olivier; Venkatesan, Koushik","Syntheses and tunable emission properties of 2-alkynyl azulenes.","Organic letters","2012","14","6","1580","1583","10.1021/ol300327b","","","0.71073","MoKα","","0.0459","0.04","","","0.0977","0.1008","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507185","7.0895","0.0003","30.5179","0.0009","6.8117","0.0002","90","","104.535","0.004","90","","1426.59","0.09","183","2","183","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-[(pentafluorophenyl)ethynyl]azulene","","- C18 H7 F5 -","- C18 H7 F5 -","- C72 H28 F20 -","4","0.5","","Koch, Michael; Blacque, Olivier; Venkatesan, Koushik","Syntheses and tunable emission properties of 2-alkynyl azulenes.","Organic letters","2012","14","6","1580","1583","10.1021/ol300327b","","","0.71073","MoKα","","0.0535","0.0385","","","0.1151","0.1199","","","","","","1.129","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507186","8.0978","0.0002","9.3709","0.0003","37.1641","0.001","83.125","0.002","83.815","0.002","89.8","0.002","2783.45","0.14","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","[4-(azulen-2-ylethynyl)phenyl][bis(2,4,6-trimethylphenyl]borane","","- C36 H33 B -","- C36 H33 B -","- C144 H132 B4 -","4","2","","Koch, Michael; Blacque, Olivier; Venkatesan, Koushik","Syntheses and tunable emission properties of 2-alkynyl azulenes.","Organic letters","2012","14","6","1580","1583","10.1021/ol300327b","","","0.71073","MoKα","","0.0648","0.0526","","","0.1216","0.1288","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507187","12.2001","0.0002","25.9168","0.0005","7.495","0.0001","90","","90","","90","","2369.83","0.07","183","2","183","2","","","","","","","","3","P n a 21","P 2c -2n","33","","2-(azulen-2-ylethynyl)thiophene","","- C16 H10 S -","- C16 H10 S -","- C128 H80 S8 -","8","2","","Koch, Michael; Blacque, Olivier; Venkatesan, Koushik","Syntheses and tunable emission properties of 2-alkynyl azulenes.","Organic letters","2012","14","6","1580","1583","10.1021/ol300327b","","","0.71073","MoKα","","0.0496","0.0399","","","0.0937","0.1013","","","","","","1.031","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507188","10.376","0.0005","15.535","0.0006","15.069","0.0007","90","0.003","117.511","0.002","90","0.003","2154.32","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N O P S2 -","- C26 H18 N O P S2 -","- C104 H72 N4 O4 P4 S8 -","4","1","","Chua, Chris Jansen; Ren, Yi; Baumgartner, Thomas","Charge-transfer properties of lateral triphenylamine-dithienophosphole diads.","Organic letters","2012","14","6","1588","1591","10.1021/ol300331f","","","0.71073","MoKα","","0.0945","0.0686","","","0.1723","0.2037","","","","","","1.178","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507189","10.353","0.005","10.636","0.005","13.268","0.006","87.662","0.006","72.51","0.005","63.637","0.005","1241.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N O2 S -","- C31 H25 N O2 S -","- C62 H50 N2 O4 S2 -","2","1","","Luo, Yong; Wu, Jie","Generation of Indeno[1,2-c]pyrroles via a Pd-Catalyzed Reaction of 2-Alkynylbromobenzene with Propargylic Sulfonamide.","Organic letters","2012","14","6","1592","1595","10.1021/ol300334h","","","0.71073","MoKα","","0.0717","0.0517","","","0.1394","0.1563","","","","","","0.987","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507190","10.306","0.002","10.45","0.002","11.48","0.003","90","","104.939","0.004","90","","1194.6","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H34 N2 O5 -","- C24 H34 N2 O5 -","- C48 H68 N4 O10 -","2","1","","Veerasamy, Nagarathanam; Carlson, Erik C.; Carter, Rich G.","Expedient enantioselective synthesis of cermizine d.","Organic letters","2012","14","6","1596","1599","10.1021/ol300342n","","","0.71073","MoKα","","0.0579","0.0416","","","0.0784","0.0865","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507191","16.3943","0.0018","13.1063","0.0014","16.7797","0.0018","90","","106.895","0.002","90","","3449.8","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C168 H160 N16 O16 -","8","1","","Fan, Feng; Xie, Weiqing; Ma, Dawei","Construction of Polycyclic Spiro-indolines via an Intramolecular Oxidative Coupling/Cyclization Cascade Reaction Process.","Organic letters","2012","14","6","1405","1407","10.1021/ol3003496","","","0.71073","MoKα","","0.0681","0.0486","","","0.1268","0.1365","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507192","13.3486","0.0006","14.6574","0.0006","20.1067","0.0014","90","","90","","90","","3934","0.4","185","2","185","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-[(2R,5aR,9aS)-9a-((R)]-(3,5-dimethoxyphenyl)(methoxymethoxy) methyl)-2,6,7,8,9,9a-hexahydro-1H-2,5a-epoxybenzo[d]oxepine","","- C21 H28 O6 -","- C21 H28 O6 -","- C168 H224 O48 -","8","2","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.0477","0.039","","","0.0952","0.1118","","","","","","1.108","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507193","12.3489","0.0008","15.4961","0.0008","12.4019","0.0008","90","","133.278","0.009","90","","1727.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rac-(2R,5aR,9aS)-9a-((S)-benzo[d][1,3]dioxol-5-yl (methoxymethoxy)methyl)-2,6,7,8,9,9a-hexahydro-1H-2,5a- epoxybenzo[d]oxepine","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.0543","0.0418","","","0.1127","0.1278","","","","","","1.142","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507194","18.037","0.006","7.825","0.005","13.631","0.01","90","","98.78","0.02","90","","1901","2","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(2R,5aR,9aS)-9a-((R)-(3,5-dimethylphenyl)(methoxymethoxy)methyl)-2,6,7,8,9,9a- hexahydro-1H-2,5a-epoxybenzo[d]oxepine","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.7107","MoKα","","0.0665","0.044","","","0.1057","0.1194","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507195","9.031","0.002","13.795","0.005","11.711","0.004","90","","97.189","0.005","90","","1447.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rac-(4aR,8aR,9R)-11-methoxy-5,6,7,8,9,13b-hexahydro-1H- 1,9-epoxy-3,8a-methanoanthra[4a,10-d][1,3]dioxin","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71069","MoKα","","0.0853","0.0482","","","0.1126","0.1321","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507196","16.323","0.006","13.692","0.004","16.372","0.006","90","","117.681","0.005","90","","3240.3","1.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","rac-(4aR,8aR,9R)-1,11-dimethoxy-5,6,7,8,9,13b-hexahydro-1H-1,9- epoxy-3,8a-methanoanthra[4a,10-d][1,3]dioxine","","- C19 H22 O5 -","- C19 H22 O5 -","- C152 H176 O40 -","8","2","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71069","MoKα","","0.0896","0.0526","","","0.1263","0.149","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507197","19.944","0.006","8.853","0.004","16.494","0.006","90","","91.918","0.005","90","","2910.6","1.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","rac-(4aR,8aR,9R)-5,6,7,8,9,14b-hexahydro-1H-1,9-epoxy-3,8a-methano [1,3] dioxolo[4',5':6,7]anthra[4a,10-d][1,3]dioxine","","- C18 H18 O5 -","- C18 H18 O5 -","- C144 H144 O40 -","8","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71069","MoKα","","0.0662","0.0448","","","0.1055","0.1171","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507198","10.611","0.003","8.44","0.002","23.181","0.005","90","","94.281","0.008","90","","2070.2","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","mixture of rac (2S,4S,4aR,6R,6aS,10aS)-6-(3,4,5-trimethoxyphenyl) hexahydro-4H-2,6a-methano[1,3] dioxino[5,4-c]isobenzofuran-4-yl acetate and of rac (2S,4S,4aR,6R,6aR,10aS)-6-hydroxy-6-(3,4,5-trimethoxyphenyl) hexahydro-4H-2,6a-methano[1,3]dioxino[5,4-c]isobenzofuran-4-yl acetate hydrate 0.81:0.19","","- C22 H28.38 O8.38 -","- C22 H28.372 O8.372 -","- C88 H113.488 O33.488 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71069","MoKα","","0.0705","0.0447","","","0.1017","0.1144","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507199","8.0657","0.0006","10.0909","0.0008","11.7529","0.001","80.484","0.006","70.886","0.005","81.82","0.006","887.4","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","racemic (2S,4S,4aR,6R,6aS,10aS)-6-(benzo[d][1,3]dioxol-5-yl) hexahydro-4H-2,6a-methano[1,3]dioxino[5,4-c]isobenzofuran-4-yl acetate","","- C20 H22 O7 -","- C20 H22 O7 -","- C40 H44 O14 -","2","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.076","0.049","","","0.1174","0.1628","","","","","","1.108","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507200","7.3848","0.0005","7.8147","0.0007","12.8239","0.0003","90","","104.222","0.006","90","","717.38","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4aR,9R,9aR)-7-methoxy-1,2,3,4,9,10-hexahydro-4a,9a- (epoxyethano)-9,10-(epoxymethano)anthracene","","- C18 H22 O3 -","- C18 H22 O3 -","- C36 H44 O6 -","2","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71073","MoKα","","0.052","0.0389","","","0.094","0.0997","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507201","8.1781","0.0011","10.0146","0.0017","11.4361","0.0014","100.38","0.011","109.448","0.01","108.411","0.012","794.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(rac-(3aS,7aS,8S,10R)-10-(3,5-dimethylphenyl)hexahydro- 3a,7a-(methanooxymethano)benzofuran-8-yl)methanol","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","0.71073","MoKα","","0.0733","0.0505","","","0.1193","0.1383","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507202","8.1543","0.0003","10.2746","0.0003","10.7365","0.0007","92.296","0.007","90.564","0.006","98.526","0.007","888.76","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","racemic ((2S,2aS,6aS,8S,12bR)-9,10,11-trimethoxy-2,3,4,5,6,7,8,12b-octahydro-2a,8 -epoxynaphtho[1,2-c]isobenzofuran-2-yl)methanol","","- C20 H26 O6 -","- C20 H26 O6 -","- C40 H52 O12 -","2","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.0525","0.0443","","","0.1181","0.1368","","","","","","1.093","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507203","6.7785","0.0002","8.1193","0.0003","30.163","0.002","90","","90","","90","","1660.07","0.14","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","((2S,2aS,6aS,8R,12bR)-10-methoxy-9,11-dimethyl-2,3,4,5,6,7,8,12b -octahydro-2a,8-epoxynaphtho[1,2-c]isobenzofuran-2-yl)methanol","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.0936","0.0689","","","0.1508","0.1871","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507204","13.0857","0.0004","7.8334","0.0002","20.9658","0.0016","90","","126.525","0.005","90","","1727.02","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","rac-(1S)-1-((2S,2aS,8R,12bR)-11-methoxy-2,3,4,5,6,7,8,12b-octahydro- 2a,8-epoxynaphtho[1,2-c]isobenzofuran-2-yl)but-3-en-1-ol","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.0592","0.0452","","","0.1091","0.1295","","","","","","1.145","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507205","7.895","0.003","12.619","0.005","15.784","0.006","90","","90","","90","","1572.5","1.1","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Ogura, Akihiro; Yamada, Kohei; Yokoshima, Satoshi; Fukuyama, Tohru","Total synthesis of (-)-anisatin.","Organic letters","2012","14","6","1632","1635","10.1021/ol300390k","","","1.54187","CuKα","","","0.034","","","","0.0894","","","","","","0.894","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507565","13.8355","0.0015","10.4469","0.0011","10.3765","0.0011","90","","95.847","0.002","90","","1492","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","styryl[1,2] major product","styryl[1,2] major product","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Jaber, Deana M.; Burgin, Ryan N.; Helper, Matthew; Zavalij, Peter Y.; Doyle, Michael P.","Competitive [2,3]- and [1,2]-oxonium ylide rearrangements. Concerted or stepwise?","Organic letters","2012","14","7","1676","1679","10.1021/ol300213u","","","0.71073","MoKα","","0.0413","0.037","","","0.0739","0.0754","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507566","6.408","0.0005","32.53","0.003","7.8956","0.0006","90","","113.842","0.0012","90","","1505.4","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","styryl-[2,3]","styryl-[2,3]","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Jaber, Deana M.; Burgin, Ryan N.; Helper, Matthew; Zavalij, Peter Y.; Doyle, Michael P.","Competitive [2,3]- and [1,2]-oxonium ylide rearrangements. Concerted or stepwise?","Organic letters","2012","14","7","1676","1679","10.1021/ol300213u","","","0.71073","MoKα","","0.0408","0.0378","","","0.0733","0.0744","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507567","12.8363","0.0003","19.8364","0.0005","21.0723","0.0006","90","","96.788","0.003","90","","5327.9","0.2","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H74 F6 N O10 P -","- C55 H74 F6 N O10 P -","- C220 H296 F24 N4 O40 P4 -","4","1","","Han, Chengyou; Yu, Guocan; Zheng, Bo; Huang, Feihe","Complexation between Pillar[5]arenes and a Secondary Ammonium Salt.","Organic letters","2012","14","7","1712","1715","10.1021/ol300284c","","","0.71073","MoKα","","0.0895","0.0632","","","0.153","0.1715","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507568","12.1586","0.0008","12.6802","0.0016","19.525","0.004","90","","103.689","0.013","90","","2924.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 Cu N3 P -","- C34 H35 Cu N3 P -","- C136 H140 Cu4 N12 P4 -","4","1","","Ren, Peng; Salihu, Isuf; Scopelliti, Rosario; Hu, Xile","Copper-catalyzed alkylation of benzoxazoles with secondary alkyl halides.","Organic letters","2012","14","7","1748","1751","10.1021/ol300348w","","","0.71073","MoKα","","0.0466","0.0346","","","0.0726","0.0783","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507569","13.1836","0.0003","5.4727","0.0001","8.6078","0.0002","90","","92.362","0.002","90","","620.52","0.02","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C28 H30 N6 O2 -","2","1","","Ryabchuk, Pavel; Rubina, Marina; Xu, Jack; Rubin, Michael","Formal nucleophilic substitution of bromocyclopropanes with azoles.","Organic letters","2012","14","7","1752","1755","10.1021/ol300352z","","","1.54178","CuKα","","0.0283","0.0266","","","0.0673","0.0682","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507570","7.0491","0.0012","11.375","0.002","16.904","0.003","97.301","0.003","94.058","0.003","99.077","0.003","1321.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 Br N4 O8 -","- C25 H25 Br N4 O8 -","- C50 H50 Br2 N8 O16 -","2","1","","Shen, Kun; Han, Xiuling; Lu, Xiyan","Cationic Pd(II)-Catalyzed Highly Enantioselective Arylative Cyclization of Alkyne-Tethered Enals or Enones Initiated by Carbopalladation of Alkynes with Arylboronic Acids.","Organic letters","2012","14","7","1756","1759","10.1021/ol3003546","","","0.71073","MoKα","","0.0969","0.0656","","","0.2062","0.2419","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507571","10.8692","0.0015","5.7913","0.0008","29.339","0.004","90","","93.771","0.002","90","","1842.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","11275a","","","- C18 H24 N O5 P -","- C18 H24 N O5 P -","- C72 H96 N4 O20 P4 -","4","1","","Dekorver, Kyle A.; Wang, Xiao-Na; Walton, Mary C.; Hsung, Richard P.","Carbocyclization Cascades of Allyl Ketenimines via Aza-Claisen Rearrangements of N-Phosphoryl-N-allyl-ynamides.","Organic letters","2012","14","7","1768","1771","10.1021/ol300366e","","","0.71073","MoKα","","0.0949","0.0475","","","0.0905","0.1097","","","","","","1.017","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507572","22.7677","0.0006","9.8927","0.0003","20.9508","0.0008","90","","117.639","0.002","90","","4180.4","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N O4 S -","- C24 H23 N O4 S -","- C192 H184 N8 O32 S8 -","8","1","","Chen, Shi; Salo, Eric C.; Wheeler, Kraig A.; Kerrigan, Nessan J.","BINAPHANE-Catalyzed Asymmetric Synthesis of trans-β-Lactams from Disubstituted Ketenes and N-Tosyl Arylimines.","Organic letters","2012","14","7","1784","1787","10.1021/ol3003783","","","1.54178","CuKα","","0.0888","0.0543","","","0.1263","0.1449","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507573","13.2199","0.0007","13.2515","0.0006","26.9912","0.0014","90","","90.321","0.004","90","","4728.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 N O3 S -","- C24 H29 N O3 S -","- C192 H232 N8 O24 S8 -","8","4","","Chen, Shi; Salo, Eric C.; Wheeler, Kraig A.; Kerrigan, Nessan J.","BINAPHANE-Catalyzed Asymmetric Synthesis of trans-β-Lactams from Disubstituted Ketenes and N-Tosyl Arylimines.","Organic letters","2012","14","7","1784","1787","10.1021/ol3003783","","","1.54178","CuKα","","0.0649","0.0499","","0.1232","0.1164","","","","1.009","1.071","1.071","","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507574","8.5279","0.0004","12.1776","0.0007","21.242","0.0012","90","","93.029","0.002","90","","2202.9","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O5 -","- C26 H28 O5 -","- C104 H112 O20 -","4","1","","Zhang, Qiang; Porco, Jr, John A","Total Synthesis of (±)-7-epi-Nemorosone.","Organic letters","2012","14","7","1796","1799","10.1021/ol300386t","","","0.71073","MoKα","","0.0542","0.0472","","","0.1265","0.1326","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507575","5.7228","0.0004","9.7296","0.0005","19.324","0.0014","90","","90","","90","","1075.97","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O -","- C13 H16 O -","- C52 H64 O4 -","4","1","","Kolb, Andreas; Hirner, Sebastian; Harms, Klaus; Zezschwitz, Paultheo von","Kinetic Resolution of Chiral Cyclohex-2-enones by Rhodium(I)/binap-Catalyzed 1,2- and 1,4-Additions.","Organic letters","2012","14","8","1978","1981","10.1021/ol300387f","","","0.71073","MoKα","","0.0364","0.029","","","0.0674","0.0688","","","","","","0.949","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507576","14.1173","0.0012","5.8848","0.0007","14.7685","0.0014","90","","109.122","0.01","90","","1159.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N -","- C15 H10 Br N -","- C60 H40 Br4 N4 -","4","1","","Zhang, Yicheng; Wang, Min; Li, Pinhua; Wang, Lei","Iron-Promoted Tandem Reaction of Anilines with Styrene Oxides via C-C Cleavage for the Synthesis of Quinolines.","Organic letters","2012","14","9","2206","2209","10.1021/ol300391t","","","0.71073","MoKα","","0.1148","0.055","","","0.105","0.1271","","","","","","0.982","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507577","6.0569","0.0006","12.7912","0.0012","17.5238","0.0016","90","","96.253","0.001","90","","1349.6","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","","Cai, Zhengxin; Yongpruksa, Nattawut; Harmata, Michael","Total synthesis of the terpenoid buddledone a: 11-membered ring-closing metathesis.","Organic letters","2012","14","7","1661","1663","10.1021/ol300400x","","","0.71073","MoKα","","0.057","0.0441","","","0.1096","0.1181","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507578","7.2341","0.0014","9.0463","0.0018","18.335","0.004","86.03","0.03","85.74","0.03","82.12","0.03","1183.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 F N O4 -","- C12 H12 F N O4 -","- C48 H48 F4 N4 O16 -","4","2","","Wang, Junwei; Yuan, Yucheng; Xiong, Rui; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","Phenyliodine Bis(trifluoroacetate)-Mediated Oxidative C-C Bond Formation: Synthesis of 3-Hydroxy-2-oxindoles and Spirooxindoles from Anilides.","Organic letters","2012","14","9","2210","2213","10.1021/ol300418h","","","0.71073","MoKα","","0.1289","0.0797","","","0.2415","0.3178","","","","","","1.149","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507579","6.5931","0.0002","38.1706","0.0013","8.8048","0.0003","90","","108.705","0.002","90","","2098.8","0.12","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl N O2 S -","- C23 H24 Cl N O2 S -","- C92 H96 Cl4 N4 O8 S4 -","4","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.0456","0.0375","","","0.1084","0.1256","","","","","","1.143","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507580","8.4272","0.0005","8.9805","0.0004","15.5272","0.0009","79.77","0.002","82.637","0.003","69.06","0.002","1077.37","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cl N2 O4 S -","- C23 H23 Cl N2 O4 S -","- C46 H46 Cl2 N4 O8 S2 -","2","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.0416","0.0337","","","0.0832","0.0884","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507581","5.8929","0.0007","11.5325","0.0014","29.228","0.004","90","","90","","90","","1986.3","0.4","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl N O2 S -","- C22 H22 Cl N O2 S -","- C88 H88 Cl4 N4 O8 S4 -","4","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.0581","0.0428","","","0.0971","0.1093","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507582","6.4877","0.0012","7.8187","0.0014","36.654","0.007","90","","92.67","0.004","90","","1857.3","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cl N0 O0 S0 -","- C23 H23 Cl -","- C92 H92 Cl4 -","4","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.1025","0.0707","","","0.1715","0.192","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507583","9.9234","0.0004","13.8004","0.0005","22.4554","0.001","90","","101.088","0.001","90","","3017.8","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 Cl -","- C18 H21 Cl -","- C144 H168 Cl8 -","8","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.1143","0.0561","","","0.1466","0.1865","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507584","6.3086","0.0002","8.4829","0.0003","14.951","0.0008","96.024","0.002","91.033","0.002","101.932","0.002","777.85","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 Br Cl -","- C17 H18 Br Cl -","- C34 H36 Br2 Cl2 -","2","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.0961","0.0608","","","0.1617","0.1913","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507585","10.086","0.0002","10.0695","0.0002","11.2217","0.0002","90","","96.911","0.001","90","","1131.41","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C48 H52 N4 O12 -","2","1","","Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F","Assembly of Spirooxindole Derivatives Containing Four Consecutive Stereocenters via Organocatalytic Michael-Henry Cascade Reactions.","Organic letters","2012","14","7","1834","1837","10.1021/ol300441z","","","1.54178","CuKα","","0.0316","0.0311","","","0.081","0.0816","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507586","10.5664","0.0003","14.0387","0.0003","11.8735","0.0003","90","","91.954","0.001","90","","1760.27","0.08","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H17 Br2 N O5 -","- C16 H17 Br2 N O5 -","- C64 H68 Br8 N4 O20 -","4","1","","Hernández-Torres, Gloria; Tan, Bin; Barbas, 3rd, Carlos F","Organocatalysis as a safe practical method for the stereospecific dibromination of unsaturated compounds.","Organic letters","2012","14","7","1858","1861","10.1021/ol300456x","","","1.54184","CuKα","","0.0282","0.0281","","","0.0668","0.0669","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507587","19.513","0.01","10.041","0.005","16.438","0.009","90","","115.177","0.004","90","","2915","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 I2 -","- C16 H10 I2 -","- C128 H80 I16 -","8","1","","Wang, Li-Jing; Zhu, Hai-Tao; Lu, Lei; Yang, Fang; Liu, Xue-Yuan; Liang, Yong-Min","Highly Regioselective Synthesis of 1,3-Diiodonaphthalene Derivatives via a Sequential Cascade Iodocyclization.","Organic letters","2012","14","8","1990","1993","10.1021/ol300457c","","","0.71073","MoKα","","0.0482","0.0331","","","0.0761","0.0862","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507588","19.8356","0.0017","14.2421","0.0012","9.1127","0.0008","90","","102.316","0.001","90","","2515.1","0.4","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 B Br2 F3 N S3 -","- C22 H17 B Br2 F3 N S3 -","- C88 H68 B4 Br8 F12 N4 S12 -","4","1","","Wong, Hok-Lai; Wong, Wing-Tak; Yam, Vivian Wing-Wah","Photochromic Thienylpyridine-Bis(alkynyl)borane Complexes: Toward Readily Tunable Fluorescence Dyes and Photoswitchable Materials.","Organic letters","2012","14","7","1862","1865","10.1021/ol3004595","","","0.71073","MoKα","","0.0662","0.0399","","","0.1021","0.1164","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507589","11.8322","0.0005","13.0547","0.0006","14.3274","0.0007","71.669","0.002","70.92","0.003","69.477","0.002","1908.15","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B Cl2 N S3 -","- C39 H32 B Cl2 N S3 -","- C78 H64 B2 Cl4 N2 S6 -","2","1","","Wong, Hok-Lai; Wong, Wing-Tak; Yam, Vivian Wing-Wah","Photochromic Thienylpyridine-Bis(alkynyl)borane Complexes: Toward Readily Tunable Fluorescence Dyes and Photoswitchable Materials.","Organic letters","2012","14","7","1862","1865","10.1021/ol3004595","","","0.71073","MoKα","","0.142","0.0971","","","0.2764","0.3118","","","","","","1.026","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507590","11.2161","0.0002","11.3765","0.0002","16.423","0.0004","80.24","0.004","79.998","0.002","65.672","0.002","1869.23","0.07","100","2","100","1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C37 H46 Cl4 N6 Rh2 -","- C37 H46 Cl4 N6 Rh2 -","- C74 H92 Cl8 N12 Rh4 -","2","1","","Aizpurua, Jesus M.; Sagartzazu-Aizpurua, Maialen; Monasterio, Zaira; Azcune, Itxaso; Mendicute, Claudio; Miranda, Jose I.; García-Lecina, Eva; Altube, Ainhoa; Fratila, Raluca M.","Introducing Axial Chirality into Mesoionic 4,4'-Bis(1,2,3-triazole) Dicarbenes.","Organic letters","2012","14","7","1866","1868","10.1021/ol3004657","","x-ray","0.71073","MoKα","","0.0346","0.0261","","","0.0666","0.069","","","","","","1.041","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507591","11.5888","0.0001","20.8645","0.0002","29.5473","0.0003","90","","90","","90","","7144.38","0.12","100","2","100","1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H46 Cl2 N6 Rh2 -","- C37 H46 Cl2 N6 Rh2 -","- C296 H368 Cl16 N48 Rh16 -","8","2","","Aizpurua, Jesus M.; Sagartzazu-Aizpurua, Maialen; Monasterio, Zaira; Azcune, Itxaso; Mendicute, Claudio; Miranda, Jose I.; García-Lecina, Eva; Altube, Ainhoa; Fratila, Raluca M.","Introducing Axial Chirality into Mesoionic 4,4'-Bis(1,2,3-triazole) Dicarbenes.","Organic letters","2012","14","7","1866","1868","10.1021/ol3004657","","x-ray","1.54184","CuKα","","0.0425","0.0379","","","0.0797","0.0828","","","","","","1.033","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507592","12.2404","0.0001","16.9563","0.0001","17.6791","0.0001","90","","90","","90","","3669.33","0.04","100","1","100","1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 Cl2 N6 Rh2 -","- C38 H48 Cl2 N6 Rh2 -","- C152 H192 Cl8 N24 Rh8 -","4","1","","Aizpurua, Jesus M.; Sagartzazu-Aizpurua, Maialen; Monasterio, Zaira; Azcune, Itxaso; Mendicute, Claudio; Miranda, Jose I.; García-Lecina, Eva; Altube, Ainhoa; Fratila, Raluca M.","Introducing Axial Chirality into Mesoionic 4,4'-Bis(1,2,3-triazole) Dicarbenes.","Organic letters","2012","14","7","1866","1868","10.1021/ol3004657","","x-ray","1.54184","CuKα","","0.0168","0.0167","","","0.0421","0.0422","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507593","8.6356","0.0006","14.1494","0.001","17.9588","0.0013","90","","90","","90","","2194.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O3 S2 -","- C22 H25 N O3 S2 -","- C88 H100 N4 O12 S8 -","4","1","","Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing","Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.","Organic letters","2012","14","8","2038","2041","10.1021/ol300489q","","","0.71073","MoKα","","0.046","0.0388","","","0.0985","0.1036","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507594","13.485","0.0011","16.4869","0.0014","7.219","0.0006","90","","90","","90","","1605","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C64 H68 N4 O8 S8 -","4","1","","Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing","Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.","Organic letters","2012","14","8","2038","2041","10.1021/ol300489q","","","0.71073","MoKα","","0.035","0.0325","","","0.084","0.086","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507595","8.9067","0.0008","12.3031","0.0011","16.8821","0.0016","90","","90","","90","","1849.9","0.3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 S2 -","- C20 H19 N O2 S2 -","- C80 H76 N4 O8 S8 -","4","1","","Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing","Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.","Organic letters","2012","14","8","2038","2041","10.1021/ol300489q","","","0.71073","MoKα","","0.0252","0.0234","","","0.0635","0.0651","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507596","10.3022","0.0006","6.6239","0.0004","14.3858","0.0009","90","","106.691","0.001","90","","940.34","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S2 -","- C20 H21 N O3 S2 -","- C40 H42 N2 O6 S4 -","2","1","","Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing","Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.","Organic letters","2012","14","8","2038","2041","10.1021/ol300489q","","","0.71073","MoKα","","0.0291","0.0284","","","0.074","0.0748","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507597","8.0505","0.0009","10.4346","0.0011","15.117","0.0016","90","","90","","90","","1269.9","0.2","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-5-bromo-3-hydroxy-1-methyl-3-(2-methylallyl)indolin-2-one","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C52 H56 Br4 N4 O8 -","4","1","","Hanhan, Nadine V.; Tang, Yng C.; Tran, Ngon T.; Franz, Annaliese K.","Scandium(III)-Catalyzed Enantioselective Allylation of Isatins Using Allylsilanes.","Organic letters","2012","14","9","2218","2221","10.1021/ol300496v","","","0.71073","MoKα","","0.0242","0.0211","","","0.0476","0.0486","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507598","10.4582","0.0019","12.843","0.002","18.961","0.003","77.762","0.002","86.64","0.002","88.699","0.002","2484.5","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cl N2 O4 S -","- C26 H25 Cl N2 O4 S -","- C104 H100 Cl4 N8 O16 S4 -","4","2","","Shi, Shi-Hui; Huang, Fu-Ping; Zhu, Ping; Dong, Zhen-Wen; Hui, Xin-Ping","Synergistic Chiral Ion Pair Catalysts for Asymmetric Catalytic Synthesis of Quaternary α,β-Diamino Acids.","Organic letters","2012","14","8","2010","2013","10.1021/ol300510b","","","0.71073","MoKα","","0.1293","0.0689","","","0.1592","0.1986","","","","","","0.956","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507599","20.7827","0.0018","11.5084","0.001","11.8588","0.0007","90","","98.727","0.002","90","","2803.5","0.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","2","","Prakash, Muthuraj; Kesavan, Venkitasamy","Highly Enantioselective Synthesis of 2,3-Dihydroquinazolinones through Intramolecular Amidation of Imines.","Organic letters","2012","14","7","1896","1899","10.1021/ol300518m","","","0.71073","MoKα","","0.0668","0.0552","","","0.1539","0.166","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507600","8.7602","0.0013","19.148","0.003","10.7909","0.0016","90","","110.824","0.011","90","","1691.8","0.5","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Kumar, Puneet; Louie, Janis","A Single Step Approach to Piperidines via Ni-Catalyzed β-Carbon Elimination.","Organic letters","2012","14","8","2026","2029","10.1021/ol300534j","","","0.71073","MoKα","","0.1173","0.0629","","","0.1321","0.1638","","","","","","1.116","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507601","14.8256","0.0005","15.0546","0.0005","21.3969","0.0007","84.635","0.002","75.121","0.002","62.07","0.002","4075.9","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Br O3 P -","- C28 H36 Br O3 P -","- C168 H216 Br6 O18 P6 -","6","3","","Lee, Chia-Jui; Jang, Yeong-Jiunn; Wu, Zong-Ze; Lin, Wenwei","Preparation of Functional Phosphorus Zwitterions from Activated Alkanes, Aldehydes, and Tributylphosphine: Synthesis of Polysubstituted Furo[3,2-c]coumarins.","Organic letters","2012","14","7","1906","1909","10.1021/ol3005479","","","0.71073","MoKα","","0.0887","0.0527","","","0.1414","0.1633","","","","","","1.042","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507602","12.5968","0.0003","11.9364","0.0003","17.7064","0.0005","90","","91.668","0.001","90","","2661.21","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 N O3 P -","- C27 H38 N O3 P -","- C108 H152 N4 O12 P4 -","4","1","","Lee, Chia-Jui; Jang, Yeong-Jiunn; Wu, Zong-Ze; Lin, Wenwei","Preparation of Functional Phosphorus Zwitterions from Activated Alkanes, Aldehydes, and Tributylphosphine: Synthesis of Polysubstituted Furo[3,2-c]coumarins.","Organic letters","2012","14","7","1906","1909","10.1021/ol3005479","","","0.71073","MoKα","","0.1379","0.0708","","","0.1819","0.2311","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507603","13.6171","0.0003","19.1937","0.0004","20.4913","0.0006","116.665","0.001","102.662","0.001","97.2168","0.0014","4512.9","0.2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H45 N3 O2 -","- C48 H45 N3 O2 -","- C192 H180 N12 O8 -","4","2","","Maeda, Chihiro; Yoshioka, Naoki","Synthesis and Characterization of Novel Fused Porphyrinoids Based on Cyclic Carbazole[2]indolones.","Organic letters","2012","14","8","2122","2125","10.1021/ol300585v","","","1.54187","CuKα","","0.1963","0.0938","","","0.2198","0.2669","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507604","6.3794","0.001","9.6296","0.0015","10.9141","0.0017","90.102","0.003","101.332","0.003","106.314","0.003","629.77","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H12 Br N3 O4 S -","- C9 H12 Br N3 O4 S -","- C18 H24 Br2 N6 O8 S2 -","2","1","","Jiang, Biao; Wang, Jue; Huang, Zuo-Gang","Studies toward the Total Synthesis of Nagelamide K.","Organic letters","2012","14","8","2070","2073","10.1021/ol3005886","","","0.71073","MoKα","","0.0409","0.0373","","","0.0998","0.1015","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507605","7.3058","0.0009","13.488","0.0016","23.95","0.003","90","","97.257","0.002","90","","2341.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N6 O8 S2 -","- C18 H24 N6 O8 S2 -","- C72 H96 N24 O32 S8 -","4","1","","Jiang, Biao; Wang, Jue; Huang, Zuo-Gang","Studies toward the Total Synthesis of Nagelamide K.","Organic letters","2012","14","8","2070","2073","10.1021/ol3005886","","","0.71073","MoKα","","0.0564","0.0486","","","0.1307","0.1369","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507606","7.8606","0.001","8.0861","0.001","15.4119","0.0018","95.983","0.002","91.92","0.002","107.84","0.002","925.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N5 O6 S -","- C16 H19 N5 O6 S -","- C32 H38 N10 O12 S2 -","2","1","","Jiang, Biao; Wang, Jue; Huang, Zuo-Gang","Studies toward the Total Synthesis of Nagelamide K.","Organic letters","2012","14","8","2070","2073","10.1021/ol3005886","","","0.71073","MoKα","","0.0711","0.0576","","","0.1565","0.1647","","","","","","1.005","","","","has coordinates,has disorder","301775","2025-08-18","14:03:04",""
"1507607","12.401","0.002","12.639","0.002","12.675","0.002","90","","118.977","0.003","90","","1737.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N5 O5 S -","- C14 H21 N5 O5 S -","- C56 H84 N20 O20 S4 -","4","1","","Jiang, Biao; Wang, Jue; Huang, Zuo-Gang","Studies toward the Total Synthesis of Nagelamide K.","Organic letters","2012","14","8","2070","2073","10.1021/ol3005886","","","0.71073","MoKα","","0.047","0.0378","","","0.0951","0.0989","","","","","","0.955","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507608","9.0406","0.0014","9.2323","0.0014","11.7807","0.0017","83.999","0.003","79.454","0.003","75.926","0.003","935.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 N5 O5 S -","- C15 H25 N5 O5 S -","- C30 H50 N10 O10 S2 -","2","1","","Jiang, Biao; Wang, Jue; Huang, Zuo-Gang","Studies toward the Total Synthesis of Nagelamide K.","Organic letters","2012","14","8","2070","2073","10.1021/ol3005886","","","0.71073","MoKα","","0.0878","0.0832","","","0.2274","0.2342","","","","","","1.103","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507609","12.692","0.003","13.102","0.003","13.702","0.003","110.343","0.003","95.797","0.004","110.49","0.003","1935.8","0.8","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H41 Br4 N9 O8 S -","- C28 H41 Br4 N9 O8 S -","- C56 H82 Br8 N18 O16 S2 -","2","1","","Jiang, Biao; Wang, Jue; Huang, Zuo-Gang","Studies toward the Total Synthesis of Nagelamide K.","Organic letters","2012","14","8","2070","2073","10.1021/ol3005886","","","0.71073","MoKα","","0.1024","0.0706","","","0.2008","0.2408","","","","","","0.946","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507610","6.0349","0.0017","6.944","0.002","29.781","0.009","90","","95.57","0.011","90","","1242.1","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J.","Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams.","Organic letters","2012","14","9","2234","2237","10.1021/ol300605y","","","0.71073","MoKα","","0.117","0.1102","","","0.3248","0.3347","","","","","","1.188","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507611","9.0675","0.0003","6.0052","0.0002","21.3783","0.0008","90","","98.657","0.002","90","","1150.83","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J.","Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams.","Organic letters","2012","14","9","2234","2237","10.1021/ol300605y","","","0.71073","MoKα","","0.0563","0.0435","","","0.1219","0.1314","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507612","16.1951","0.0004","7.5226","0.0003","23.5755","0.0009","90","","107.623","0.002","90","","2737.39","0.17","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C112 H120 N8 O40 S8 -","8","1","","Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J.","Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams.","Organic letters","2012","14","9","2234","2237","10.1021/ol300605y","","","0.71073","MoKα","","0.0474","0.0384","","","0.1129","0.1213","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507613","11.0852","0.0002","7.9804","0.0001","31.3518","0.0005","90","","90","","90","","2773.52","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C112 H120 N8 O40 S8 -","8","1","","Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J.","Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams.","Organic letters","2012","14","9","2234","2237","10.1021/ol300605y","","","1.54178","CuKα","","0.0285","0.0281","","","0.0752","0.0755","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507614","6.3563","0.0016","7.9604","0.0013","20.414","0.004","87.759","0.012","89.3","0.018","74.762","0.018","995.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 N2 O2 S2 -","- C20 H28 N2 O2 S2 -","- C40 H56 N4 O4 S4 -","2","1","","Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J.","Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams.","Organic letters","2012","14","9","2234","2237","10.1021/ol300605y","","","1.54187","CuKα","","0.0441","0.0408","","","0.1029","0.1057","","","","","","0.986","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507615","7.3341","0.0003","10.3949","0.0004","14.8921","0.0008","90","","90","","90","","1135.33","0.09","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Kobayakawa, Yu; Mori, Yusuke; Okajima, Hideki; Terada, Yasuhiko; Nakada, Masahisa","Asymmetric and Highly Stereoselective Synthesis of the DEF-Ring Moiety of (-)-FR182877 and Its Derivative Inducing Mitotic Arrest.","Organic letters","2012","14","8","2086","2089","10.1021/ol300615w","","","0.71075","MoKα","","","0.0359","","","","0.103","","","","","","0.871","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507616","7.1902","0.0003","11.3975","0.0004","18.3499","0.0006","90","","90","","90","","1503.78","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Lian, Yajing; Davies, Huw M. L.","Rh(2)(S-biTISP)(2)-Catalyzed Asymmetric Functionalization of Indoles and Pyrroles with Vinylcarbenoids.","Organic letters","2012","14","7","1934","1937","10.1021/ol300632p","","","1.54178","CuKα","","0.0377","0.0353","","","0.1136","0.1172","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507617","5.7129","0.0005","14.9506","0.0011","6.4594","0.0005","90","","112.684","0.003","90","","509.03","0.07","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,2S,4S,5R,6S)-2-acetoxy-4-methylbicyclo[3.2.0]heptane-4,6-diol","","- C10 H16 O4 -","- C10 H16 O4 -","- C20 H32 O8 -","2","1","","Farcet, Jean-Baptiste; Himmelbauer, Martin; Mulzer, Johann","A Non-Photochemical Approach to the Bicyclo[3.2.0]heptane Core of Bielschowskysin.","Organic letters","2012","14","9","2195","2197","10.1021/ol3006419","","","0.71073","MoKα","","0.0529","0.0419","","","0.1038","0.1091","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507618","7.158","0.006","13.583","0.012","21.526","0.019","90","","90","","90","","2093","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N3 O2 -","- C23 H18 Br N3 O2 -","- C92 H72 Br4 N12 O8 -","4","1","","Gu, Peiming; Su, Yan; Wu, Xiu-Ping; Sun, Jian; Liu, Wanyi; Xue, Ping; Li, Rui","Enantioselective Preparation of cis-β-Azidocyclopropane Esters by Cyclopropanation of Azido Alkenes Using a Chiral Dirhodium Catalyst.","Organic letters","2012","14","9","2246","2249","10.1021/ol3006437","","","0.71073","MoKα","","0.0774","0.0374","","","0.0685","0.0799","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507619","11.8721","0.0011","13.221","0.0012","13.4918","0.0012","118.274","0.002","101.488","0.002","102.795","0.002","1700.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TL5-mullet","sarpong25","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C76 H76 Br4 O20 -","4","2","","Lebold, Terry P.; Gallego, Gary M.; Marth, Christopher J.; Sarpong, Richmond","Synthesis of the bridging framework of phragmalin-type limonoids.","Organic letters","2012","14","8","2110","2113","10.1021/ol300647k","","","1.54178","CuKα","","0.0343","0.034","","","0.0875","0.0878","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507620","11.316","0.004","5.8089","0.0019","27.45","0.009","90","","92.831","0.004","90","","1802.2","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Ye, Yang; Zhang, Li; Fan, Renhua","Application of dearomatization strategy on the synthesis of furoquinolinone and angelicin derivatives.","Organic letters","2012","14","8","2114","2117","10.1021/ol300648t","","","0.71073","MoKα","","0.0812","0.0541","","","0.1308","0.1435","","","","","","0.927","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507621","10.0464","0.0001","7.8254","0.0001","19.3562","0.0003","90","","102.457","0.001","90","","1485.9","0.03","180","2","180","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Kinghorn 1832","","","- C29 H42 O13 S -","- C29 H42 O13 S -","- C58 H84 O26 S2 -","2","1","","Pan, Li; Terrazas, Cesar; Lezama-Davila, Claudio M; Rege, Nirmala; Gallucci, Judith C.; Satoskar, Abhay R.; Kinghorn, A. Douglas","Cordifolide A, a Sulfur-Containing Clerodane Diterpene Glycoside from Tinospora cordifolia.","Organic letters","2012","14","8","2118","2121","10.1021/ol300657h","","x-ray","0.71073","MoKα","","0.0465","0.0358","","","0.0837","0.0888","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507622","18.4245","0.0006","6.8593","0.0002","7.259","0.0003","90","","95.853","0.002","90","","912.6","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 B Cl F3 K O -","- C7 H4 B Cl F3 K O -","- C28 H16 B4 Cl4 F12 K4 O4 -","4","1","","Dumas, Aaron M.; Bode, Jeffrey W.","Synthesis of acyltrifluoroborates.","Organic letters","2012","14","8","2138","2141","10.1021/ol300668m","","","1.54178","CuKα","","0.0285","0.0253","","","0.0666","0.0682","","","","","","1.138","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507623","16.9479","0.0013","8.3269","0.0005","22.8887","0.0013","90","","99.485","0.006","90","","3186","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 B F3 K N O -","- C16 H16 B F3 K N O -","- C128 H128 B8 F24 K8 N8 O8 -","8","1","","Dumas, Aaron M.; Bode, Jeffrey W.","Synthesis of acyltrifluoroborates.","Organic letters","2012","14","8","2138","2141","10.1021/ol300668m","","","0.71073","MoKα","","0.0699","0.0421","","","0.0925","0.1053","","","","","","1.125","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507624","10.4778","0.0007","10.5926","0.0006","12.6565","0.0008","66.666","0.002","75.97","0.002","73.169","0.002","1221.46","0.13","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H24 Br N O3 S -","- C30 H24 Br N O3 S -","- C60 H48 Br2 N2 O6 S2 -","2","2","","Hao, Lin; Du, Yu; Lv, Hui; Chen, Xingkuan; Jiang, Huishen; Shao, Yaling; Chi, Yonggui Robin","Enantioselective Activation of Stable Carboxylate Esters as Enolate Equivalents via N-Heterocyclic Carbene Catalysts.","Organic letters","2012","14","8","2154","2157","10.1021/ol300676w","","","0.71073","MoKα","","0.0548","0.0387","","","0.0735","0.0776","","","","","","0.987","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507625","11.886","0.0005","14.994","0.0006","11.9745","0.0005","90","","93.4","0.001","90","","2130.32","0.15","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C108 H92 N12 O8 -","4","1","","Hao, Lin; Du, Yu; Lv, Hui; Chen, Xingkuan; Jiang, Huishen; Shao, Yaling; Chi, Yonggui Robin","Enantioselective Activation of Stable Carboxylate Esters as Enolate Equivalents via N-Heterocyclic Carbene Catalysts.","Organic letters","2012","14","8","2154","2157","10.1021/ol300676w","","","0.71073","MoKα","","0.0832","0.0499","","","0.1234","0.1494","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507626","8.6184","0.0009","9.2516","0.001","10.4144","0.001","74.069","0.005","66.256","0.005","84.454","0.006","730.81","0.13","296.1","","296.1","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 B F2 N2 -","- C15 H19 B F2 N2 -","- C30 H38 B2 F4 N4 -","2","1","","Lundrigan, Travis; Baker, Alexander E. G.; Longobardi, Lauren E.; Wood, Tabitha E.; Smithen, Deborah A.; Crawford, Sarah M.; Cameron, T. Stanley; Thompson, Alison","An Improved Method for the Synthesis of F-BODIPYs from Dipyrrins and Bis(dipyrrin)s.","Organic letters","2012","14","8","2158","2161","10.1021/ol300681w","","","0.7107","MoKα","","","0.0476","","","","0.0548","","","","","","1.077","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507627","9.3694","0.0016","12.21","0.002","8.6351","0.0016","104.023","0.0015","114.143","0.012","99.813","0.014","833.1","0.3","296.1","","296.1","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 B F2 N2 -","- C17 H23 B F2 N2 -","- C34 H46 B2 F4 N4 -","2","1","","Lundrigan, Travis; Baker, Alexander E. G.; Longobardi, Lauren E.; Wood, Tabitha E.; Smithen, Deborah A.; Crawford, Sarah M.; Cameron, T. Stanley; Thompson, Alison","An Improved Method for the Synthesis of F-BODIPYs from Dipyrrins and Bis(dipyrrin)s.","Organic letters","2012","14","8","2158","2161","10.1021/ol300681w","","","0.7107","MoKα","","","0.0693","","","","0.0775","","","","","","0.944","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507628","11.7","0.006","14.423","0.002","11.934","0.003","90","0","38.561","0.006","90","0","1255.3","0.8","296.1","","296.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 B F2 N2 -","- C13 H15 B F2 N2 -","- C52 H60 B4 F8 N8 -","4","1","","Lundrigan, Travis; Baker, Alexander E. G.; Longobardi, Lauren E.; Wood, Tabitha E.; Smithen, Deborah A.; Crawford, Sarah M.; Cameron, T. Stanley; Thompson, Alison","An Improved Method for the Synthesis of F-BODIPYs from Dipyrrins and Bis(dipyrrin)s.","Organic letters","2012","14","8","2158","2161","10.1021/ol300681w","","","1.54178","CuKα","","","0.0554","","","","0.2073","","","","","","1.035","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507629","14.3864","0.0005","8.8874","0.0003","17.1044","0.0006","90","","99.141","0.004","90","","2159.16","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O4 Pd2 S2 -","- C20 H24 O4 Pd2 S2 -","- C80 H96 O16 Pd8 S8 -","4","1","","Yu, Ming; Xie, Yongju; Xie, Chunsong; Zhang, Yuhong","Palladium-catalyzed C-h alkenylation of arenes using thioethers as directing groups.","Organic letters","2012","14","8","2164","2167","10.1021/ol3006997","","","0.71073","MoKα","","0.039","0.0265","","","0.0498","0.0541","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507630","10.7151","0.001","12.2558","0.0012","13.2521","0.0013","90","","90","","90","","1740.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","","Lima, Heather M.; Sivappa, Rasapalli; Yousufuddin, Muhammed; Lovely, Carl J.","Total synthesis of 7'-desmethylkealiiquinone.","Organic letters","2012","14","9","2274","2277","10.1021/ol300704w","","","0.71073","MoKα","","0.0566","0.0473","","","0.1089","0.1239","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507631","30.346","0.005","10.9036","0.0015","13.4081","0.0018","90","","113.244","0.003","90","","4076.4","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C192 H192 N16 O32 -","8","1","","Lima, Heather M.; Sivappa, Rasapalli; Yousufuddin, Muhammed; Lovely, Carl J.","Total synthesis of 7'-desmethylkealiiquinone.","Organic letters","2012","14","9","2274","2277","10.1021/ol300704w","","","0.71073","MoKα","","0.091","0.0465","","","0.1011","0.1111","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507632","12.1517","0.0002","20.6813","0.0004","7.6469","0.0001","90","","100.562","0.001","90","","1889.2","0.05","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Toh, Kah Kah; Sanjaya, Stephen; Sahnoun, Sophian; Chong, Sin Yee; Chiba, Shunsuke","Copper-catalyzed aerobic intramolecular carbo- and amino-oxygenation of alkynes for synthesis of azaheterocycles.","Organic letters","2012","14","9","2290","2292","10.1021/ol3007106","","","0.71073","MoKα","","0.0518","0.0403","","","0.1177","0.1374","","","","","","1.094","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507633","11.447","0.003","11.392","0.003","19.82","0.005","90","","91.98","0.003","90","","2583.1","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 N O7 S -","- C26 H39 N O7 S -","- C104 H156 N4 O28 S4 -","4","1","","Zhao, Changgui; Zheng, Huaiji; Jing, Peng; Fang, Bowen; Xie, Xingang; She, Xuegong","Tandem oxidative dearomatization/intramolecular diels-alder reaction for construction of the tricyclic core of palhinine a.","Organic letters","2012","14","9","2293","2295","10.1021/ol3007138","","","0.71073","MoKα","","0.1354","0.0626","","","0.1081","0.1335","","","","","","0.994","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507634","8.0559","0.0003","14.2981","0.0005","21.0979","0.0007","90","","90","","90","","2430.14","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O3 P -","- C29 H27 O3 P -","- C116 H108 O12 P4 -","4","1","","Wang, Shouliang; Li, Jinjin; Miao, Tingting; Wu, Wenhao; Li, Qing; Zhuang, Yue; Zhou, Zhongyuan; Qiu, Liqin","Highly Efficient Synthesis of a Class of Novel Chiral-Bridged Atropisomeric Monophosphine Ligands via Simple Desymmetrization and Their Applications in Asymmetric Suzuki-Miyaura Coupling Reaction.","Organic letters","2012","14","8","1966","1969","10.1021/ol300721p","","","0.71073","MoKα","","0.0859","0.0499","","","0.0992","0.1139","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507635","8.818","0.003","12.852","0.004","23.452","0.007","90","","96.024","0.006","90","","2643.1","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Br N O5 -","- C11 H13 Br N O5 -","- C88 H104 Br8 N8 O40 -","8","2","","Sacher, Joshua R.; Weinreb, Steven M.","Construction of the Azocane (Azacyclooctane) Moiety of the Lycopodium Alkaloid Lycopladine H via an Intramolecular Hydroaminomethylation Strategy.","Organic letters","2012","14","8","2172","2175","10.1021/ol3007277","","","0.71073","MoKα","","0.0676","0.0447","","","0.1233","0.1356","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507636","6.055","0.006","7.542","0.008","21.6","0.02","90","","95.65","0.02","90","","981.6","1.7","103","","103","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H18 S2 -","- C28 H18 S2 -","- C56 H36 S4 -","2","0.5","","Yamaguchi, Yuji; Maruya, Yukihiro; Katagiri, Hiroshi; Nakayama, Ken-Ichi; Ohba, Yoshihiro","Synthesis, Properties, and OFET Characteristics of 5,5'-Di(2-azulenyl)-2,2'-bithiophene (DAzBT) and 2,5-Di(2-azulenyl)-thieno[3,2-b]thiophene (DAzTT).","Organic letters","2012","14","9","2316","2319","10.1021/ol3007327","","","0.71075","MoKα","","0.1223","0.0849","","","0.2043","0.2321","","","","","","1.087","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507637","5.866","0.005","7.86","0.006","20.022","0.015","81.85","0.02","82.43","0.018","87.35","0.02","905.5","1.2","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","1","","Yamaguchi, Yuji; Maruya, Yukihiro; Katagiri, Hiroshi; Nakayama, Ken-Ichi; Ohba, Yoshihiro","Synthesis, Properties, and OFET Characteristics of 5,5'-Di(2-azulenyl)-2,2'-bithiophene (DAzBT) and 2,5-Di(2-azulenyl)-thieno[3,2-b]thiophene (DAzTT).","Organic letters","2012","14","9","2316","2319","10.1021/ol3007327","","","0.71075","MoKα","","0.1133","0.0677","","","0.1502","0.1809","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507638","7.7671","0.0009","13.4242","0.0016","19.659","0.002","90","","90","","90","","2049.8","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Br N O4 -","- C24 H20 Br N O4 -","- C96 H80 Br4 N4 O16 -","4","1","","Suzuki, Yuta; Nemoto, Tetsuhiro; Kakugawa, Kazumi; Hamajima, Akinari; Hamada, Yasumasa","Asymmetric synthesis of chiral 9,10-dihydrophenanthrenes using pd-catalyzed asymmetric intramolecular friedel-crafts allylic alkylation of phenols.","Organic letters","2012","14","9","2350","2353","10.1021/ol300770w","","","0.71073","MoKα","","0.0538","0.033","","","0.0739","0.0984","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507639","17.7995","0.0016","5.6603","0.0005","17.0003","0.0018","90","","113.183","0.002","90","","1574.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Yan, Wuming; Ye, Xiaohan; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","1,2,3-triazole: unique ligand in promoting iron-catalyzed propargyl alcohol dehydration.","Organic letters","2012","14","9","2358","2361","10.1021/ol300778e","","","0.71073","MoKα","","0.0906","0.0493","","","0.1274","0.1507","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507640","6.3763","0.0007","10.368","0.0011","15.3069","0.0016","77.61","0.002","88.579","0.002","86.438","0.002","986.39","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 Si -","- C21 H23 N3 Si -","- C42 H46 N6 Si2 -","2","1","","Yan, Wuming; Ye, Xiaohan; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","1,2,3-triazole: unique ligand in promoting iron-catalyzed propargyl alcohol dehydration.","Organic letters","2012","14","9","2358","2361","10.1021/ol300778e","","","0.71073","MoKα","","0.0704","0.06","","","0.1691","0.1834","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507641","10.8222","0.0006","9.7805","0.0006","13.6084","0.0009","90","","90","","90","","1440.4","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C56 H48 Br8 N8 O8 -","8","1","","Zhang, Chun; Xu, Zejun; Shen, Tao; Wu, Guolin; Zhang, Liangren; Jiao, Ning","Mn-promoted Aerobic Oxidative C-C Bond Cleavage of Aldehydes with Dioxygen Activation: A Simple Synthetic Approach to Formamides.","Organic letters","2012","14","9","2362","2365","10.1021/ol300781s","","","0.71073","MoKα","","0.0346","0.0291","","","0.0783","0.0835","","","","","","1.113","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507642","10.4392","0.0015","9.92","0.0014","12.0446","0.0017","90","","112.125","0.002","90","","1155.5","0.3","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H23 Br N2 O5 S -","- C24 H23 Br N2 O5 S -","- C48 H46 Br2 N4 O10 S2 -","2","1","","Hou, Wenduan; Zheng, Bo; Chen, Jun; Peng, Yungui","Asymmetric synthesis of polysubstituted 4-amino- and 3,4-diaminochromanes with a chiral multifunctional organocatalyst.","Organic letters","2012","14","9","2378","2381","10.1021/ol300798t","","","0.71073","MoKα","","0.0384","0.0355","","","0.0986","0.1006","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507643","7.4256","0.001","9.7072","0.0013","10.579","0.0014","92.607","0.001","94.56","0.002","94.16","0.001","757.13","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cl N4 O7 -","- C12 H15 Cl N4 O7 -","- C24 H30 Cl2 N8 O14 -","2","1","","Pan, Ende; Jamison, Matthew; Yousufuddin, Muhammed; Macmillan, John B.","Ammosamide D, an Oxidatively Ring Opened Ammosamide Analog from a Marine-Derived Streptomyces variabilis.","Organic letters","2012","14","9","2390","2393","10.1021/ol300806e","","","0.71073","MoKα","","0.0414","0.0394","","","0.1102","0.1122","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507644","8.28074","0.00015","10.78047","0.00019","41.173","0.0008","90","","90","","90","","3675.52","0.12","93.1","","93","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C176 H176 O40 -","8","1","","Shintani, Ryo; Ito, Tomoaki; Hayashi, Tamio","Palladium-Catalyzed Synthesis of 4-Oxaspiro[2.4]heptanes via Central Attack of Oxygen Nucleophiles to π-Allylpalladium Intermediates.","Organic letters","2012","14","9","2410","2413","10.1021/ol300852v","","","1.54187","CuKα","","","0.0621","","","","0.144","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507645","8.5429","0.0003","11.8569","0.0003","18.4536","0.0005","90","","90","","90","","1869.21","0.1","93.1","","93","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C88 H88 O20 -","4","1","","Shintani, Ryo; Ito, Tomoaki; Hayashi, Tamio","Palladium-Catalyzed Synthesis of 4-Oxaspiro[2.4]heptanes via Central Attack of Oxygen Nucleophiles to π-Allylpalladium Intermediates.","Organic letters","2012","14","9","2410","2413","10.1021/ol300852v","","","1.54187","CuKα","","","0.0352","","","","0.0845","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507646","26.5","0.03","14.575","0.018","11.213","0.014","90","","99.66","0.03","90","","4269","9","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 -","- C56 H56 -","- C224 H224 -","4","0.5","","Rose, Bradley D.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M.","Fluoreno[4,3-c]fluorene: A Closed-Shell, Fully Conjugated Hydrocarbon.","Organic letters","2012","14","9","2426","2429","10.1021/ol300942z","","","0.71073","MoKα","","0.1696","0.0812","","","0.1665","0.2101","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507663","8.9034","0.0002","10.554","0.0002","23.8579","0.0005","90","","90","","90","","2241.84","0.08","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-ethyl 5-(4-bromophenyl)-4-((2-(t-butyl)phenyl)(hydroxy)amino) -5-oxopentanoate","","","- C23 H28 Br N O4 -","- C23 H28 Br N O4 -","- C92 H112 Br4 N4 O16 -","4","1","","Yanagisawa, Akira; Fujinami, Takeo; Oyokawa, Yu; Sugita, Takuya; Yoshida, Kazuhiro","Catalytic enantioselective N-nitroso aldol reaction of γ,δ-unsaturated δ-lactones.","Organic letters","2012","14","10","2434","2437","10.1021/ol300146k","","","1.54178","CuKα","","0.0575","0.0564","","","0.1395","0.1411","","","","","","1.087","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507664","25.018","0.005","7.1284","0.0013","30.897","0.006","90","","99.122","0.007","90","","5440.4","1.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2-diphenyl-6-(8-phenylnaphthalen-1-yl)-2H-chromene","2,2-diphenyl-6-(8-phenylnaphthalen-1-yl)-2H-chromene","","- C75 H53 Cl3 O2 -","- C75 H53 Cl4 O2 -","- C300 H212 Cl16 O8 -","4","0.5","","Moorthy, Jarugu Narasimha; Mandal, Susovan; Parida, Keshaba Nanda","Through-space control of the persistence of photogenerated o-quinonoid intermediates in naphthalenes containing cofacially oriented chromenes and arenes.","Organic letters","2012","14","10","2438","2441","10.1021/ol300449p","","","0.71073","MoKα","","0.0886","0.0548","","","0.1196","0.1349","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507665","16.815","0.004","10.498","0.003","15.113","0.004","90","","94.888","0.006","90","","2658.1","1.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6-(8-(4-methoxyphenyl)naphthalen-1-yl)-2,2-diphenyl-2H-chromene","6-(8-(4-methoxyphenyl)naphthalen-1-yl)-2,2-diphenyl-2H-chromene","","- C38 H28 O2 -","- C38 H28 O2 -","- C152 H112 O8 -","4","1","","Moorthy, Jarugu Narasimha; Mandal, Susovan; Parida, Keshaba Nanda","Through-space control of the persistence of photogenerated o-quinonoid intermediates in naphthalenes containing cofacially oriented chromenes and arenes.","Organic letters","2012","14","10","2438","2441","10.1021/ol300449p","","","0.71073","MoKα","","0.2566","0.1231","","","0.3103","0.3989","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507666","9.695","0.002","11.461","0.005","12.535","0.005","79.413","0.005","88.04","0.005","76.789","0.005","1332.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","6-(8-(4-cyanophenyl)naphthalen-1-yl)-2,2-diphenyl-2H-chromene","6-(8-(4-cyanophenyl)naphthalen-1-yl)-2,2-diphenyl-2H-chromene","","- C38 H25 N O -","- C38 H25 N O -","- C76 H50 N2 O2 -","2","1","","Moorthy, Jarugu Narasimha; Mandal, Susovan; Parida, Keshaba Nanda","Through-space control of the persistence of photogenerated o-quinonoid intermediates in naphthalenes containing cofacially oriented chromenes and arenes.","Organic letters","2012","14","10","2438","2441","10.1021/ol300449p","","","0.71069","MoKα","","0.0922","0.0615","","","0.144","0.1601","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507667","8.3956","0.0008","13.8645","0.0014","14.431","0.0015","90","","91.624","0.002","90","","1679.1","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H13 Br2 N O3 -","- C18 H13 Br2 N O3 -","- C72 H52 Br8 N4 O12 -","4","2","","Trost, Barry M.; Hirano, Keiichi","Dinuclear zinc catalyzed asymmetric spirannulation reaction: an umpolung strategy for formation of α-alkylated-α-hydroxyoxindoles.","Organic letters","2012","14","10","2446","2449","10.1021/ol300577y","","","0.71073","MoKα","","0.0414","0.0343","","","0.0745","0.0767","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507668","6.4973","0.0002","19.9091","0.0007","21.8717","0.0008","90","","91.521","0.002","90","","2828.23","0.17","163.1","","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N O2 -","- C37 H35 N O2 -","- C148 H140 N4 O8 -","4","1","","Hata, Takeshi; Imade, Haduki; Urabe, Hirokazu","Four nucleophilic additions to alkenynedioic acid derivatives in tandem; efficient one-pot synthesis of bicyclo[4.2.0]octenols.","Organic letters","2012","14","10","2450","2453","10.1021/ol300623j","","","0.7107","MoKα","","0.0842","0.0582","","","0.1478","0.1698","","","","","","0.958","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507669","5.6319","0.0002","8.9756","0.0004","12.0986","0.0005","90","","103.23","0.002","90","","595.35","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Margrey, Kaila A.; Chinn, Alex J.; Laws, Stephen W.; Pike, Robert D.; Scheerer, Jonathan R.","Efficient entry to the [2.2.2]-diazabicyclic ring system via diastereoselective domino reaction sequence.","Organic letters","2012","14","10","2458","2461","10.1021/ol3007056","","","1.54178","CuKα","","0.023","0.023","","","0.0627","0.0628","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507670","7.0219","0.0001","13.942","0.0002","19.6816","0.0003","90","","90","","90","","1926.82","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","","Margrey, Kaila A.; Chinn, Alex J.; Laws, Stephen W.; Pike, Robert D.; Scheerer, Jonathan R.","Efficient entry to the [2.2.2]-diazabicyclic ring system via diastereoselective domino reaction sequence.","Organic letters","2012","14","10","2458","2461","10.1021/ol3007056","","","1.54178","CuKα","","0.0239","0.0238","","","0.0643","0.0644","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507671","10.8694","0.0002","8.8068","0.0002","17.0119","0.0004","90","","90.156","0.001","90","","1628.45","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","2","","Margrey, Kaila A.; Chinn, Alex J.; Laws, Stephen W.; Pike, Robert D.; Scheerer, Jonathan R.","Efficient entry to the [2.2.2]-diazabicyclic ring system via diastereoselective domino reaction sequence.","Organic letters","2012","14","10","2458","2461","10.1021/ol3007056","","","1.54178","CuKα","","0.0766","0.0766","","","0.1794","0.1794","","","","","","1.147","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507672","10.5125","0.0003","8.0673","0.0002","11.2216","0.0003","90","","95.651","0.001","90","","947.05","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C46 H44 N4 O6 -","2","1","","Margrey, Kaila A.; Chinn, Alex J.; Laws, Stephen W.; Pike, Robert D.; Scheerer, Jonathan R.","Efficient entry to the [2.2.2]-diazabicyclic ring system via diastereoselective domino reaction sequence.","Organic letters","2012","14","10","2458","2461","10.1021/ol3007056","","","1.54178","CuKα","","0.0385","0.0378","","","0.1036","0.1045","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507673","13.4858","0.0004","11.0668","0.0003","17.2464","0.0007","90","","123.609","0.002","90","","2143.66","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N2 O5 -","- C20 H30 N2 O5 -","- C80 H120 N8 O20 -","4","1","","Kumar, B. Senthil; Venkataramasubramanian, V.; Sudalai, Arumugam","Organocatalytic sequential α-amination/Corey-Chaykovsky reaction of aldehydes: a high yield synthesis of 4-hydroxypyrazolidine derivatives.","Organic letters","2012","14","10","2468","2471","10.1021/ol300739b","","","0.71073","MoKα","","0.0774","0.051","","","0.1156","0.135","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507674","15.513","0.003","13.049","0.002","18.801","0.003","90","","105.283","0.004","90","","3671.3","1.1","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C82.45 H64.2 Cl7.74 O6.26 -","- C82.454 H64.198 Cl7.746 O6.258 -","- C164.908 H128.396 Cl15.492 O12.516 -","2","0.5","","Yamaguchi, Ryuichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of oxygen-substituted hexa-peri-hexabenzocoronenes through Ir-catalyzed direct borylation.","Organic letters","2012","14","10","2472","2475","10.1021/ol300743f","","","0.71073","MoKα","","0.1123","0.0884","","","0.2604","0.2916","","","","","","1.037","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507675","21.814","0.002","21.814","0.002","21.814","0.002","90","","90","","90","","10380.2","1.6","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C71.63 H53.5 Cl1.25 O4.38 -","- C71.641 H53.443 Cl1.239 O4.401 -","- C573.128 H427.544 Cl9.912 O35.208 -","8","0.333333","","Yamaguchi, Ryuichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of oxygen-substituted hexa-peri-hexabenzocoronenes through Ir-catalyzed direct borylation.","Organic letters","2012","14","10","2472","2475","10.1021/ol300743f","","","0.71069","MoKα","","0.1431","0.059","","","0.1575","0.1987","","","","","","0.894","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507676","14.851","0.005","16.799","0.006","17.678","0.006","68.827","0.007","84.94","0.008","80.653","0.007","4056","2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H65 Cl16 O8 -","- C86 H66 O8 -","- C172 H132 O16 -","2","1","","Yamaguchi, Ryuichi; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of oxygen-substituted hexa-peri-hexabenzocoronenes through Ir-catalyzed direct borylation.","Organic letters","2012","14","10","2472","2475","10.1021/ol300743f","","","0.71073","MoKα","","0.1448","0.1005","","","0.2798","0.3037","","","","","","0.966","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507677","11.7513","0.0015","29.638","0.004","15.2776","0.0019","90","","111.368","0.001","90","","4955.2","1.1","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H58 B F4 N3 O10 -","- C52 H58 B F4 N3 O10 -","- C208 H232 B4 F16 N12 O40 -","4","1","","Noujeim, Nadim; Zhu, Kelong; Vukotic, V. Nicholas; Loeb, Stephen J.","[2]Pseudorotaxanes from T-shaped benzimidazolium axles and [24]crown-8 wheels.","Organic letters","2012","14","10","2484","2487","10.1021/ol300761q","","","0.71073","MoKα","","0.0482","0.043","","","0.1119","0.1162","","","","","","0.984","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507678","12.8588","0.0014","17.946","0.002","20.717","0.002","73.98","0.001","76.263","0.001","80.997","0.001","4442.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H59 B F4 N2 O9 -","- C45 H59 B F4 N2 O9 -","- C180 H236 B4 F16 N8 O36 -","4","2","","Noujeim, Nadim; Zhu, Kelong; Vukotic, V. Nicholas; Loeb, Stephen J.","[2]Pseudorotaxanes from T-shaped benzimidazolium axles and [24]crown-8 wheels.","Organic letters","2012","14","10","2484","2487","10.1021/ol300761q","","","0.71073","MoKα","","0.1547","0.1115","","","0.2109","0.2282","","","","","","1.277","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507679","9.3506","0.0003","10.3827","0.0004","23.164","0.0008","90","","90","","90","","2248.86","0.14","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 6-(5-bromo-1H-indol-3-yl)-5-formyl-4-(3-methoxyphenyl)-3-nitrohex-(2E)-enoate","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C96 H92 Br4 N8 O24 -","4","1","","Roy, Suparna; Chen, Kwunmin","Three-component organocascade kinetic resolution of racemic nitroallylic acetates via sequential iminium/enamine asymmetric catalysis.","Organic letters","2012","14","10","2496","2499","10.1021/ol300783e","","","0.71073","MoKα","","0.0615","0.0381","","","0.0804","0.0932","","","","","","0.71","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507680","10.731","0.017","8.96","0.014","15.53","0.02","90","","97.637","0.016","90","","1480","4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H31 Br N2 O7 -","- C31 H31 Br N2 O7 -","- C62 H62 Br2 N4 O14 -","2","1","","Yan, Wenjin; Wang, Dong; Feng, Jingchao; Li, Peng; Zhao, Depeng; Wang, Rui","Synthesis of N-alkoxycarbonyl ketimines derived from isatins and their application in enantioselective synthesis of 3-aminooxindoles.","Organic letters","2012","14","10","2512","2515","10.1021/ol3007953","","","0.71073","MoKα","","0.1532","0.058","","","0.0994","0.1316","","","","","","0.917","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507681","25.769","0.005","11.48","0.005","18.59","0.005","90","","107.214","0.005","90","","5253","3","150","","150","2","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 Au Cl3 N3 O4 S2 -","- C14 H21 Au Cl3 N3 O4 S2 -","- C112 H168 Au8 Cl24 N24 O32 S16 -","8","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Díez, Josefina; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Cycloisomerization versus hydration reactions in aqueous media: a Au(III)-NHC catalyst that makes the difference.","Organic letters","2012","14","10","2520","2523","10.1021/ol300811e","","","1.5418","CuKα","","0.0911","0.0824","","","0.2273","0.2386","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507682","9.717","0.0001","12.6841","0.0001","13.5632","0.0002","90","","108.02","0.001","90","","1589.68","0.03","150","2","150","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Au Cl2 N3 O3 S -","- C12 H14 Au Cl2 N3 O3 S -","- C48 H56 Au4 Cl8 N12 O12 S4 -","4","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Díez, Josefina; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Cycloisomerization versus hydration reactions in aqueous media: a Au(III)-NHC catalyst that makes the difference.","Organic letters","2012","14","10","2520","2523","10.1021/ol300811e","","","1.5418","CuKα","","0.0409","0.0396","","","0.1067","0.108","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507683","8.60756","0.00004","13.28654","0.00006","16.01937","0.00007","90","","90","","90","","1832.05","0.014","121","2","121","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Low, Darryl W.; Pattison, Graham; Wieczysty, Martin D.; Churchill, Gwydion H.; Lam, Hon Wai","Enantioselective Rh(I)-catalyzed cyclization of arylboron compounds onto ketones.","Organic letters","2012","14","10","2548","2551","10.1021/ol300845q","","","1.54184","CuKα","","0.0246","0.0245","","","0.0674","0.0674","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507684","9.0897","0.0001","11.2005","0.0001","18.5969","0.0001","90","","99.948","0.001","90","","1864.87","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","2","","Low, Darryl W.; Pattison, Graham; Wieczysty, Martin D.; Churchill, Gwydion H.; Lam, Hon Wai","Enantioselective Rh(I)-catalyzed cyclization of arylboron compounds onto ketones.","Organic letters","2012","14","10","2548","2551","10.1021/ol300845q","","","1.54178","CuKα","","0.0262","0.0259","","","0.069","0.0693","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507685","31.319","0.003","31.319","0.003","13.7184","0.0019","90","","90","","90","","13456","3","223","2","223","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C32 H44 B N5 O2 -","- C32 H44 B N5 O2 -","- C512 H704 B16 N80 O32 -","16","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","0.71073","MoKα","","0.0858","0.053","","","0.1345","0.1502","","","","","","0.987","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507686","9.396","0.006","14.79","0.01","12.381","0.008","90","","107.935","0.014","90","","1636.9","1.9","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H46 B N5 O2 -","- C33 H46 B N5 O2 -","- C66 H92 B2 N10 O4 -","2","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","0.71073","MoKα","","0.0627","0.0479","","","0.1217","0.1312","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507687","10.915","0.007","12.644","0.008","12.731","0.008","89.972","0.014","83.894","0.013","81.764","0.013","1728.8","1.9","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H46 B N5 O -","- C37 H46 B N5 O -","- C74 H92 B2 N10 O2 -","2","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","0.71073","MoKα","","0.0992","0.0573","","","0.1433","0.1651","","","","","","0.893","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507688","8.828","0.004","14.728","0.007","30.389","0.015","90","","96.38","0.011","90","","3927","3","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 B F13 N6 -","- C34 H38 B F13 N6 -","- C136 H152 B4 F52 N24 -","4","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","0.71073","MoKα","","0.111","0.0789","","","0.2264","0.2394","","","","","","1.667","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507689","15.4372","0.0006","18.7975","0.0008","21.1721","0.0008","90","","90","","90","","6143.7","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H44 B N5 O -","- C32 H44 B N5 O -","- C256 H352 B8 N40 O8 -","8","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","1.54178","CuKα","","0.0597","0.0527","","","0.1719","0.1765","","","","","","1.822","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507690","15.9699","0.0004","13.9567","0.0004","6.9126","0.0002","90","","90","","90","","1540.73","0.07","295","2","295","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1S,2R,3S,5S,6S,8R-3-methyl-3-methoxycarbonyl-5-phenyl-9, 11-dioxa-4-azatricyclo[6.2.1.0^2,6^]undecan-7-one","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Sarotti, Ariel M.; Spanevello, Rolando A.; Suárez, Alejandra G; Echeverría, Gustavo A; Piro, Oscar E.","1,3-Dipolar cycloaddition reactions of azomethine ylides with a cellulose-derived chiral enone. A novel route for organocatalysts development.","Organic letters","2012","14","10","2556","2559","10.1021/ol3008588","","","1.54184","CuKα","","0.0414","0.0388","","","0.1097","0.1143","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507691","9.8047","0.0003","11.0075","0.0004","16.8098","0.0005","99.827","0.002","96.5051","0.0019","93.876","0.002","1769.06","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.94 H38.35 B Cl3.06 N3 O -","- C40.938 H38.345 B Cl3.062 N3 O -","- C81.876 H76.69 B2 Cl6.124 N6 O2 -","2","1","","Tanaka, Takayuki; Kitano, Masaaki; Hayashi, Shin-Ya; Aratani, Naoki; Osuka, Atsuhiro","Rational Synthesis of A(2)B-type meso-Triarylsubporphyrins.","Organic letters","2012","14","11","2694","2697","10.1021/ol300865s","","","1.54187","CuKα","","0.1013","0.0673","","","0.1738","0.1998","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507692","7.5185","0.0001","19.5104","0.0004","17.6082","0.0004","90","","95.3265","0.0013","90","","2571.77","0.09","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 B N3 O2 -","- C35 H26 B N3 O2 -","- C140 H104 B4 N12 O8 -","4","1","","Tanaka, Takayuki; Kitano, Masaaki; Hayashi, Shin-Ya; Aratani, Naoki; Osuka, Atsuhiro","Rational Synthesis of A(2)B-type meso-Triarylsubporphyrins.","Organic letters","2012","14","11","2694","2697","10.1021/ol300865s","","","1.54187","CuKα","","0.1484","0.095","","","0.2326","0.2843","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507693","13.4058","0.0004","13.7067","0.0004","14.2504","0.0004","90","","110.514","0.0014","90","","2452.45","0.13","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 B N3 O S -","- C32 H22 B N3 O S -","- C128 H88 B4 N12 O4 S4 -","4","1","","Tanaka, Takayuki; Kitano, Masaaki; Hayashi, Shin-Ya; Aratani, Naoki; Osuka, Atsuhiro","Rational Synthesis of A(2)B-type meso-Triarylsubporphyrins.","Organic letters","2012","14","11","2694","2697","10.1021/ol300865s","","","1.54187","CuKα","","0.1237","0.0849","","","0.24","0.2857","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507694","25.3117","0.0009","7.9007","0.0003","28.2067","0.001","90","","101.84","0.003","90","","5520.8","0.4","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H90 O10 S2 -","- C60 H90 O10 S2 -","- C240 H360 O40 S8 -","4","2","","Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz","Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.","Organic letters","2012","14","10","2568","2571","10.1021/ol300870s","","","0.71072","MoKα","","0.0735","0.0576","","","0.144","0.1532","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507695","25.4161","0.0006","7.9247","0.0003","28.254","0.0008","90","","101.554","0.002","90","","5575.5","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H90 O10 Se2 -","- C60 H90 O10 Se2 -","- C240 H360 O40 Se8 -","4","2","","Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz","Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.","Organic letters","2012","14","10","2568","2571","10.1021/ol300870s","","","0.71073","MoKα","","0.0556","0.0463","","","0.1112","0.116","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507696","9.2984","0.0001","9.2984","0.0001","124.047","0.001","90","","90","","120","","9288.24","0.16","130","2","130","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C76 H72 N2 O8 Se2 -","- C76 H72 N2 O8 Se2 -","- C456 H432 N12 O48 Se12 -","6","0.5","","Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz","Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.","Organic letters","2012","14","10","2568","2571","10.1021/ol300870s","","","1.54184","CuKα","","0.0571","0.057","","","0.1267","0.1267","","","","","","1.261","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507697","9.4185","0.0002","9.4185","0.0002","62.497","0.002","90","","90","","120","","4801.2","0.2","294","2","294","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C76 H72 N2 O8 Te2 -","- C76 H72 N2 O8 Te2 -","- C228 H216 N6 O24 Te6 -","3","0.5","","Olszewska, Teresa; Nowak, Elżbieta; Gdaniec, Maria; Połoński, Tadeusz","Helicity discrimination in diaryl dichalcogenides generated by inclusion complexation with chiral hosts.","Organic letters","2012","14","10","2568","2571","10.1021/ol300870s","","","0.71073","MoKα","","0.0585","0.0535","","","0.1072","0.1094","","","","","","1.154","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507698","11.4323","0.0006","14.1887","0.0008","16.0973","0.0009","90","","90","","90","","2611.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CE-OHPHENYLIMINE","","","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","- C120 H128 N8 O24 -","4","1","","Basa, Prem N.; Bhowmick, Arundhati; Horn, Lashawn Medicine; Sykes, Andrew G.","Zinc(II) Mediated Imine-Enamine Tautomerization.","Organic letters","2012","14","11","2698","2701","10.1021/ol300874c","","","0.71073","MoKα","","0.0527","0.0424","","","0.1069","0.1132","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507699","27.921","0.004","7.0957","0.001","8.9295","0.0013","90","","108.305","0.004","90","","1679.6","0.4","133","2","133","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H20 Br N O2 -","- C19 H20 Br N O2 -","- C76 H80 Br4 N4 O8 -","4","1","","Xu, Qing-Long; Dai, Li-Xin; You, Shu-Li","Enantioselective synthesis of tetrahydroisoquinolines via iridium-catalyzed intramolecular Friedel-Crafts-type allylic alkylation of phenols.","Organic letters","2012","14","10","2579","2581","10.1021/ol3008793","","","0.71073","MoKα","","0.0479","0.0324","","","0.0637","0.0781","","","","","","1.076","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507700","9.0786","0.0004","16.4153","0.0006","23.8705","0.0009","90","","90","","90","","3557.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 N4 O7 -","- C34 H52 N4 O7 -","- C136 H208 N16 O28 -","4","1","","Guo, Li; Zhang, Weicheng; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","New preorganized γ-amino acids as foldamer building blocks.","Organic letters","2012","14","10","2582","2585","10.1021/ol3008815","","","0.71073","MoKα","","0.0361","0.033","","","0.0893","0.0925","","","","","","0.837","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507701","15.1846","0.0003","15.1846","0.0003","46.045","0.0011","90","","90","","90","","10616.7","0.4","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C45 H70 N6 O9 -","- C45 H70 N6 O9 -","- C360 H560 N48 O72 -","8","1","","Guo, Li; Zhang, Weicheng; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","New preorganized γ-amino acids as foldamer building blocks.","Organic letters","2012","14","10","2582","2585","10.1021/ol3008815","","","1.54178","CuKα","","0.0832","0.0792","","","0.2197","0.2246","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507702","11.991","0.005","13.686","0.005","21.24","0.008","98.397","0.007","90.75","0.004","109.538","0.006","3243","2","93.15","","93.15","","","","","","","","","4","P -1","-P 1","2","","N,N'-Di(p-tolyl)-bis(dithienopyrrolo)thiophene","","- C26 H18 N2 S3 -","- C26 H18 N2 S3 -","- C156 H108 N12 S18 -","6","3","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.0474","0.0378","","","0.1001","0.1076","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507703","14.754","0.003","9.8396","0.0019","18.371","0.004","90","","93.811","0.003","90","","2661.1","0.9","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N'-Bis(4-butylphenyl)trithienodipyrrole","","- C32 H30 N2 S3 -","- C32 H30 N2 S3 -","- C128 H120 N8 S12 -","4","2","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.0513","0.0411","","","0.106","0.1226","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507704","12.389","0.005","12.657","0.005","13.997","0.006","90","","92.593","0.009","90","","2192.6","1.6","93.15","","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-di(p-anisyl)bis(thienopyrrolo)thiophene","","- C26 H18 N2 O2 S3 -","- C26 H18 N2 O2 S3 -","- C104 H72 N8 O8 S12 -","4","1","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.0396","0.0315","","","0.0855","0.09","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507705","9.282","0.005","11.353","0.005","13.67","0.007","68.877","0.015","87.03","0.02","77.71","0.02","1312.4","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Dioctyl-bis(dithienopyrrolo)thiophene","","- C28 H38 N2 S3 -","- C28 H38 N2 S3 -","- C56 H76 N4 S6 -","2","1","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.0758","0.0502","","","0.1031","0.118","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507706","11.242","0.018","13.432","0.019","13.31","0.02","90","","110.2","0.03","90","","1886","5","93.15","","93.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Dibutyl-trithienodipyrrole","","- C20 H22 N2 S3 -","- C20 H22 N2 S3 -","- C80 H88 N8 S12 -","4","1","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.137","0.0937","","","0.2318","0.2749","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507707","7.427","0.005","14.544","0.01","12.017","0.008","90","","97.754","0.008","90","","1286.2","1.5","100.15","","100.15","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N,N'-dimethyl-bis(dithienopyrrolo)thiophene","","","- C14 H10 N2 S3 -","- C14 H10 N2 S3 -","- C56 H40 N8 S12 -","4","1","","Mitsudo, Koichi; Shimohara, Shuichi; Mizoguchi, Jun; Mandai, Hiroki; Suga, Seiji","Synthesis of nitrogen-bridged terthiophenes by tandem buchwald-hartwig coupling and their properties.","Organic letters","2012","14","11","2702","2705","10.1021/ol300887t","","","0.71075","MoKα","","0.1605","0.1301","","","0.3011","0.3179","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507708","10.775","0.013","21.81","0.03","8.143","0.01","90","","108.88","0.014","90","","1811","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Xia, Xiao-Feng; Zhang, Lu-Lu; Song, Xian-Rong; Liu, Xue-Yuan; Liang, Yong-Min","Copper-catalyzed oxidative cyclization of enynes for the synthesis of 4-carbonyl-quinolines with O2.","Organic letters","2012","14","10","2480","2483","10.1021/ol300896h","","","0.71073","MoKα","","0.1837","0.097","","","0.2126","0.2669","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507709","12.2143","0.0019","20.809","0.003","7.8088","0.0012","90","","101.253","0.002","90","","1946.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Xia, Xiao-Feng; Zhang, Lu-Lu; Song, Xian-Rong; Liu, Xue-Yuan; Liang, Yong-Min","Copper-catalyzed oxidative cyclization of enynes for the synthesis of 4-carbonyl-quinolines with O2.","Organic letters","2012","14","10","2480","2483","10.1021/ol300896h","","","0.71073","MoKα","","0.0683","0.0437","","","0.0972","0.11","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507710","7.9368","0.001","31.757","0.004","9.0741","0.0011","90","","101.11","0.001","90","","2244.3","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl4 Cu2 N14 -","- C14 H14 Cl4 Cu2 N14 -","- C56 H56 Cl16 Cu8 N56 -","4","1","","Yuan, Zhao; Kuang, Gui-Chao; Clark, Ronald J.; Zhu, Lei","Chemoselective sequential ""click"" ligation using unsymmetrical bisazides.","Organic letters","2012","14","10","2590","2593","10.1021/ol300899n","","","0.71073","MoKα","","0.0318","0.0295","","","0.0679","0.0691","","","","","","0.971","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1507711","10.639","0.005","15.985","0.007","8.927","0.004","90","","110.069","0.005","90","","1426","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zheng, Danqing; Li, Shaoyu; Wu, Jie","An unexpected silver triflate catalyzed reaction of 2-alkynylbenzaldehyde with 2-isocyanoacetate.","Organic letters","2012","14","11","2655","2657","10.1021/ol300901x","","","0.71073","MoKα","","0.1124","0.0637","","","0.1818","0.2118","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507712","8.3985","0.0011","11.9291","0.0015","15.318","0.002","101.135","0.002","94.64","0.002","90.106","0.002","1500.6","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H16 N2 O S2 -","- C16 H16 N2 O S2 -","- C64 H64 N8 O4 S8 -","4","4","","Schönherr, Heike; Leighton, James L.","Direct and highly enantioselective iso-Pictet-Spengler reactions with α-ketoamides: access to underexplored indole core structures.","Organic letters","2012","14","10","2610","2613","10.1021/ol300922b","","","0.71073","MoKα","","0.0751","0.0516","","","0.1048","0.1173","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507713","12.772","0.001","18.1424","0.0015","17.4735","0.0014","90","","90","","90","","4048.9","0.6","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C23 H21.5 Br0.5 F2 N3 O -","- C23 H21.5 Br0.5 F2 N3 O -","- C184 H172 Br4 F16 N24 O8 -","8","1","","Schönherr, Heike; Leighton, James L.","Direct and highly enantioselective iso-Pictet-Spengler reactions with α-ketoamides: access to underexplored indole core structures.","Organic letters","2012","14","10","2610","2613","10.1021/ol300922b","","","0.71073","MoKα","","0.0877","0.05","","","0.115","0.1332","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507714","10.8538","0.0004","8.9514","0.0004","15.9329","0.0006","90","","104.028","0.004","90","","1501.82","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Miao, Maozhong; Cao, Jian; Zhang, Jingjing; Huang, Xian; Wu, Luling","PdCl(2)-Catalyzed Oxidative Cycloisomerization of 3-Cyclopropylideneprop-2-en-1-ones.","Organic letters","2012","14","11","2718","2721","10.1021/ol300927n","","","1.54184","CuKα","","0.0642","0.0455","","","0.124","0.1361","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507715","9.0049","0.0007","9.2666","0.0008","10.8332","0.001","110.973","0.008","96.112","0.007","113.906","0.008","737.42","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Miao, Maozhong; Cao, Jian; Zhang, Jingjing; Huang, Xian; Wu, Luling","PdCl(2)-Catalyzed Oxidative Cycloisomerization of 3-Cyclopropylideneprop-2-en-1-ones.","Organic letters","2012","14","11","2718","2721","10.1021/ol300927n","","","0.71073","MoKα","","0.0679","0.0389","","","0.0945","0.1017","","","","","","0.925","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507716","8.524","0.0003","8.2187","0.0002","12.2542","0.0004","90","","108.188","0.004","90","","815.59","0.05","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H15 N O S2 -","- C19 H15 N O S2 -","- C38 H30 N2 O2 S4 -","2","1","","Cai, Yunfei; Li, Jun; Chen, Weiliang; Xie, Mingsheng; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric sulfenylation of unprotected 3-substituted oxindoles.","Organic letters","2012","14","11","2726","2729","10.1021/ol3009446","","","0.7107","MoKα","","0.047","0.0373","","","0.0702","0.0749","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507717","8.3264","0.0004","9.6521","0.0005","15.9753","0.0009","90","","90","","90","","1283.89","0.12","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Wang, Guowei; Wang, Baomin; Qi, Shuai; Zhao, Jinfeng; Zhou, Yuhan; Qu, Jingping","Highly Enantio- and Diastereoselective Vinylogous Aldol Reaction by LiCl-Assisted BINOL-Titanium Species.","Organic letters","2012","14","11","2734","2737","10.1021/ol300946j","","","0.71073","MoKα","","0.0382","0.0293","","","0.0658","0.0684","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507718","7.384","0.0003","11.9448","0.0005","19.0988","0.0006","90","","90","","90","","1684.52","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 B Br N O3 -","- C17 H19 B Br N O3 -","- C68 H76 B4 Br4 N4 O12 -","4","1","","Niu, Liting; Yang, Haijun; Wang, Ruji; Fu, Hua","Metal-free ortho C-H borylation of 2-phenoxypyridines under mild conditions.","Organic letters","2012","14","10","2618","2621","10.1021/ol300950r","","","0.71073","MoKα","","0.0287","0.0251","","","0.0508","0.0519","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507719","42.39","0.02","13.376","0.006","7.32","0.003","90","","90.696","0.012","90","","4150","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 N O6 -","- C27 H21 N O6 -","- C216 H168 N8 O48 -","8","1","","Ma, Zhi-Xiong; Feltenberger, John B.; Hsung, Richard P.","Total Syntheses of Chelidonine and Norchelidonine via an Enamide-Benzyne-[2 + 2] Cycloaddition Cascade.","Organic letters","2012","14","11","2742","2745","10.1021/ol300967a","","","0.71073","MoKα","","0.1147","0.0588","","","0.1176","0.1443","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507720","7.3309","0.0007","9.447","0.0009","11.4605","0.0011","82.166","0.001","78","0.001","82.39","0.001","764.66","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","12089a","","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C38 H34 N2 O10 -","2","1","","Ma, Zhi-Xiong; Feltenberger, John B.; Hsung, Richard P.","Total Syntheses of Chelidonine and Norchelidonine via an Enamide-Benzyne-[2 + 2] Cycloaddition Cascade.","Organic letters","2012","14","11","2742","2745","10.1021/ol300967a","","","0.71073","MoKα","","0.0548","0.0418","","","0.1033","0.1121","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507721","8.3871","0.0008","12.0103","0.0012","25.88","0.003","90","","90","","90","","2606.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O -","- C17 H15 N O -","- C136 H120 N8 O8 -","8","2","","Richmond, Edward; Duguet, Nicolas; Slawin, Alexandra M. Z.; Lébl, Tomáš; Smith, Andrew D.","Asymmetric pericyclic cascade approach to spirocyclic oxindoles.","Organic letters","2012","14","11","2762","2765","10.1021/ol300982f","","","1.54178","CuKα","","0.0477","0.0414","","","0.1013","0.1081","","","","","","1.238","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507722","9.541","0.008","12.369","0.01","18.06","0.014","90","","95.405","0.017","90","","2122","3","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Alpha-gamma mixed peptide","U-dgF-U-dgF","","- C44 H58 N4 O7 -","- C44 H58 N4 O7 -","- C88 H116 N8 O14 -","2","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.","Organic letters","2012","14","11","2770","2773","10.1021/ol300987d","","x-ray","0.71073","MoKα","","0.1824","0.0866","","","0.1815","0.2338","","","","","","0.973","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507723","19.123","0.01","20.644","0.011","20.129","0.011","90","","98.135","0.011","90","","7866","7","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Alpha-gamma mixed peptide","Boc-Aib-gPhe-Aib-gPhe-OEt","","- C76 H114 N8 O15 -","- C76 H114 N8 O15 -","- C304 H456 N32 O60 -","4","2","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.","Organic letters","2012","14","11","2770","2773","10.1021/ol300987d","","x-ray","0.71073","MoKα","","0.1074","0.063","","","0.1527","0.1793","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507724","10.591","0.004","9.065","0.004","21.005","0.009","90","","92.232","0.011","90","","2015.1","1.5","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","Tetra peptide","Alpha gama mixed peptide","","- C38 H58 N4 O8 -","- C38 H58 N4 O8 -","- C76 H116 N8 O16 -","2","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.","Organic letters","2012","14","11","2770","2773","10.1021/ol300987d","","x-ray","0.71073","MoKα","","0.0974","0.0544","","","0.1318","0.1588","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507725","10.5245","0.0018","16.382","0.003","22.095","0.004","90","","90","","90","","3809.5","1.2","100","2","100","2","","","101.325","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","Alpa-gamma helix","Penta Peptide","","- C36 H52 Cl2 N5 O6 -","- C36 H52 Cl2 N5 O6 -","- C144 H208 Cl8 N20 O24 -","4","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.","Organic letters","2012","14","11","2770","2773","10.1021/ol300987d","","x-ray","0.71073","MoKα","","0.092","0.0511","","","0.118","0.1428","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507726","28.3019","0.0006","11.8093","0.0002","42.6587","0.0008","90","","90","","90","","14257.6","0.5","93","2","93","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C77 H86 N6 Ni O3 Si -","- C77 H87 N6 Ni O3 Si -","- C616 H696 N48 Ni8 O24 Si8 -","8","","","Anabuki, Shoma; Tokuji, Sumito; Aratani, Naoki; Osuka, Atsuhiro","Direct meso-Alkynylation of Porphyrins Doubly Assisted by Pyridyl Coordination.","Organic letters","2012","14","11","2778","2781","10.1021/ol301005b","","","1.54187","CuKα","","0.1275","0.0877","","","0.249","0.2968","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1507727","14.6275","0.0003","20.5197","0.0004","24.8238","0.0004","98.9918","0.0007","104.137","0.0007","94.1415","0.0007","7088.9","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C83.82 H87.76 Cl0.63 N7.5 Ni O0.18 -","- C83.814 H87.756 Cl0.628 N7.5 Ni O0.186 -","- C335.256 H351.024 Cl2.512 N30 Ni4 O0.744 -","4","2","","Anabuki, Shoma; Tokuji, Sumito; Aratani, Naoki; Osuka, Atsuhiro","Direct meso-Alkynylation of Porphyrins Doubly Assisted by Pyridyl Coordination.","Organic letters","2012","14","11","2778","2781","10.1021/ol301005b","","","1.54187","CuKα","","0.0949","0.0648","","","0.1664","0.1911","","","","","","1.077","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507728","13.467","0.005","16.348","0.005","18.59","0.005","103.845","0.005","105.316","0.005","106.968","0.005","3547","2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H90 N6 Ni O -","- C87 H90 N6 Ni O -","- C174 H180 N12 Ni2 O2 -","2","1","","Anabuki, Shoma; Tokuji, Sumito; Aratani, Naoki; Osuka, Atsuhiro","Direct meso-Alkynylation of Porphyrins Doubly Assisted by Pyridyl Coordination.","Organic letters","2012","14","11","2778","2781","10.1021/ol301005b","","","0.71069","MoKα","","0.058","0.043","","","0.1086","0.1168","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507729","10.193","0.004","19.516","0.007","15.403","0.005","90","","99.406","0.005","90","","3022.9","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 N3 O3 S -","- C34 H31 N3 O3 S -","- C136 H124 N12 O12 S4 -","4","1","","Huang, Ping; Chen, Zhiyuan; Yang, Qin; Peng, Yiyuan","Silver Triflate and Palladium Acetate Co-catalyzed Reaction of N'-(2-Alkynylbenzylidene)hydrazide with N-Allyl Ynamide.","Organic letters","2012","14","11","2790","2793","10.1021/ol301023m","","","0.71073","MoKα","","0.1177","0.0877","","","0.2214","0.2586","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507730","9.873","0.004","19.441","0.008","15.21","0.006","90","","98.172","0.005","90","","2890","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 N3 O2 S -","- C33 H29 N3 O2 S -","- C132 H116 N12 O8 S4 -","4","1","","Huang, Ping; Chen, Zhiyuan; Yang, Qin; Peng, Yiyuan","Silver Triflate and Palladium Acetate Co-catalyzed Reaction of N'-(2-Alkynylbenzylidene)hydrazide with N-Allyl Ynamide.","Organic letters","2012","14","11","2790","2793","10.1021/ol301023m","","","0.71073","MoKα","","0.0763","0.058","","","0.1682","0.1827","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507731","9.394","0.006","16.031","0.01","21.988","0.013","73.431","0.009","87.436","0.009","82.031","0.009","3143","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl N3 O2 S -","- C34 H26 Cl N3 O2 S -","- C136 H104 Cl4 N12 O8 S4 -","4","2","","Huang, Ping; Chen, Zhiyuan; Yang, Qin; Peng, Yiyuan","Silver Triflate and Palladium Acetate Co-catalyzed Reaction of N'-(2-Alkynylbenzylidene)hydrazide with N-Allyl Ynamide.","Organic letters","2012","14","11","2790","2793","10.1021/ol301023m","","","0.71073","MoKα","","0.1454","0.07","","","0.1727","0.1976","","","","","","0.821","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507732","9.1324","0.0011","12.9705","0.0015","15.2515","0.0018","90","","102.85","0.002","90","","1761.3","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C80 H96 N8 O8 -","4","1","","Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami","Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization.","Organic letters","2012","14","10","2638","2641","10.1021/ol301033r","","","0.71073","MoKα","","0.0483","0.0398","","","0.1041","0.1095","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507733","10.132","0.0012","15.1023","0.0017","28.17","0.003","90","","90","","90","","4310.5","0.8","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H33 N3 O2 -","- C24 H33 N3 O2 -","- C192 H264 N24 O16 -","8","1","","Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami","Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization.","Organic letters","2012","14","10","2638","2641","10.1021/ol301033r","","","0.71073","MoKα","","0.0831","0.0508","","","0.1277","0.1451","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507734","7.1143","0.0018","16.557","0.004","18.936","0.005","90","","96.93","0.003","90","","2214.2","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 N3 O2 -","- C24 H33 N3 O2 -","- C96 H132 N12 O8 -","4","1","","Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami","Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization.","Organic letters","2012","14","10","2638","2641","10.1021/ol301033r","","","0.71073","MoKα","","0.0896","0.0503","","","0.1147","0.1291","","","","","","0.97","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507735","32.779","0.008","8.926","0.002","15.402","0.004","90","","94.48","0.003","90","","4492.6","1.9","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 N2 O3 -","- C24 H36 N2 O3 -","- C192 H288 N16 O24 -","8","1","","Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami","Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization.","Organic letters","2012","14","10","2638","2641","10.1021/ol301033r","","","0.71073","MoKα","","0.0581","0.0396","","","0.1053","0.1214","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507736","10.7701","0.0004","10.5227","0.0005","14.5151","0.0006","90","","93.295","0.002","90","","1642.28","0.12","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke","Formal [4 + 1]- and [5 + 1]-annulation by an s(n)2-conjugate addition sequence: stereoselective synthesis of highly substituted carbocycles.","Organic letters","2012","14","11","2826","2829","10.1021/ol301044e","","","0.71073","MoKα","","0.0658","0.0517","","","0.1259","0.1348","","","","","","1.038","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507737","7.5986","0.0006","10.3898","0.0007","11.2916","0.0009","102.82","0.002","98.634","0.002","97.615","0.002","846.57","0.11","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C34 H42 N2 O8 S2 -","2","1","","Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke","Formal [4 + 1]- and [5 + 1]-annulation by an s(n)2-conjugate addition sequence: stereoselective synthesis of highly substituted carbocycles.","Organic letters","2012","14","11","2826","2829","10.1021/ol301044e","","","0.71073","MoKα","","0.047","0.0356","","","0.1043","0.1245","","","","","","1.173","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507738","10.6939","0.0007","7.748","0.0004","21.8687","0.0012","90","","103.094","0.002","90","","1764.85","0.18","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C76 H84 N4 O16 S4 -","4","1","","Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke","Formal [4 + 1]- and [5 + 1]-annulation by an s(n)2-conjugate addition sequence: stereoselective synthesis of highly substituted carbocycles.","Organic letters","2012","14","11","2826","2829","10.1021/ol301044e","","","0.71073","MoKα","","0.0405","0.0346","","","0.0915","0.0953","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507739","10.0332","0.0005","6.9108","0.0004","22.1287","0.0012","90","","102.252","0.003","90","","1499.4","0.14","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke","Formal [4 + 1]- and [5 + 1]-annulation by an s(n)2-conjugate addition sequence: stereoselective synthesis of highly substituted carbocycles.","Organic letters","2012","14","11","2826","2829","10.1021/ol301044e","","","0.71073","MoKα","","0.0663","0.0466","","","0.1226","0.139","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507740","17.4558","0.0005","4.8179","0.0001","17.8594","0.0005","90","","108.199","0.001","90","","1426.85","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Scully, Stephen S.; Porco, Jr, John A","Studies toward the synthesis of the epoxykinamycin FL-120B': discovery of a decarbonylative photocyclization.","Organic letters","2012","14","10","2646","2649","10.1021/ol3010563","","","1.54178","CuKα","","0.0356","0.0325","","","0.088","0.0914","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507741","5.7593","0.0002","8.8488","0.0003","36.9618","0.0011","90","","90","","90","","1883.68","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","11-Gorgiacerol","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Weinstabl, Harald; Gaich, Tanja; Mulzer, Johann","Application of the rodriguez-pattenden photo-ring contraction: total synthesis and configurational reassignment of 11-gorgiacerol and 11-epigorgiacerol.","Organic letters","2012","14","11","2834","2837","10.1021/ol301068h","","","0.71073","MoKα","","0.0963","0.0603","","","0.1257","0.1369","","","","","","0.979","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507742","6.4244","0.0004","10.3175","0.0006","16.0232","0.001","90","","90.012","0.003","90","","1062.08","0.11","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","Furanocembranolide-1","","","- C23 H26 O7 -","- C23 H26 O7 -","- C46 H52 O14 -","2","1","","Weinstabl, Harald; Gaich, Tanja; Mulzer, Johann","Application of the rodriguez-pattenden photo-ring contraction: total synthesis and configurational reassignment of 11-gorgiacerol and 11-epigorgiacerol.","Organic letters","2012","14","11","2834","2837","10.1021/ol301068h","","","0.71073","MoKα","","0.082","0.0485","","","0.1003","0.1158","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507743","13.3427","0.0007","12.7932","0.0006","14.2313","0.0007","90","","98.272","0.004","90","","2404","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","2","","Bhakuni, Bhagat Singh; Kumar, Amit; Balkrishna, Shah Jaimin; Sheikh, Javeed Ahmed; Konar, Sanjit; Kumar, Sangit","KO(t)Bu Mediated Synthesis of Phenanthridinones and Dibenzoazepinones.","Organic letters","2012","14","11","2838","2841","10.1021/ol301077y","","","0.71073","MoKα","","0.1509","0.0616","","","0.1495","0.1994","","","","","","0.928","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507744","8.2806","0.0006","8.7559","0.0002","11.7722","0.0002","84.347","0.007","73.511","0.007","68.007","0.005","758.84","0.07","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C34 H44 O8 -","2","1","","Liu, Xiaozu; Lee, Chi-Sing","Total synthesis of (-)-teucvidin.","Organic letters","2012","14","11","2886","2889","10.1021/ol301098s","","","1.54178","CuKα","","0.0716","0.0555","","","0.1269","0.1381","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507745","10.7574","0.0003","12.2142","0.0003","15.6004","0.0004","90","","108.304","0.002","90","","1946.07","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 N2 O6 -","- C18 H30 N2 O6 -","- C72 H120 N8 O24 -","4","1","","Malinowski, Justin T.; McCarver, Stefan J.; Johnson, Jeffrey S.","Diastereocontrolled Construction of Pactamycin's Complex Ureido Triol Functional Array.","Organic letters","2012","14","11","2878","2881","10.1021/ol301140c","","","0.71073","CuKα","","0.06","0.044","","","0.1019","0.1111","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507746","10.5036","0.0004","23.9728","0.0011","12.1982","0.0007","90","","106.159","0.003","90","","2950.2","0.2","150","0.02","150","0.02","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 O4 S3 Si -","- C28 H42 O4 S3 Si -","- C112 H168 O16 S12 Si4 -","4","1","","Sikervar, Vikas; Fuchs, Philip L.","Intramolecular Methylation of an Allyl Sulfone via Lithium Alkoxyaluminate; Application to the Enantioselective Synthesis of the CD Ring of Vitamin D(3).","Organic letters","2012","14","11","2922","2924","10.1021/ol301144a","","","1.54184","CU-Kα","","0.064","0.062","","","0.173","0.176","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507747","7.5316","0.0001","31.8491","0.0006","9.4105","0.0002","90","","100.351","0.0012","90","","2220.61","0.07","150","0.02","150","0.02","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 S Si -","- C21 H32 O4 S Si -","- C84 H128 O16 S4 Si4 -","4","2","","Sikervar, Vikas; Fuchs, Philip L.","Intramolecular Methylation of an Allyl Sulfone via Lithium Alkoxyaluminate; Application to the Enantioselective Synthesis of the CD Ring of Vitamin D(3).","Organic letters","2012","14","11","2922","2924","10.1021/ol301144a","","","0.71073","MO-Kα","","0.073","0.052","","","0.124","0.134","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507748","5.036","0.0002","10.9704","0.0005","11.4714","0.0005","89.596","0.002","84.698","0.002","86.513","0.002","629.88","0.05","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H28 Br N O6 -","- C27 H28 Br N O6 -","- C27 H28 Br N O6 -","1","1","","Yang, Limin; Wang, Fei; Chua, Pei Juan; Lv, Yunbo; Zhong, Liang-Jun; Zhong, Guofu","N-Heterocyclic Carbene (NHC)-Catalyzed Highly Diastereo- and Enantioselective Oxo-Diels-Alder Reactions for Synthesis of Fused Pyrano[2,3-b]indoles.","Organic letters","2012","14","11","2894","2897","10.1021/ol301175z","","","0.71073","MoKα","","0.0388","0.0315","","","0.0694","0.1022","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507749","10.8231","0.0002","11.2308","0.0002","19.5924","0.0004","90","","90","","90","","2381.5","0.08","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O5 Si -","- C23 H34 O5 Si -","- C92 H136 O20 Si4 -","4","1","","Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio","Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.","Organic letters","2012","14","11","2902","2905","10.1021/ol301191u","","","1.54187","CuKα","","","0.0417","","","","0.1045","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507750","6.33447","0.00014","8.09469","0.00016","34.4211","0.0007","90","","90","","90","","1764.96","0.06","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O5 Si -","- C17 H24 O5 Si -","- C68 H96 O20 Si4 -","4","1","","Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio","Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.","Organic letters","2012","14","11","2902","2905","10.1021/ol301191u","","","1.54187","CuKα","","","0.0428","","","","0.1086","","","","","","1.113","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507751","6.70836","0.00013","11.9909","0.0002","17.7089","0.0003","90","","90","","90","","1424.49","0.04","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 Si -","- C15 H20 O3 Si -","- C60 H80 O12 Si4 -","4","1","","Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio","Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.","Organic letters","2012","14","11","2902","2905","10.1021/ol301191u","","","1.54187","CuKα","","","0.0349","","","","0.0918","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507752","10.26586","0.00019","10.791","0.0002","18.0287","0.0003","77.9626","0.001","72.5847","0.0009","71.159","0.001","1789.64","0.06","93.1","","93","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 O4 P2 Pd -","- C42 H36 O4 P2 Pd -","- C84 H72 O8 P4 Pd2 -","2","1","","Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio","Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.","Organic letters","2012","14","11","2902","2905","10.1021/ol301191u","","","1.54187","CuKα","","","0.0373","","","","0.0925","","","","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507753","13.2027","0.0003","17.3219","0.0004","7.9128","0.0002","90","","105.257","0.0015","90","","1745.85","0.07","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Synthesis of 1,2-Disubstituted Cyclopentenes by Palladium-Catalyzed Reaction of Homopropargyl-Substituted Dicarbonyl Compounds with Organic Halides via 5-Endo-Dig Cyclization.","Organic letters","2012","14","11","2914","2917","10.1021/ol301257m","","","1.54187","CuKα","","0.0563","0.0462","","","0.1068","0.1154","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507810","15.001","0.003","13.206","0.003","15.517","0.003","90","","102.3","0.03","90","","3003.4","1.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H34 N2 -","- C38 H34 N2 -","- C152 H136 N8 -","4","2","","Periasamy, Mariappan; Sanjeevakumar, Nalluri; Dalai, Manasi; Gurubrahamam, Ramani; Reddy, Polimera Obula","Highly enantioselective synthesis of chiral allenes by sequential creation of stereogenic center and chirality transfer in a single pot operation.","Organic letters","2012","14","12","2932","2935","10.1021/ol300717e","","","0.71073","MoKα","","0.0909","0.0677","","","0.1121","0.1164","","","","","","1.223","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507811","5.884","0.001","14.26","0.003","17.526","0.003","70.967","0.002","82.158","0.002","86.783","0.002","1377","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 Cl6 N4 O4 S2 -","- C54 H62 Cl6 N4 O4 S2 -","- C54 H62 Cl6 N4 O4 S2 -","1","0.5","","Chang, Jingjing; Ye, Qun; Huang, Kuo-Wei; Zhang, Jie; Chen, Zhi-Kuan; Wu, Jishan; Chi, Chunyan","Stepwise cyanation of naphthalene diimide for n-channel field-effect transistors.","Organic letters","2012","14","12","2964","2967","10.1021/ol300914k","","","0.71073","MoKα","","0.0877","0.0581","","","0.1276","0.144","","","","","","1.161","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507812","8.1417","0.0017","14.59","0.003","17.092","0.004","90","","102.781","0.004","90","","1980","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","2-Formyl-3-(4-fluorophenyl)bicyclo[2.2.1]hept-5-en-2-yl carbamothioate","","","- C21 H26 F N O2 S -","- C21 H26 F N O2 S -","- C84 H104 F4 N4 O8 S4 -","4","2","","Sakakura, Akira; Yamada, Hiroki; Ishihara, Kazuaki","Enantioselective Diels-Alder reaction of α-(acylthio)acroleins: a new entry to sulfur-containing chiral quaternary carbons.","Organic letters","2012","14","12","2972","2975","10.1021/ol300921f","","","0.71073","MoKα","","0.0812","0.0711","","","0.1946","0.2071","","","","","","0.922","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507813","4.7913","0.0004","9.2022","0.0008","17.0967","0.0013","102.353","0.006","95.337","0.006","95.155","0.006","728.48","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Cl O4 -","- C17 H15 Cl O4 -","- C34 H30 Cl2 O8 -","2","1","","Trosien, Simon; Waldvogel, Siegfried R.","Synthesis of highly functionalized 9,10-phenanthrenequinones by oxidative coupling using MoCl5.","Organic letters","2012","14","12","2976","2979","10.1021/ol300948u","","","0.71073","MoKα","","0.0554","0.037","","","0.0913","0.1006","","","","","","1.02","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507814","24.3452","0.0014","8.79","0.0004","13.733","0.0009","90","","103.263","0.005","90","","2860.4","0.3","193","2","193","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","1-methyl-2,3,7-trimethoxyphenanthren-9-10-chinon","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","2","","Trosien, Simon; Waldvogel, Siegfried R.","Synthesis of highly functionalized 9,10-phenanthrenequinones by oxidative coupling using MoCl5.","Organic letters","2012","14","12","2976","2979","10.1021/ol300948u","","","0.71073","MoKα","","0.0623","0.0436","","","0.1108","0.1221","","","","","","1.012","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507815","16.947","0.0015","3.9892","0.0002","21.7053","0.0019","90","","91.504","0.007","90","","1466.9","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 I O5 -","- C17 H13 I O5 -","- C68 H52 I4 O20 -","4","1","","Trosien, Simon; Waldvogel, Siegfried R.","Synthesis of highly functionalized 9,10-phenanthrenequinones by oxidative coupling using MoCl5.","Organic letters","2012","14","12","2976","2979","10.1021/ol300948u","","","0.71073","MoKα","","0.0656","0.0426","","","0.1014","0.1128","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507816","21.578","0.006","3.9054","0.0012","13.11","0.004","90","","98.337","0.006","90","","1093.1","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 N4 -","- C30 H20 N4 -","- C60 H40 N8 -","2","0.5","","Mandal, Amal Kumar; Suresh, Moorthy; Das, Priyadip; Suresh, E.; Baidya, Mithu; Ghosh, Sudip K.; Das, Amitava","Recognition of Hg2+ ion through restricted imine isomerization: crystallographic evidence and imaging in live cells.","Organic letters","2012","14","12","2980","2983","10.1021/ol3009733","","","0.71073","MoKα","","0.1207","0.0983","","","0.1696","0.1781","","","","","","1.266","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507817","8.7014","0.0015","9.8508","0.0018","14.078","0.003","76.845","0.003","75.545","0.003","65.076","0.002","1049.3","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Cl6 Hg2 I4 N4 -","- C32 H22 Cl6 Hg2 I4 N4 -","- C32 H22 Cl6 Hg2 I4 N4 -","1","0.5","","Mandal, Amal Kumar; Suresh, Moorthy; Das, Priyadip; Suresh, E.; Baidya, Mithu; Ghosh, Sudip K.; Das, Amitava","Recognition of Hg2+ ion through restricted imine isomerization: crystallographic evidence and imaging in live cells.","Organic letters","2012","14","12","2980","2983","10.1021/ol3009733","","","0.71073","MoKα","","0.0494","0.0475","","","0.1177","0.1189","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507818","18.516","0.002","12.5559","0.0016","15.301","0.002","90","","127.05","0.002","90","","2839.1","0.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Hg2 I4 N4 -","- C22 H16 Hg2 I4 N4 -","- C88 H64 Hg8 I16 N16 -","4","0.5","","Mandal, Amal Kumar; Suresh, Moorthy; Das, Priyadip; Suresh, E.; Baidya, Mithu; Ghosh, Sudip K.; Das, Amitava","Recognition of Hg2+ ion through restricted imine isomerization: crystallographic evidence and imaging in live cells.","Organic letters","2012","14","12","2980","2983","10.1021/ol3009733","","","0.71073","MoKα","","0.0548","0.051","","","0.1236","0.1266","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507819","11.148","0.0001","18.6856","0.0002","26.1462","0.0003","90","","90","","90","","5446.44","0.1","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H24.5 Cl1.5 N2 O2 -","- C34.5 H24.5 Cl1.5 N2 O2 -","- C276 H196 Cl12 N16 O16 -","8","2","","Takaishi, Kazuto; Kawamoto, Masuki; Muranaka, Atsuya; Uchiyama, Masanobu","Fusion of photochromic reaction and synthetic reaction: photoassisted cyclization to highly strained chiral azobenzenophanes.","Organic letters","2012","14","13","3252","3255","10.1021/ol300992d","","","0.71073","MoKα","","0.1006","0.0713","","","0.1631","0.1797","","","","","","1.059","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507820","13.447","0.003","8.1328","0.0016","6.7939","0.0014","90","","98.88","0.03","90","","734.1","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","iodosodilactone","","","- C8 H3 I O4 -","- C8 H3 I O4 -","- C32 H12 I4 O16 -","4","1","","Tian, Jun; Gao, Wen-Chao; Zhou, Dong-Mei; Zhang, Chi","Recyclable hypervalent iodine(III) reagent iodosodilactone as an efficient coupling reagent for direct esterification, amidation, and peptide coupling.","Organic letters","2012","14","12","3020","3023","10.1021/ol301085v","","","0.71073","MoKα","","0.0343","0.0307","","","0.0951","0.0962","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507821","11.9632","0.0013","9.4235","0.001","17.273","0.002","90","","97.487","0.003","90","","1930.7","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Br Cl N O Ru -","- C19 H23 Br Cl N O Ru -","- C76 H92 Br4 Cl4 N4 O4 Ru4 -","4","1","","Chinnagolla, Ravi Kiran; Pimparkar, Sandeep; Jeganmohan, Masilamani","Ruthenium-catalyzed highly regioselective cyclization of ketoximes with alkynes by C-H bond activation: a practical route to synthesize substituted isoquinolines.","Organic letters","2012","14","12","3032","3035","10.1021/ol301091z","","","0.71073","MoKα","","0.0912","0.0611","","","0.1239","0.1336","","","","","","1.453","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507822","10.237","0.006","7.803","0.005","11.166","0.006","90","","95.959","0.011","90","","887.1","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C40 H48 Br2 N2 O4 -","2","1","","Cai, Quan; You, Shu-Li","Organocatalyzed enantioselective formal [4 + 2] cycloaddition of 2,3-disubstituted indole and methyl vinyl ketone.","Organic letters","2012","14","12","3040","3043","10.1021/ol301114z","","","0.71073","MoKα","","0.0403","0.0347","","","0.083","0.0856","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507823","11.315","","18.86","","20.017","","118.11","","94.13","","90","","3755.2","","95","2","95","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H34 S9 -","- C36 H34 S9 -","- C144 H136 S36 -","4","2","","Miyasaka, Makoto; Pink, Maren; Olankitwanit, Arnon; Rajca, Suchada; Rajca, Andrzej","Band gap of carbon-sulfur [N]helicenes.","Organic letters","2012","14","12","3076","3079","10.1021/ol3011437","","","0.43321","synchrotron","","0.1463","0.1158","","","0.3485","0.3843","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507824","9.5206","0.0004","10.0215","0.0004","10.2741","0.0004","90","","101.89","0.004","90","","959.23","0.07","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 N O5 S -","- C17 H25 N O5 S -","- C34 H50 N2 O10 S2 -","2","1","","Yang, Cui-Feng; Shen, Chen; Wang, Jian-Yong; Tian, Shi-Kai","A highly diastereoselective decarboxylative mannich reaction of β-keto acids with optically active N-sulfinyl α-imino esters.","Organic letters","2012","14","12","3092","3095","10.1021/ol301180z","","","0.71073","MoKα","","0.0654","0.0605","","","0.1668","0.1726","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507825","10.1645","0.0004","8.605","0.0003","11.9296","0.0005","90","","96.541","0.004","90","","1036.64","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","2","","Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Huang, Xiao-Jun; Bai, Liang-Liang; Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu; Wang, Yi-Tao; Zhang, Qing-Wen; Ye, Wen-Cai","Virosaines A and B, two new birdcage-shaped Securinega alkaloids with an unprecedented skeleton from Flueggea virosa.","Organic letters","2012","14","12","3096","3099","10.1021/ol301184j","","","1.54178","CuKα","","0.0377","0.033","","","0.077","0.08","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507826","10.2075","0.0013","30.954","0.004","11.965","0.0016","90","","107.043","0.002","90","","3614.5","0.8","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C69.5 H10 O3 S -","- C69.5 H9 O3 S -","- C278 H36 O12 S4 -","4","2","","Hashiguchi, Masahiko; Obata, Naoki; Maruyama, Masashi; Yeo, Kee Sheng; Ueno, Takao; Ikebe, Tomohiko; Takahashi, Isao; Matsuo, Yutaka","FeCl3-mediated synthesis of fullerenyl esters as low-LUMO acceptors for organic photovoltaic devices.","Organic letters","2012","14","13","3276","3279","10.1021/ol301186u","","","0.71073","MoKα","","0.137","0.1163","","","0.2896","0.3091","","","","","","1.015","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507827","9.898","0.0003","15.7352","0.0004","27.3241","0.0007","90","","98.3298","0.0015","90","","4210.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H14 O4 S2 -","- C77 H14 O4 S2 -","- C308 H56 O16 S8 -","4","1","","Hashiguchi, Masahiko; Obata, Naoki; Maruyama, Masashi; Yeo, Kee Sheng; Ueno, Takao; Ikebe, Tomohiko; Takahashi, Isao; Matsuo, Yutaka","FeCl3-mediated synthesis of fullerenyl esters as low-LUMO acceptors for organic photovoltaic devices.","Organic letters","2012","14","13","3276","3279","10.1021/ol301186u","","","1.54187","CuKα","","0.1457","0.0984","","","0.2266","0.2686","","","","","","1.276","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507828","16.0566","0.0003","14.0283","0.0003","18.1004","0.0004","90","","104.993","0.0011","90","","3938.26","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H18 O3 Si -","- C72 H18 O3 Si -","- C288 H72 O12 Si4 -","4","1","","Hashiguchi, Masahiko; Obata, Naoki; Maruyama, Masashi; Yeo, Kee Sheng; Ueno, Takao; Ikebe, Tomohiko; Takahashi, Isao; Matsuo, Yutaka","FeCl3-mediated synthesis of fullerenyl esters as low-LUMO acceptors for organic photovoltaic devices.","Organic letters","2012","14","13","3276","3279","10.1021/ol301186u","","","1.54187","CuKα","","0.1131","0.0786","","","0.186","0.2172","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507829","4.361","0.005","20.93","0.02","16.962","0.019","90","","95.511","0.013","90","","1541","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Br N O6 -","- C13 H14 Br N O6 -","- C52 H56 Br4 N4 O24 -","4","1","","Liu, Zhong-Quan; Zhao, Lixing; Shang, Xiaojie; Cui, Zili","Unexpected copper-catalyzed aerobic oxidative cleavage of C(sp3)-C(sp3) bond of glycol ethers.","Organic letters","2012","14","12","3218","3221","10.1021/ol301220s","","","0.71073","MoKα","","0.1292","0.0476","","","0.1011","0.1282","","","","","","0.947","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507830","9.3553","0.0006","9.9268","0.0006","11.9942","0.0008","86.655","0.005","81.665","0.005","77.005","0.005","1073.51","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Br N O3 S -","- C24 H18 Br N O3 S -","- C48 H36 Br2 N2 O6 S2 -","2","1","","Cheng, Dong; Ling, Fei; Li, Zexiang; Yao, Weijun; Ma, Cheng","Three-component assembly of conjugated enyne scaffolds via E-selective olefination of ynals.","Organic letters","2012","14","12","3146","3149","10.1021/ol3012277","","","0.71073","MoKα","","0.0627","0.0426","","","0.0944","0.1047","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507831","10.433","0.005","21.21","0.005","14.956","0.005","90","0.005","97.964","0.005","90","0.005","3278","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 N4 O5 -","- C30 H50 N4 O5 -","- C120 H200 N16 O20 -","4","1","","Dalapati, Sasanka; Jana, Sankar; Saha, Rajat; Alam, Md Akhtarul; Guchhait, Nikhil","Reusable amine-based structural motifs for green house gas (CO2) fixation.","Organic letters","2012","14","13","3244","3247","10.1021/ol301241k","","","0.71073","MoKα","","0.2317","0.1027","","","0.3005","0.3921","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507832","10.034","0.002","13.027","0.003","14.264","0.005","116.27","0.004","104.228","0.004","97.627","0.003","1556.8","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H49 N5 O5 -","- C29 H49 N5 O5 -","- C58 H98 N10 O10 -","2","1","","Dalapati, Sasanka; Jana, Sankar; Saha, Rajat; Alam, Md Akhtarul; Guchhait, Nikhil","Reusable amine-based structural motifs for green house gas (CO2) fixation.","Organic letters","2012","14","13","3244","3247","10.1021/ol301241k","","","0.71073","MoKα","","0.1119","0.0518","","","0.1345","0.1653","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507833","10.213","0.005","12.195","0.005","14.857","0.005","112.128","0.005","108.309","0.005","90.296","0.005","1611.2","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H50 N6 O5 -","- C31 H50 N6 O5 -","- C62 H100 N12 O10 -","2","1","","Dalapati, Sasanka; Jana, Sankar; Saha, Rajat; Alam, Md Akhtarul; Guchhait, Nikhil","Reusable amine-based structural motifs for green house gas (CO2) fixation.","Organic letters","2012","14","13","3244","3247","10.1021/ol301241k","","","0.71073","MoKα","","0.1263","0.0695","","","0.1761","0.2285","","","","","","0.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507834","15.8912","0.0016","8.1477","0.0006","21.033","0.002","90","","108.855","0.002","90","","2577.2","0.4","153","2","153","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 -","- C66 H54 -","- C132 H108 -","2","0.5","","Kayahara, Eiichi; Sakamoto, Yoichi; Suzuki, Toshiyasu; Yamago, Shigeru","Selective synthesis and crystal structure of [10]cycloparaphenylene.","Organic letters","2012","14","13","3284","3287","10.1021/ol301242t","","","0.7107","MoKα","","0.0973","0.0772","","","0.2008","0.2207","","","","","","1.131","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507835","10.975","0.002","20.829","0.004","11.516","0.002","90","","97.85","0.03","90","","2607.9","0.8","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C114 H102 Br6 N12 O18 -","6","3","","Liu, Zhaoqun; Feng, Xiangqing; Du, Haifeng","Rhodium-catalyzed asymmetric formal cycloadditions of racemic butadiene monoxide with imines.","Organic letters","2012","14","12","3154","3157","10.1021/ol301248d","","","0.71073","MoKα","","0.0538","0.0472","","","0.0931","0.0967","","","","","","1.061","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507836","8.046","0.001","11.013","0.002","11.157","0.002","91.39","0.003","101.802","0.006","106.531","0.004","924.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23.29 H23.58 N O2 -","- C23.288 H23.576 N O2 -","- C46.576 H47.152 N2 O4 -","2","1","","He, Long; Bekkaye, Mathieu; Retailleau, Pascal; Masson, Géraldine","Chiral phosphoric acid catalyzed inverse-electron-demand aza-Diels-Alder reaction of isoeugenol derivatives.","Organic letters","2012","14","12","3158","3161","10.1021/ol301251h","","","0.7107","MoKα","","0.0983","0.0655","","","0.1765","0.1992","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507837","24.3719","0.0019","10.2345","0.0007","14.8466","0.0011","90","","99.345","0.001","90","","3654.1","0.5","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 F6 N3 P -","- C17 H20 F6 N3 P -","- C136 H160 F48 N24 P8 -","8","1","","Hutt, Johnathon T.; Jo, Junyong; Olasz, András; Chen, Chun-Hsing; Lee, Dongwhan; Aron, Zachary D.","Fluorescence switching of imidazo[1,5-a]pyridinium ions: pH-sensors with dual emission pathways.","Organic letters","2012","14","12","3162","3165","10.1021/ol3012524","","","0.71073","MoKα","","0.0971","0.0877","","0.2454","0.2263","0.2412","","","","","","1.0111","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507838","8.2684","0.0009","15.0353","0.0015","11.4331","0.0012","90","","103.699","0.0013","90","","1380.9","0.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H26 Br N3 O4 S -","- C30 H26 Br N3 O4 S -","- C60 H52 Br2 N6 O8 S2 -","2","1","","Nakamura, Shuichi; Maeno, Yuri; Ohara, Mutsuyo; Yamamura, Akiko; Funahashi, Yasuhiro; Shibata, Norio","Enantioselective synthesis of imidazolines with quaternary stereocenters by organocatalytic reaction of N-(heteroarenesulfonyl)imines with isocyanoacetates.","Organic letters","2012","14","12","2960","2963","10.1021/ol301256q","","","0.7107","MoKα","","","0.0257","","","","0.025","","","","","","0.951","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507839","7.5051","0.0016","12.37","0.003","9.944","0.003","90","","99.383","0.008","90","","910.8","0.4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H25 N2 O7 P -","- C12 H25 N2 O7 P -","- C24 H50 N4 O14 P2 -","2","1","","Tripathi, Chandra Bhushan; Kayal, Satavisha; Mukherjee, Santanu","Catalytic asymmetric synthesis of α,β-disubstituted α,γ-diaminophosphonic acid precursors by Michael addition of α-substituted nitrophosphonates to nitroolefins.","Organic letters","2012","14","13","3296","3299","10.1021/ol3012666","","","0.71073","MoKα","","0.0412","0.0372","","","0.0989","0.1023","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507840","8.5395","0.0005","7.7736","0.0005","19.64","0.0013","90","","90.848","0.006","90","","1303.61","0.14","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 I O5 -","- C12 H13 I O5 -","- C48 H52 I4 O20 -","4","1","","Zhu, Chenjie; Yoshimura, Akira; Ji, Lei; Wei, Yunyang; Nemykin, Victor N.; Zhdankin, Viktor V.","Design, preparation, X-ray crystal structure, and reactivity of o-alkoxyphenyliodonium bis(methoxycarbonyl)methanide, a highly soluble carbene precursor.","Organic letters","2012","14","12","3170","3173","10.1021/ol301268j","","","0.71075","MoKα","","0.0485","0.0448","","0.1206","0.1177","0.1206","","","","","","1.0164","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507841","9.3953","0.0005","10.2384","0.0005","10.6318","0.0007","95.355","0.007","92.172","0.007","109.933","0.008","954.58","0.11","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 O4 P -","- C23 H21 O4 P -","- C46 H42 O8 P2 -","2","1","","Zhu, Chenjie; Yoshimura, Akira; Ji, Lei; Wei, Yunyang; Nemykin, Victor N.; Zhdankin, Viktor V.","Design, preparation, X-ray crystal structure, and reactivity of o-alkoxyphenyliodonium bis(methoxycarbonyl)methanide, a highly soluble carbene precursor.","Organic letters","2012","14","12","3170","3173","10.1021/ol301268j","","","0.71075","MoKα","","0.0603","0.0519","","0.1062","0.0908","0.1062","","","","","","1.0697","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507842","5.5663","0.0003","17.8925","0.0009","16.0834","0.0011","90","","90.338","0.006","90","","1601.8","0.16","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C68 H56 O16 S4 -","4","1","","Zhu, Chenjie; Yoshimura, Akira; Ji, Lei; Wei, Yunyang; Nemykin, Victor N.; Zhdankin, Viktor V.","Design, preparation, X-ray crystal structure, and reactivity of o-alkoxyphenyliodonium bis(methoxycarbonyl)methanide, a highly soluble carbene precursor.","Organic letters","2012","14","12","3170","3173","10.1021/ol301268j","","","0.71075","MoKα","","0.0535","0.0447","","0.1247","0.1209","0.1247","","","","","","0.9546","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507843","9.5624","0.001","8.3375","0.0006","10.6822","0.0011","90","","93.6","0.007","90","","849.97","0.14","98","2","98","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-Methyl-2-(1-benzyl-7-bromo-3-hydroxy-2-oxoindolin-3-yl)acetate","","- C18 H16 Br N O4 -","- C18 H16 Br N O4 -","- C36 H32 Br2 N2 O8 -","2","1","","Guang, Jie; Guo, Qunsheng; Zhao, John Cong-Gui","Acetylphosphonate as a surrogate of acetate or acetamide in organocatalyzed enantioselective aldol reactions.","Organic letters","2012","14","12","3174","3177","10.1021/ol301270w","","","0.71073","MoKα","","0.0245","0.0235","","","0.0583","0.0587","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507844","10.1912","0.0012","15.9298","0.0019","14.5217","0.0016","90","","92.185","0.007","90","","2355.8","0.5","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(S)-methyl-2-[(R)-3-hydroxy-2-oxo-1-tritylindolin-3-yl]propanoate","","- C31 H27 N O4 -","- C31 H27 N O4 -","- C124 H108 N4 O16 -","4","1","","Guang, Jie; Guo, Qunsheng; Zhao, John Cong-Gui","Acetylphosphonate as a surrogate of acetate or acetamide in organocatalyzed enantioselective aldol reactions.","Organic letters","2012","14","12","3174","3177","10.1021/ol301270w","","","0.71073","MoKα","","0.083","0.0543","","","0.1094","0.1197","","","","","","0.994","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507845","13.467","0.007","5.711","0.003","13.534","0.007","90","","113.897","0.005","90","","951.7","0.9","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Br N O3 -","- C22 H20 Br N O3 -","- C44 H40 Br2 N2 O6 -","2","1","","Sakamoto, Tsubasa; Mori, Keiji; Akiyama, Takahiko","Chiral phosphoric acid catalyzed enantioselective transfer deuteration of ketimines by use of benzothiazoline as a deuterium donor: synthesis of optically active deuterated amines.","Organic letters","2012","14","13","3312","3315","10.1021/ol3012869","","","0.71073","MoKα","","0.1254","0.0827","","","0.1922","0.2236","","","","","","1.045","","","","has coordinates,has disorder","201954","2020-10-21","18:00:00",""
"1507846","28.067","0.003","10.0691","0.0008","26.044","0.004","90","","111.161","0.013","90","","6864","1.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 O16 -","- C32 H32 O16 -","- C256 H256 O128 -","8","1","","Li, Erwei; Zhang, Fan; Niu, Shubin; Liu, Xingzhong; Liu, Gang; Che, Yongsheng","A spiro[chroman-3,7'-isochromene]-4,6'(8'H)-dione from the Cordyceps-colonizing fungus Fimetariella sp.","Organic letters","2012","14","13","3320","3323","10.1021/ol3012919","","","0.71073","MoKα","","0.1174","0.0682","","","0.1431","0.1614","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507847","11.242","0.002","8.824","0.0015","13.102","0.002","90","","111.394","0.007","90","","1210.2","0.4","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron","Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols.","Organic letters","2012","14","13","3324","3327","10.1021/ol301297k","","","0.71073","MoKα","","0.0668","0.0405","","","0.1165","0.1419","","","","","","0.917","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507848","10.86","0.003","17.451","0.005","8.049","0.002","90","","90","","90","","1525.4","0.7","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C17 H15 Br O4 -","- C17 H15 Br O4 -","- C68 H60 Br4 O16 -","4","1","","Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron","Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols.","Organic letters","2012","14","13","3324","3327","10.1021/ol301297k","","","0.71073","MoKα","","0.0985","0.052","","","0.1147","0.1404","","","","","","0.986","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507849","28.802","0.003","6.2913","0.0009","20.598","0.002","90","","129.118","0.005","90","","2895.8","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 O3 -","- C20 H12 O3 -","- C160 H96 O24 -","8","1","","Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron","Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols.","Organic letters","2012","14","13","3324","3327","10.1021/ol301297k","","","0.71073","MoKα","","0.1172","0.0535","","","0.1501","0.2199","","","","","","0.885","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507850","9.706","0.003","10.487","0.004","21.638","0.007","90","","90","","90","","2202.5","1.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O4 -","- C26 H32 O4 -","- C104 H128 O16 -","4","1","","Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron","Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols.","Organic letters","2012","14","13","3324","3327","10.1021/ol301297k","","","0.71073","MoKα","","0.1052","0.0626","","","0.1297","0.1508","","","","","","0.985","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507851","6.8449","0.0006","14.8828","0.0012","13.9266","0.0011","90","","102.129","0.002","90","","1387.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O3 -","- C18 H12 N2 O3 -","- C72 H48 N8 O12 -","4","1","","Yan, Jianwei; Cheng, Ming; Hu, Feng; Hu, Youhong","Direct synthesis of functional azaxanthones by using a domino three-component reaction.","Organic letters","2012","14","12","3206","3209","10.1021/ol3013099","","","0.71073","MoKα","","0.0609","0.0465","","","0.1146","0.126","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507852","14.1386","0.0019","6.9808","0.001","17.394","0.002","90","","101.471","0.002","90","","1682.5","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N O2 -","- C24 H15 N O2 -","- C96 H60 N4 O8 -","4","1","","Yan, Jianwei; Cheng, Ming; Hu, Feng; Hu, Youhong","Direct synthesis of functional azaxanthones by using a domino three-component reaction.","Organic letters","2012","14","12","3206","3209","10.1021/ol3013099","","","0.71073","MoKα","","0.0593","0.0545","","","0.1754","0.1794","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507853","9.376","0.006","10.638","0.003","12.234","0.003","115.738","0.006","100.251","0.008","90.978","0.008","1075.5","0.8","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 I O4 -","- C22 H27 I O4 -","- C44 H54 I2 O8 -","2","1","","Gao, Peng; Cook, Silas P.","A reductive-Heck approach to the hydroazulene ring system: a formal synthesis of the englerins.","Organic letters","2012","14","13","3340","3343","10.1021/ol3013167","","","0.71073","MoKα","","0.0672","0.0386","","0.136","0.1064","0.136","","","","","","0.9993","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507854","22.319","0.004","22.319","0.004","8.5732","0.0013","90","","90","","90","","4270.6","1.3","150","2","150","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C12 H20 O -","- C12 H20 O -","- C192 H320 O16 -","16","1","","Gao, Peng; Cook, Silas P.","A reductive-Heck approach to the hydroazulene ring system: a formal synthesis of the englerins.","Organic letters","2012","14","13","3340","3343","10.1021/ol3013167","","","0.71073","MoKα","","0.0723","0.056","","","0.1222","0.132","","","","","","1.051","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507855","27.8708","0.0013","27.8708","0.0013","9.5026","0.0005","90","","90","","120","","6392.5","0.5","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C270 H432 O36 -","18","1","","Gao, Peng; Cook, Silas P.","A reductive-Heck approach to the hydroazulene ring system: a formal synthesis of the englerins.","Organic letters","2012","14","13","3340","3343","10.1021/ol3013167","","","0.71073","MoKα","","0.0683","0.0508","","","0.1361","0.1519","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507856","8.568","0.004","12.935","0.006","20.357","0.01","90","","100.261","0.005","90","","2220","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O2 S -","- C28 H23 N O2 S -","- C112 H92 N4 O8 S4 -","4","1","","Song, Xian-Rong; Xia, Xiao-Feng; Song, Qing-Bao; Yang, Fang; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed cascade reaction of hydroxy enynes for the synthesis of oxanorbornenes and naphthalene derivatives.","Organic letters","2012","14","13","3344","3347","10.1021/ol301322a","","","0.71073","MoKα","","0.071","0.0444","","","0.1085","0.124","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507857","13.03","0.013","12.205","0.012","15.586","0.015","90","","114.153","0.011","90","","2262","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 F N O3 S -","- C26 H24 F N O3 S -","- C104 H96 F4 N4 O12 S4 -","4","1","","Song, Xian-Rong; Xia, Xiao-Feng; Song, Qing-Bao; Yang, Fang; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed cascade reaction of hydroxy enynes for the synthesis of oxanorbornenes and naphthalene derivatives.","Organic letters","2012","14","13","3344","3347","10.1021/ol301322a","","","0.71073","MoKα","","0.1715","0.0981","","","0.1591","0.1857","","","","","","1.113","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507858","22.784","0.003","11.0292","0.0013","29.49","0.005","90","","104.934","0.001","90","","7160.2","1.8","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","12081s","","","- C35 H34 N2 O4 S2 -","- C35 H34 N2 O4 S2 -","- C280 H272 N16 O32 S16 -","8","1","","DeKorver, Kyle A.; Hsung, Richard P.; Song, Wang-Ze; Wang, Xiao-Na; Walton, Mary C.","An intramolecular [2 + 2] cycloaddition of ketenimines via palladium-catalyzed rearrangements of N-allyl-ynamides.","Organic letters","2012","14","12","3214","3217","10.1021/ol3013233","","","0.71073","MoKα","","0.0683","0.0485","","","0.1299","0.1397","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507859","8.6376","0.0016","10.4261","0.0019","11.464","0.002","83.918","0.002","83.558","0.002","84.077","0.002","1015.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","12085a","","","- C22 H29 N O3 S -","- C22 H29 N O3 S -","- C44 H58 N2 O6 S2 -","2","1","","DeKorver, Kyle A.; Hsung, Richard P.; Song, Wang-Ze; Wang, Xiao-Na; Walton, Mary C.","An intramolecular [2 + 2] cycloaddition of ketenimines via palladium-catalyzed rearrangements of N-allyl-ynamides.","Organic letters","2012","14","12","3214","3217","10.1021/ol3013233","","","0.71073","MoKα","","0.062","0.0498","","","0.1274","0.1362","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507860","9.3191","0.0019","10.877","0.002","13.873","0.003","82.233","0.002","70.521","0.002","66.598","0.002","1216.7","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","12086a","","","- C28 H33 N O3 S -","- C28 H33 N O3 S -","- C56 H66 N2 O6 S2 -","2","1","","DeKorver, Kyle A.; Hsung, Richard P.; Song, Wang-Ze; Wang, Xiao-Na; Walton, Mary C.","An intramolecular [2 + 2] cycloaddition of ketenimines via palladium-catalyzed rearrangements of N-allyl-ynamides.","Organic letters","2012","14","12","3214","3217","10.1021/ol3013233","","","0.71073","MoKα","","0.073","0.0475","","","0.1033","0.116","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507861","17.7388","0.0013","18.7308","0.0014","22.8807","0.0017","90","","105.898","0.002","90","","7311.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H29 B Cl6 N4 -","- C42 H29 B Cl6 N4 -","- C336 H232 B8 Cl48 N32 -","8","1","","Curiel, David; Más-Montoya, Miriam; Usea, Laura; Espinosa, Arturo; Orenes, Raúl A; Molina, Pedro","Indolocarbazole-based ligands for ladder-type four-coordinate boron complexes.","Organic letters","2012","14","13","3360","3363","10.1021/ol301339y","","","0.71073","MoKα","","0.0582","0.0529","","","0.1308","0.135","","","","","","1.04","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507862","11.29","0.002","24.184","0.005","8.2547","0.0016","90","","110.166","0.003","90","","2115.7","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C108 H96 N8 O8 -","4","1","","Zhu, Yan-ping; Liu, Mei-cai; Jia, Feng-cheng; Yuan, Jing-jing; Gao, Qing-he; Lian, Mi; Wu, An-xin","Metal-free sp3 C-H bond dual-(het)arylation: I2-promoted domino process to construct 2,2-bisindolyl-1-arylethanones.","Organic letters","2012","14","13","3392","3395","10.1021/ol301366p","","","0.71073","MoKα","","0.0767","0.0582","","","0.1231","0.131","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507863","10.7869","0.001","12.4394","0.0011","14.7593","0.0014","90","","103.442","0.002","90","","1926.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Cl N2 O -","- C24 H17 Cl N2 O -","- C96 H68 Cl4 N8 O4 -","4","1","","Zhu, Yan-ping; Liu, Mei-cai; Jia, Feng-cheng; Yuan, Jing-jing; Gao, Qing-he; Lian, Mi; Wu, An-xin","Metal-free sp3 C-H bond dual-(het)arylation: I2-promoted domino process to construct 2,2-bisindolyl-1-arylethanones.","Organic letters","2012","14","13","3392","3395","10.1021/ol301366p","","","0.71073","MoKα","","0.075","0.0591","","","0.1433","0.1514","","","","","","1.109","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507864","13.3026","0.0006","19.4275","0.0009","26.7908","0.001","97.176","0.003","102.427","0.003","92.395","0.003","6691.7","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C144 H184 N2 O8 -","- C144 H184 N2 O8 -","- C288 H368 N4 O16 -","2","1","","Movsisyan, Levon D.; Kondratuk, Dmitry V.; Franz, Michael; Thompson, Amber L.; Tykwinski, Rik R.; Anderson, Harry L.","Synthesis of polyyne rotaxanes.","Organic letters","2012","14","13","3424","3426","10.1021/ol301392t","","","0.6889","synchrotron","","0.1055","0.095","","0.2666","0.2515","0.2665","","","","","","0.9986","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507865","14.013","0.011","9.655","0.008","15.244","0.012","90","","110.757","0.01","90","","1929","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Br N O -","- C25 H20 Br N O -","- C100 H80 Br4 N4 O4 -","4","1","","Xiao, Qian; Ye, Shengqing; Wu, Jie","A silver(I)-catalyzed tandem reaction of 2-alkynylbenzaldoxime with alkylidenecyclopropane.","Organic letters","2012","14","13","3430","3433","10.1021/ol301393f","","","0.71073","MoKα","","0.1034","0.0637","","","0.1438","0.1583","","","","","","0.941","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507866","12.793","0.0002","9.40847","0.00017","14.6746","0.0003","90","","113.349","0.0007","90","","1621.63","0.05","140","","140","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 O9 -","- C17 H22 O9 -","- C68 H88 O36 -","4","1","","Morita, Masaki; Hirai, Go; Ohkubo, Megumi; Koshino, Hiroyuki; Hashizume, Daisuke; Maruoka, Keiji; Sodeoka, Mikiko","Kinetically controlled one-pot formation of DEFGH-rings of type B physalins through domino-type transformations.","Organic letters","2012","14","13","3434","3437","10.1021/ol301394b","","","1.54187","CuKα","","0.0429","0.0376","","","0.0848","0.0862","","","","","","1.112","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507867","10.1186","0.0003","12.1557","0.0003","16.747","0.0004","90","","90","","90","","2059.86","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C92 H120 N8 O24 -","4","1","","Li, Li-Mei; Yang, Tai; Liu, Yang; Liu, Jin; Li, Min-Hui; Wang, Yan-Tang; Yang, Shu-Xia; Zou, Qiang; Li, Guo-You","Calophyline A, a new rearranged monoterpenoid indole alkaloid from Winchia calophylla.","Organic letters","2012","14","13","3450","3453","10.1021/ol301400e","","","0.7107","MoKα","","0.0479","0.0421","","","0.1003","0.1059","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507868","12.0999","0.0006","20.0216","0.001","16.0201","0.0008","90","","97.157","0.001","90","","3850.8","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N3 O4 -","- C17 H25 N3 O4 -","- C136 H200 N24 O32 -","8","2","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.078","0.0447","","","0.1296","0.1504","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507869","19.5529","0.0009","10.7474","0.0004","19.5495","0.001","90","","117.843","0.006","90","","3632.6","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 N2 O2 -","- C18 H27 N2 O2 -","- C144 H216 N16 O16 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0848","0.0549","","","0.1556","0.167","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507870","18.1522","0.0012","11.5989","0.0008","18.603","0.0013","90","","90","","90","","3916.8","0.5","297","2","297","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H28 N2 O3 -","- C18 H28 N2 O3 -","- C144 H224 N16 O24 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0794","0.0518","","","0.1474","0.1714","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507871","19.4581","0.0012","10.7052","0.0004","19.6599","0.0015","90","","118.389","0.009","90","","3602.7","0.5","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 Br N2 O2 -","- C17 H25 Br N2 O2 -","- C136 H200 Br8 N16 O16 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0967","0.0419","","","0.0554","0.0581","","","","","","0.954","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507872","19.3915","0.001","10.4357","0.0004","19.722","0.0015","90","","118.288","0.007","90","","3514.4","0.4","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 F N2 O2 -","- C17 H24 F N2 O2 -","- C136 H192 F8 N16 O16 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0781","0.0513","","","0.1386","0.1457","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507873","32.3644","0.0012","12.234","0.0003","20.537","0.0006","90","","108.3","0.004","90","","7720.3","0.4","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N4 O6 -","- C17 H24 N4 O6 -","- C272 H384 N64 O96 -","16","2","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0688","0.0374","","","0.0698","0.0728","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507874","17.7595","0.001","18.1","0.0005","12.1792","0.0004","90","","94.101","0.003","90","","3904.9","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 N2 O4 -","- C19 H30 N2 O4 -","- C152 H240 N16 O32 -","8","2","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.063","0.0374","","","0.0848","0.0891","","","","","","0.909","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507875","19.2323","0.0008","11.2976","0.0003","19.2695","0.0009","90","","117.304","0.005","90","","3720.4","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H30 N2 O2 -","- C19 H30 N2 O2 -","- C152 H240 N16 O16 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0688","0.0478","","","0.1103","0.1217","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507876","19.3297","0.001","10.6105","0.0004","19.6276","0.0016","90","","118.316","0.007","90","","3543.9","0.4","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 F2 N2 O2 -","- C17 H24 F2 N2 O2 -","- C136 H192 F16 N16 O16 -","8","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.0558","0.038","","","0.0871","0.0898","","","","","","1.192","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507877","10.3265","0.0005","9.9356","0.0005","19.3787","0.0008","90","","118.669","0.004","90","","1744.51","0.16","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N2 O2 -","- C17 H26 N2 O2 -","- C68 H104 N8 O8 -","4","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","1.54178","CuKα","","0.1225","0.0999","","","0.3522","0.3757","","","","","","1.463","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507878","11.4887","0.0004","9.1041","0.0003","17.7238","0.0005","90","","102.535","0.003","90","","1809.62","0.1","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H32 N2 O2 -","- C17 H32 N2 O2 -","- C68 H128 N8 O8 -","4","1","","Snyder, Seth E.; Huang, Bin-Syuan; Chen, Yu-Tzu; Lin, Huei-Shian; Carey, James R.","A simple chiral recognition system to investigate substituent effects on π-π interactions.","Organic letters","2012","14","13","3442","3445","10.1021/ol3014057","","x-ray","0.71073","MoKα","","0.068","0.0399","","","0.0773","0.0808","","","","","","0.971","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507879","15.2379","0.0011","14.5654","0.0011","19.8667","0.0014","90","","90","","90","","4409.3","0.6","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Compound 3","8,16,29-Trithia-1-azahexacyclo[10.10.8.1^10,14^.0^2,7^.0 ^17,22^.0^23,28^]hentriacontadodecaene","","- C27 H21 N S3 -","- C27 H21 N S3 -","- C216 H168 N8 S24 -","8","2","","Sathyamoorthi, Shyam; Mague, Joel T.; Pascal, Jr, Robert A","An in-triphenylaminophane.","Organic letters","2012","14","13","3427","3429","10.1021/ol3014073","","","0.71073","MoKα","","0.0491","0.0406","","","0.0843","0.0898","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507880","10.575","0.004","15.748","0.007","13.296","0.006","90","","99.848","0.007","90","","2181.6","1.6","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C51 H36 F6 Mn N4 Sb -","- C51 H36 F6 Mn N4 Sb -","- C102 H72 F12 Mn2 N8 Sb2 -","2","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Manganese porphyrin catalyzed cycloisomerization of enynes.","Organic letters","2012","14","12","3008","3011","10.1021/ol301416f","","","0.71073","MoKα","","0.0743","0.0622","","","0.1567","0.1678","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507881","9.7449","0.0019","19.726","0.004","8.7201","0.0017","90","","95.121","0.003","90","","1669.6","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C76 H76 N4 O8 S4 -","4","1","","Ozawa, Takuya; Kurahashi, Takuya; Matsubara, Seijiro","Manganese porphyrin catalyzed cycloisomerization of enynes.","Organic letters","2012","14","12","3008","3011","10.1021/ol301416f","","","0.71073","MoKα","","0.0556","0.0476","","","0.1338","0.1411","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507882","7.704","0.002","10.658","0.004","12.436","0.004","82.415","0.01","81.991","0.011","78.422","0.009","984.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 Cl N2 O4 S -","- C23 H17 Cl N2 O4 S -","- C46 H34 Cl2 N4 O8 S2 -","2","1","","Li, Ming; Cao, Han; Wang, Yong; Lv, Xiu-Liang; Wen, Li-Rong","One-pot multicomponent cascade reaction of N,S-ketene acetal: solvent-free synthesis of imidazo[1,2-a]thiochromeno[3,2-e]pyridines.","Organic letters","2012","14","13","3470","3473","10.1021/ol301441v","","","0.71073","MoKα","","0.0484","0.0437","","","0.104","0.1077","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507883","10.776","0.002","10.992","0.002","11.889","0.002","72.81","0.03","70.62","0.03","67.65","0.03","1205.3","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N3 O3 S2 -","- C23 H17 N3 O3 S2 -","- C46 H34 N6 O6 S4 -","2","1","","Li, Ming; Cao, Han; Wang, Yong; Lv, Xiu-Liang; Wen, Li-Rong","One-pot multicomponent cascade reaction of N,S-ketene acetal: solvent-free synthesis of imidazo[1,2-a]thiochromeno[3,2-e]pyridines.","Organic letters","2012","14","13","3470","3473","10.1021/ol301441v","","","0.71073","MoKα","","0.087","0.068","","","0.1627","0.1753","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507884","27.994","0.003","27.994","0.003","10.3401","0.0008","90","","90","","120","","7017.5","1.2","93","","93","","","","","","","","","4","P 61","P 61","169","","","","- C46 H71 N3 O7 -","- C46 H71 N3 O7 -","- C276 H426 N18 O42 -","6","1","","Tanaka, Naonobu; Suto, Shohei; Ishiyama, Haruaki; Kubota, Takaaki; Yamano, Akihito; Shiro, Motoo; Fromont, Jane; Kobayashi, Jun'ichi","Halichonadins K and L, new dimeric sesquiterpenoids from a sponge Halichondria sp.","Organic letters","2012","14","13","3498","3501","10.1021/ol3014705","","","1.54187","CuKα","","","0.0549","","","","0.111","","","","","","0.895","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507885","5.8417","0.0009","20.184","0.003","15.487","0.002","90","","91.785","0.003","90","","1825.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Li, Liang; Zhao, Mi-Na; Ren, Zhi-Hui; Li, Jian-Li; Guan, Zheng-Hui","Cu(OAc)2/TFA-promoted formal [3 + 3] cycloaddition/oxidation of enamines and enones for synthesis of multisubstituted aromatic amines.","Organic letters","2012","14","13","3506","3509","10.1021/ol3014733","","","0.71073","MoKα","","0.0835","0.0506","","","0.1142","0.1296","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507886","9.0407","0.0013","18.322","0.003","12.1717","0.0017","90","","92.967","0.003","90","","2013.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N O3 -","- C22 H26 N O3 -","- C88 H104 N4 O12 -","4","1","","Li, Liang; Zhao, Mi-Na; Ren, Zhi-Hui; Li, Jian-Li; Guan, Zheng-Hui","Cu(OAc)2/TFA-promoted formal [3 + 3] cycloaddition/oxidation of enamines and enones for synthesis of multisubstituted aromatic amines.","Organic letters","2012","14","13","3506","3509","10.1021/ol3014733","","","0.71073","MoKα","","0.066","0.0456","","","0.1165","0.1294","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507887","12.321","0.004","14.075","0.005","23.143","0.008","90","","90","","90","","4013","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 N2 O4 -","- C21 H25 N2 O4 -","- C168 H200 N16 O32 -","8","1","","Li, Liang; Zhao, Mi-Na; Ren, Zhi-Hui; Li, Jian-Li; Guan, Zheng-Hui","Cu(OAc)2/TFA-promoted formal [3 + 3] cycloaddition/oxidation of enamines and enones for synthesis of multisubstituted aromatic amines.","Organic letters","2012","14","13","3506","3509","10.1021/ol3014733","","","0.71073","MoKα","","0.1055","0.0568","","","0.1313","0.1583","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507888","10.2265","0.0011","9.8801","0.001","11.1185","0.0012","90","","91.086","0.005","90","","1123.2","0.2","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O S4 -","- C22 H22 N2 O S4 -","- C44 H44 N4 O2 S8 -","2","1","","Munive, Laura; Rivas, Veronica M.; Ortiz, Aurelio; Olivo, Horacio F.","Oxazolidine-2-thiones and thiazolidine-2-thiones as nucleophiles in intermolecular Michael additions.","Organic letters","2012","14","13","3514","3517","10.1021/ol301489y","","","0.71073","MoKα","","0.0526","0.0386","","","0.0772","0.0826","","","","","","1.074","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507889","13.4194","0.0012","11.6002","0.001","26.589","0.002","90","","90","","90","","4139","0.6","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H22 Br N O3 S -","- C23 H22 Br N O3 S -","- C184 H176 Br8 N8 O24 S8 -","8","1","","Yin, Qin; You, Shu-Li","Intramolecular alkene electrophilic bromination initiated ipso-bromocyclization for the synthesis of functionalized azaspirocyclohexadienones.","Organic letters","2012","14","13","3526","3529","10.1021/ol301531z","","","0.71073","MoKα","","0.0427","0.0294","","","0.0728","0.0798","","","","","","0.97","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507890","27.605","0.0009","27.605","0.0009","32.428","0.0013","90","","90","","90","","24711.3","1.5","295","2","295","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- C65.5 H67.5 O12 -","- C64 H64 O12 -","- C1024 H1024 O192 -","16","0.5","","AlHujran, Tayel A.; Dawe, Louise N.; Georghiou, Paris E.","Synthesis of functionalized acenaphthenes and a new class of homooxacalixarenes.","Organic letters","2012","14","13","3530","3533","10.1021/ol301538s","","","0.71075","MoKα","","0.1274","0.0904","","","0.2149","0.2371","","","","","","1.16","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507891","9.1152","0.0002","9.1152","0.0002","36.0783","0.0011","90","","90","","90","","2997.63","0.13","103","2","103","2","","","","","","","","3","P 43","P 4cw","78","","","","- C21 H13 N -","- C21 H13 N -","- C168 H104 N8 -","8","2","","Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke","Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.","Organic letters","2012","14","13","3550","3553","10.1021/ol301583y","","","0.71073","MoKα","","0.0648","0.0542","","","0.1276","0.1367","","","","","","1.121","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1507892","13.0287","0.0008","11.1799","0.0007","12.7282","0.0007","90","","105.577","0.001","90","","1785.89","0.19","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke","Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.","Organic letters","2012","14","13","3550","3553","10.1021/ol301583y","","","0.71073","MoKα","","0.0621","0.0474","","","0.1249","0.1381","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507893","14.8671","0.0005","11.2207","0.0004","12.8259","0.0005","90","","111.942","0.002","90","","1984.62","0.13","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H19 N O -","- C28 H19 N O -","- C112 H76 N4 O4 -","4","1","","Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke","Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.","Organic letters","2012","14","13","3550","3553","10.1021/ol301583y","","","0.71073","MoKα","","0.0647","0.0538","","","0.127","0.1388","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507894","6.9473","0.0008","18.846","0.002","12.6117","0.0013","90","","96.521","0.003","90","","1640.6","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cu2 O10 -","- C32 H44 Cu2 O10 -","- C64 H88 Cu4 O20 -","2","0.5","","Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke","Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.","Organic letters","2012","14","13","3550","3553","10.1021/ol301583y","","","0.71073","MoKα","","0.1003","0.056","","","0.1324","0.1549","","","","","","0.977","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508277","18.199","0.005","26.703","0.008","7.364","0.002","90","","90","","90","","3578.7","1.7","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H15 I O -","- C23 H15 I O -","- C184 H120 I8 O8 -","8","1","","Chen, Zhiyuan; Zeng, Mengjing; Yuan, Jianjun; Yang, Qin; Peng, Yiyuan","Novel silver tetrafluoroborate catalyzed electrophilic cascade cyclization reaction: a facile approach to the synthesis of halo-substituted benzo[a]fluorenols.","Organic letters","2012","14","14","3588","3591","10.1021/ol301153t","","","0.71073","MoKα","","0.0981","0.0805","","","0.2521","0.2632","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508278","9.566","0.008","9.734","0.009","11.985","0.008","105.07","0.05","98.08","0.05","102.89","0.05","1026.8","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 F I O2 -","- C24 H18 F I O2 -","- C48 H36 F2 I2 O4 -","2","1","","Chen, Zhiyuan; Zeng, Mengjing; Yuan, Jianjun; Yang, Qin; Peng, Yiyuan","Novel silver tetrafluoroborate catalyzed electrophilic cascade cyclization reaction: a facile approach to the synthesis of halo-substituted benzo[a]fluorenols.","Organic letters","2012","14","14","3588","3591","10.1021/ol301153t","","","0.71073","MoKα","","0.0983","0.0809","","","0.2173","0.2344","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508279","7.6654","0.0007","10.4255","0.001","13.244","0.0018","105.244","0.001","98.44","0.001","110.152","0.001","925.15","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O5 S -","- C20 H19 N O5 S -","- C40 H38 N2 O10 S2 -","2","1","","Kulshrestha, Aman; Salehi Marzijarani, Nastaran; Dilip Ashtekar, Kumar; Staples, Richard; Borhan, Babak","3,4-Dihydroxypyrrolidines via modified tandem aza-Payne/hydroamination pathway.","Organic letters","2012","14","14","3592","3595","10.1021/ol301204w","","x-ray","0.71073","MoKα","","0.0757","0.0588","","","0.1284","0.1401","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508280","7.4553","0.0007","10.7405","0.001","11.3712","0.0011","65.85","0.001","86.644","0.001","88.992","0.001","829.4","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N O5 S -","- C16 H19 N O5 S -","- C32 H38 N2 O10 S2 -","2","1","","Kulshrestha, Aman; Salehi Marzijarani, Nastaran; Dilip Ashtekar, Kumar; Staples, Richard; Borhan, Babak","3,4-Dihydroxypyrrolidines via modified tandem aza-Payne/hydroamination pathway.","Organic letters","2012","14","14","3592","3595","10.1021/ol301204w","","x-ray","0.71073","MoKα","","0.0787","0.0588","","","0.1564","0.1708","","","","","","1.051","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508281","9.2607","0.0009","10.5798","0.0011","20.273","0.002","90","","90","","90","","1986.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O2 S -","- C19 H28 N2 O2 S -","- C76 H112 N8 O8 S4 -","4","1","","Lin, Hua; Tan, Yu; Sun, Xing-Wen; Lin, Guo-Qiang","Highly Efficient Asymmetric Synthesis of Enantiopure Dihydro-1,2-oxazines: Dual-Organocatalyst-Promoted Asymmetric Cascade Reaction.","Organic letters","2012","14","15","3818","3821","10.1021/ol301218x","","","0.71073","MoKα","","0.0397","0.0332","","","0.0833","0.0889","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508282","13.792","0.006","11.557","0.005","16.464","0.007","90","","105.732","0.005","90","","2526","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O3 S -","- C31 H27 N O3 S -","- C124 H108 N4 O12 S4 -","4","1","","Wang, Linfei; Fan, Renhua","Divergent construction of nitrogen-containing polycyclic compounds with a dearomatization strategy.","Organic letters","2012","14","14","3596","3599","10.1021/ol301282p","","","0.71073","MoKα","","0.0795","0.051","","","0.137","0.1548","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508283","12.735","0.005","14.681","0.005","15.443","0.006","90","","103.359","0.005","90","","2809.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N O5 S -","- C32 H32 N O5 S -","- C128 H128 N4 O20 S4 -","4","1","","Wang, Linfei; Fan, Renhua","Divergent construction of nitrogen-containing polycyclic compounds with a dearomatization strategy.","Organic letters","2012","14","14","3596","3599","10.1021/ol301282p","","","0.71073","MoKα","","0.1024","0.0496","","","0.1106","0.1267","","","","","","0.833","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508284","7.14747","0.0001","15.2642","0.0002","19.1468","0.0003","90","","90","","90","","2088.92","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 B O5 -","- C25 H21 B O5 -","- C100 H84 B4 O20 -","4","1","","Husain, Syed Masood; Schätzle, Michael A; Röhr, Caroline; Lüdeke, Steffen; Müller, Michael","Biomimetic asymmetric synthesis of (R)-GTRI-02 and (3S,4R)-3,4-dihydroxy-3,4-dihydronaphthalen-1(2H)-ones.","Organic letters","2012","14","14","3600","3603","10.1021/ol301305p","","","0.7107","MoKα","","0.0682","0.0428","","","0.1032","0.1101","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508285","7.8075","0.0007","11.0061","0.001","16.7006","0.0015","90","","101.069","0.0014","90","","1408.4","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Cyclopentanone","Cyclopentanone","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Truong, Phong; Shanahan, Charles S.; Doyle, Michael P.","Divergent stereocontrol of acid catalyzed intramolecular aldol reactions of 2,3,7-triketoesters: synthesis of highly functionalized cyclopentanones.","Organic letters","2012","14","14","3608","3611","10.1021/ol301317a","","","0.71073","MoKα","","0.0387","0.0363","","","0.073","0.0742","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508286","6.5631","0.0004","9.7944","0.0006","11.1236","0.0006","70.3642","0.0007","83.1234","0.0008","71.5902","0.0007","638.92","0.07","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","organic compound","","- C14 H16 O5 -","- C14 H16 O5 -","- C28 H32 O10 -","2","1","","Truong, Phong; Shanahan, Charles S.; Doyle, Michael P.","Divergent stereocontrol of acid catalyzed intramolecular aldol reactions of 2,3,7-triketoesters: synthesis of highly functionalized cyclopentanones.","Organic letters","2012","14","14","3608","3611","10.1021/ol301317a","","","0.71073","MoKα","","0.0389","0.0362","","","0.0707","0.0716","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508287","8.472","0.011","14.485","0.018","15.543","0.02","68.44","0.011","79.441","0.013","74.597","0.012","1702","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H47 N O7 -","- C37 H47 N O7 -","- C74 H94 N2 O14 -","2","1","","Ma, Ai-Jun; Tu, Yong-Qiang; Peng, Jin-Bao; Dou, Qing-Yun; Hou, Si-Hua; Zhang, Fu-Min; Wang, Shao-Hua","Total synthesis of (-)-FR901483.","Organic letters","2012","14","14","3604","3607","10.1021/ol301331t","","","0.71073","MoKα","","0.1418","0.0666","","","0.17","0.2246","","","","","","0.987","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508288","10.608","0.006","11.553","0.006","12.532","0.007","90","","99.67","0.005","90","","1514","1.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H37 N3 O4 -","- C33 H37 N3 O4 -","- C66 H74 N6 O8 -","2","1","","Ma, Ai-Jun; Tu, Yong-Qiang; Peng, Jin-Bao; Dou, Qing-Yun; Hou, Si-Hua; Zhang, Fu-Min; Wang, Shao-Hua","Total synthesis of (-)-FR901483.","Organic letters","2012","14","14","3604","3607","10.1021/ol301331t","","","0.71073","MoKα","","0.0919","0.0521","","","0.1121","0.1348","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508289","8.798","0.002","11.027","0.003","30.298","0.007","90","","90","","90","","2939.4","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N3 O4 -","- C33 H37 N3 O4 -","- C132 H148 N12 O16 -","4","1","","Ma, Ai-Jun; Tu, Yong-Qiang; Peng, Jin-Bao; Dou, Qing-Yun; Hou, Si-Hua; Zhang, Fu-Min; Wang, Shao-Hua","Total synthesis of (-)-FR901483.","Organic letters","2012","14","14","3604","3607","10.1021/ol301331t","","","0.71073","MoKα","","0.1322","0.0581","","","0.1113","0.1383","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508290","15.4952","0.0006","19.4413","0.0008","13.8414","0.0006","90","","107.301","0.001","90","","3981","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O4 S -","- C22 H21 N O4 S -","- C176 H168 N8 O32 S8 -","8","1","","Chen, Bo; Fan, Wu; Chai, Guobi; Ma, Shengming","Electronic effect directed Au(I)-catalyzed cyclic C2-H bond functionalization of 3-allenylindoles.","Organic letters","2012","14","14","3616","3619","10.1021/ol301408g","","","0.71073","MoKα","","0.0404","0.0362","","","0.095","0.0988","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508291","13.7042","0.0006","9.7308","0.0005","14.7628","0.0008","90","","96.649","0.002","90","","1955.42","0.17","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Fu, Tsung-Hao; McElroy, William T.; Shamszad, Mariam; Martin, Stephen F.","Formal syntheses of naturally occurring welwitindolinones.","Organic letters","2012","14","15","3834","3837","10.1021/ol301424h","","","0.71073","MoKα","","0.0903","0.046","","","0.0994","0.114","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508292","41.6679","0.0013","6.9812","0.0002","12.1463","0.0003","90","","92.385","0.002","90","","3530.2","0.17","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 N4 O2 -","- C44 H48 N4 O2 -","- C176 H192 N16 O8 -","4","0.5","","Bhargava Rao, Billa; Wei, Jun-Ru; Lin, Chih-Hsiu","New synthetic routes to Z-shape functionalized perylenes.","Organic letters","2012","14","14","3640","3643","10.1021/ol3014667","","","0.71073","MoKα","","0.0548","0.0426","","","0.1089","0.1248","","","","","","1.111","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508293","35.4603","0.0002","35.4603","0.0002","25.4746","0.0002","90","","90","","120","","27741","0.3","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C71.33 H53 F6 O0.33 P3 Ru -","- C71.3333 H53 F6 O0.333333 P3 Ru -","- C1284 H954 F108 O6 P54 Ru18 -","18","1","","Ma, Hao-Wei; Lin, Ying-Chih; Huang, Shou-Ling","Sequential allenylidene/vinylidene cyclization for stereoselective construction of bicyclic carbocycles from propargyl alcohol.","Organic letters","2012","14","15","3846","3849","10.1021/ol301493n","","","0.71073","MoKα","","0.0622","0.0528","","","0.1625","0.1748","","","","","","1.176","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508294","10.2613","0.0006","14.1399","0.001","16.2722","0.0009","90","","90","","90","","2361","0.3","147","2","147","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 O -","- C32 H32 O -","- C128 H128 O4 -","4","1","","Liu, Hongqiang; El-Salfiti, Mohamed; Chai, David I.; Auffret, Jérémy; Lautens, Mark","Modular and stereoselective synthesis of tetrasubstituted helical alkenes via a palladium-catalyzed domino reaction.","Organic letters","2012","14","14","3648","3651","10.1021/ol301495q","","","1.54178","CuKα","","0.0403","0.0376","","","0.0921","0.094","","","","","","1.095","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508295","9.6278","0.0003","9.946","0.0003","11.6593","0.0004","98.774","0.002","99.335","0.002","110.505","0.001","1005.06","0.06","147","2","147","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O2 -","- C26 H27 N O2 -","- C52 H54 N2 O4 -","2","1","","Liu, Hongqiang; El-Salfiti, Mohamed; Chai, David I.; Auffret, Jérémy; Lautens, Mark","Modular and stereoselective synthesis of tetrasubstituted helical alkenes via a palladium-catalyzed domino reaction.","Organic letters","2012","14","14","3648","3651","10.1021/ol301495q","","","1.54178","CuKα","","0.0508","0.0493","","","0.1305","0.132","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508296","7.0493","0.0017","7.9236","0.0015","16.025","0.002","87.014","0.013","84.846","0.015","63.64","0.02","798.7","0.3","153.05","0.1","153.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 F2 S2 Si2 -","- C34 H36 F2 S2 Si2 -","- C34 H36 F2 S2 Si2 -","1","0.5","","Lehnherr, Dan; Waterloo, Andreas R.; Goetz, Katelyn P.; Payne, Marcia M.; Hampel, Frank; Anthony, John E.; Jurchescu, Oana D.; Tykwinski, Rik R.","Isomerically pure syn-anthradithiophenes: synthesis, properties, and FET performance.","Organic letters","2012","14","14","3660","3663","10.1021/ol301503k","","","1.5418","CuKα","","0.0476","0.0382","","","0.097","0.1042","","","","","","1.052","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508297","7.5855","0.0007","8.1701","0.0008","16.2295","0.0012","100.99","0.007","92.32","0.007","98.594","0.008","973.81","0.15","172.9","","172.9","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 F2 S2 Si2 -","- C40 H48 F2 S2 Si2 -","- C40 H48 F2 S2 Si2 -","1","0.5","","Lehnherr, Dan; Waterloo, Andreas R.; Goetz, Katelyn P.; Payne, Marcia M.; Hampel, Frank; Anthony, John E.; Jurchescu, Oana D.; Tykwinski, Rik R.","Isomerically pure syn-anthradithiophenes: synthesis, properties, and FET performance.","Organic letters","2012","14","14","3660","3663","10.1021/ol301503k","","","1.5418","CuKα","","0.0823","0.0712","","","0.1944","0.2083","","","","","","1.07","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508298","9.1549","0.0003","10.2793","0.0003","14.5581","0.0004","79.6984","0.0003","77.6664","0.0003","69.1243","0.0003","1242.59","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Br2 O7 S2 -","- C24 H24 Br2 O7 S2 -","- C48 H48 Br4 O14 S4 -","2","1","","Lehnherr, Dan; Waterloo, Andreas R.; Goetz, Katelyn P.; Payne, Marcia M.; Hampel, Frank; Anthony, John E.; Jurchescu, Oana D.; Tykwinski, Rik R.","Isomerically pure syn-anthradithiophenes: synthesis, properties, and FET performance.","Organic letters","2012","14","14","3660","3663","10.1021/ol301503k","","","0.71073","MoKα","","0.0264","0.0236","","","0.061","0.0623","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508299","8.6724","0.0012","12.418","0.002","11.9146","0.0016","90","","103.379","0.005","90","","1248.3","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl O -","- C15 H15 Cl O -","- C60 H60 Cl4 O4 -","4","1","","Ayala, Caitlan E.; Villalpando, Andres; Nguyen, Alex L.; McCandless, Gregory T.; Kartika, Rendy","Chlorination of aliphatic primary alcohols via triphosgene-triethylamine activation.","Organic letters","2012","14","14","3676","3679","10.1021/ol301520d","","","1.54184","CuKα","","0.0514","0.0389","","","0.0989","0.1051","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508300","5.7947","0.0013","8.725","0.003","15.227","0.003","102.201","0.015","96.988","0.014","105.02","0.02","714","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 Cl O -","- C17 H19 Cl O -","- C34 H38 Cl2 O2 -","2","1","","Ayala, Caitlan E.; Villalpando, Andres; Nguyen, Alex L.; McCandless, Gregory T.; Kartika, Rendy","Chlorination of aliphatic primary alcohols via triphosgene-triethylamine activation.","Organic letters","2012","14","14","3676","3679","10.1021/ol301520d","","","0.71073","MoKα","","0.0445","0.0347","","","0.0973","0.104","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508301","9.7758","0.0003","22.9743","0.0008","24.7453","0.0009","90","","90","","90","","5557.6","0.3","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C32 H28 N2 O4 S2 -","- C32 H28 N2 O4 S2 -","- C256 H224 N16 O32 S16 -","8","1","","Mo, Juntae; Eom, Dahan; Lee, Euichul; Lee, Phil Ho","Hybrid system of metal/Brønsted acid relay catalysis for the intramolecular double hydroarylation and cationic cyclization of diyne diethers and diamines.","Organic letters","2012","14","14","3684","3687","10.1021/ol301522y","","","0.71073","MoKα","","0.1029","0.0586","","","0.1398","0.1621","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508302","12.045","0.005","12.17","0.005","18.967","0.008","74.718","0.004","73.818","0.004","89.647","0.004","2569","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 I2 O Si -","- C22 H40 I2 O Si -","- C88 H160 I8 O4 Si4 -","4","2","","Zhang, Guo-Biao; Wang, Fang-Xin; Du, Ji-Yuan; Qu, Hu; Ma, Xiao-Yan; Wei, Meng-Xue; Wang, Cheng-Tao; Li, Qiong; Fan, Chun-An","Toward the total synthesis of palhinine A: expedient assembly of multifunctionalized isotwistane ring system with contiguous quaternary stereocenters.","Organic letters","2012","14","14","3696","3699","10.1021/ol301534r","","","0.71073","MoKα","","0.1786","0.0728","","","0.1534","0.2092","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508303","11.025","0.011","11.69","0.011","13.63","0.013","69.352","0.011","74.86","0.011","67.864","0.011","1506","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H52 O4 Si2 -","- C27 H52 O4 Si2 -","- C54 H104 O8 Si4 -","2","1","","Zhang, Guo-Biao; Wang, Fang-Xin; Du, Ji-Yuan; Qu, Hu; Ma, Xiao-Yan; Wei, Meng-Xue; Wang, Cheng-Tao; Li, Qiong; Fan, Chun-An","Toward the total synthesis of palhinine A: expedient assembly of multifunctionalized isotwistane ring system with contiguous quaternary stereocenters.","Organic letters","2012","14","14","3696","3699","10.1021/ol301534r","","","0.71073","MoKα","","0.2678","0.1327","","","0.0978","0.1144","","","","","","1.196","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508304","10.2542","0.0002","14.2847","0.0003","13.2826","0.0004","90","","96.513","0.002","90","","1933.05","0.08","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br N2 O3 -","- C22 H21 Br N2 O3 -","- C88 H84 Br4 N8 O12 -","4","1","","Han, Yan-Yan; Han, Wen-Yong; Hou, Xue; Zhang, Xiao-Mei; Yuan, Wei-Cheng","FeCl(3)-Catalyzed Stereoselective Construction of Spirooxindole Tetrahydroquinolines via Tandem 1,5-Hydride Transfer/Ring Closure.","Organic letters","2012","14","16","4054","4057","10.1021/ol301559k","","","0.71073","MoKα","","0.0496","0.0342","","","0.0808","0.087","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508305","8.2059","0.0013","8.9224","0.0012","10.4898","0.0016","86.679","0.012","81.307","0.013","75.039","0.012","733.32","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O4 S -","- C13 H18 N2 O4 S -","- C26 H36 N4 O8 S2 -","2","1","","Rit, Raja K.; Yadav, M. Ramu; Sahoo, Akhila K.","Pd(II)-catalyzed primary-C(sp3)-H acyloxylation at room temperature.","Organic letters","2012","14","14","3724","3727","10.1021/ol301579q","","","0.71073","MoKα","","0.0478","0.0386","","","0.104","0.1076","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508306","7.9705","0.0016","15.394","0.003","12.527","0.003","90","","94.37","0.03","90","","1532.6","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 B Cl F4 N S2 -","- C12 H15 B Cl F4 N S2 -","- C48 H60 B4 Cl4 F16 N4 S8 -","4","1","","Ziyaei Halimehjani, Azim; Hajiloo Shayegan, Mojtaba; Hashemi, Mohammad Mahmoodi; Notash, Behrooz","Investigation of the reaction of dithiocarbamic Acid salts with aromatic aldehydes.","Organic letters","2012","14","15","3838","3841","10.1021/ol301598u","","","0.71073","MoKα","","0.0843","0.0542","","","0.0856","0.0931","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508307","38.5256","0.0008","5.8558","0.0001","17.9538","0.0004","90","","113.551","0.003","90","","3712.97","0.15","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C21 H18 O4 S2 -","- C21 H18 O4 S2 -","- C168 H144 O32 S16 -","8","2","","Orue, Ane; Reyes, Efraím; Vicario, Jose L.; Carrillo, Luisa; Uria, Uxue","Enantio- and diastereoselective synthesis of substituted tetrahydro-1H-isochromanes through a dynamic kinetic resolution proceeding under dienamine catalysis.","Organic letters","2012","14","14","3740","3743","10.1021/ol301602h","","x-ray","1.54184","CuKα","","0.0413","0.0393","","","0.0983","0.1003","","","","","","1.034","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508308","6.2191","0.0005","14.7673","0.0011","19.2467","0.0017","70.958","0.003","78.593","0.003","85.754","0.002","1637.8","0.2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.4 H44.8 Cl0.8 O2 -","- C40.4 H44.8 Cl0.8 O2 -","- C80.8 H89.6 Cl1.6 O4 -","2","1","","Matsumura, Daiki; Kitazawa, Kentaroh; Terai, Seiya; Kochi, Takuya; Ie, Yutaka; Nitani, Masashi; Aso, Yoshio; Kakiuchi, Fumitoshi","Short synthesis of alkyl-substituted acenes using carbonyl-directed C-h and C-o functionalization.","Organic letters","2012","14","15","3882","3885","10.1021/ol301608m","","","0.71075","MoKα","","0.1189","0.0627","","","0.1679","0.2316","","","","","","1.112","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508309","4.6748","0.0005","14.5081","0.0017","24.325","0.003","90","","90","","90","","1649.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br N2 O -","- C18 H13 Br N2 O -","- C72 H52 Br4 N8 O4 -","4","1","","Gao, Kai; Wu, Bo; Yu, Chang-Bin; Chen, Qing-An; Ye, Zhi-Shi; Zhou, Yong-Gui","Iridium catalyzed asymmetric hydrogenation of cyclic imines of benzodiazepinones and benzodiazepines.","Organic letters","2012","14","15","3890","3893","10.1021/ol301620z","","","0.71073","MoKα","","0.0784","0.0608","","","0.1545","0.1634","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508310","5.885","0.005","7.453","0.007","17.08","0.017","90","","90.927","0.012","90","","749","1.2","93","","93","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C40 H28 S4 -","2","1","","Mamada, Masashi; Minamiki, Tsukuru; Katagiri, Hiroshi; Tokito, Shizuo","Synthesis, Physical Properties, and Field-Effect Mobility of Isomerically Pure syn-/anti-Anthradithiophene Derivatives.","Organic letters","2012","14","16","4062","4065","10.1021/ol301626u","","","0.71075","MoKα","","0.0713","0.0528","","","0.1283","0.1401","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508311","14.175","0.007","7.407","0.004","7.026","0.003","90","","99.317","0.007","90","","728","0.6","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C40 H28 S4 -","2","0.5","","Mamada, Masashi; Minamiki, Tsukuru; Katagiri, Hiroshi; Tokito, Shizuo","Synthesis, Physical Properties, and Field-Effect Mobility of Isomerically Pure syn-/anti-Anthradithiophene Derivatives.","Organic letters","2012","14","16","4062","4065","10.1021/ol301626u","","","0.71075","MoKα","","0.0373","0.0345","","","0.0938","0.0959","","","","","","1.107","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508312","28.605","0.0019","16.6826","0.0011","15.5685","0.001","90","","116.439","0.001","90","","6652.3","0.8","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34.5 H29 Cl3 N1.5 O6 -","- C34.5 H29 Cl3 N1.5 O6 -","- C276 H232 Cl24 N12 O48 -","8","2","","Zhong, Fangrui; Chen, Guo-Ying; Han, Xiaoyu; Yao, Weijun; Lu, Yixin","Asymmetric construction of functionalized bicyclic imides via [3 + 2] annulation of MBH carbonates catalyzed by dipeptide-based phosphines.","Organic letters","2012","14","14","3764","3767","10.1021/ol301647g","","","0.71073","MoKα","","0.0865","0.073","","","0.1901","0.2006","","","","","","1.059","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508313","7.6877","0.0003","18.9804","0.0006","12.6305","0.0004","90","","91.18","0.02","90","","1842.6","0.11","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-(4-Nitrophenyl)-4-phenyl-1H-pyrrol-3-yl)pyridinium bromide","","- C21 H16 Br N3 O2 -","- C21 H16 Br N3 O2 -","- C84 H64 Br4 N12 O8 -","4","1","","Khlebnikov, Alexander F.; Golovkina, Maria V.; Novikov, Mikhail S.; Yufit, Dmitry S.","A novel strategy for the synthesis of 3-(N-heteryl)pyrrole derivatives.","Organic letters","2012","14","14","3768","3771","10.1021/ol3016594","","x-ray","0.71073","MoKα","K-L~3~","0.0393","0.0286","","","0.0709","0.0758","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508314","25.2498","0.0008","8.5555","0.0003","19.2815","0.0006","90","","111.345","0.01","90","","3879.6","0.3","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2,4-Diphenyl-1H-pyrrol-3-yl)-2-methylpyridinium bromide","","- C22.5 H18 Br N2 O -","- C22.5 H18 Br N2 O -","- C180 H144 Br8 N16 O8 -","8","1","","Khlebnikov, Alexander F.; Golovkina, Maria V.; Novikov, Mikhail S.; Yufit, Dmitry S.","A novel strategy for the synthesis of 3-(N-heteryl)pyrrole derivatives.","Organic letters","2012","14","14","3768","3771","10.1021/ol3016594","","x-ray","0.71073","MoKα","K-L~3~","0.1018","0.0835","","","0.1538","0.1619","","","","","","1.066","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508315","9.5612","0.0004","10.789","0.0005","12.4446","0.0005","85.831","0.002","70.146","0.002","67.185","0.002","1110.38","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-(2,4,5-Triphenyl-1H-pyrrol-3-yl)pyridinium bromide","","- C27 H23 Br N2 O -","- C27 H23 Br N2 O -","- C54 H46 Br2 N4 O2 -","2","1","","Khlebnikov, Alexander F.; Golovkina, Maria V.; Novikov, Mikhail S.; Yufit, Dmitry S.","A novel strategy for the synthesis of 3-(N-heteryl)pyrrole derivatives.","Organic letters","2012","14","14","3768","3771","10.1021/ol3016594","","x-ray","1.54178","CuKα","K-L~3~","0.0592","0.046","","","0.1165","0.1248","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508316","8.5504","0.0007","10.5045","0.0008","11.721","0.0011","66.32","0.008","75.505","0.008","84.878","0.007","933.35","0.15","120","","120","","","","","","","","","4","P -1","-P 1","2","","1-(2-(4-methoxy)-4-phenyl-1H-pyrrol-3-yl)piridinium hydrocarbonate","","- C23 H20 N2 O4 -","- C23 H20 N2 O4 -","- C46 H40 N4 O8 -","2","1","","Khlebnikov, Alexander F.; Golovkina, Maria V.; Novikov, Mikhail S.; Yufit, Dmitry S.","A novel strategy for the synthesis of 3-(N-heteryl)pyrrole derivatives.","Organic letters","2012","14","14","3768","3771","10.1021/ol3016594","","","0.7107","MoKα","Mo","0.0922","0.0571","","","0.0972","0.1156","","","","","","1.004","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508317","15.0916","0.0008","15.9436","0.0005","15.3361","0.0008","90","","113.493","0.002","90","","3384.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 N O3 S Si -","- C38 H37 N O3 S Si -","- C152 H148 N4 O12 S4 Si4 -","4","1","","Kang, Dongjin; Park, Sangjune; Ryu, Taekyu; Lee, Phil Ho","Gold-catalyzed hydrosilyloxylation driving tandem aldol and mannich reactions.","Organic letters","2012","14","15","3912","3915","10.1021/ol301660f","","","0.71073","MoKα","","0.1303","0.0577","","","0.1108","0.1341","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508318","25.324","0.011","25.324","","5.877","0.003","90","","90","","120","","3264","2","273","2","273","2","","","","","","","","3","P 62","P 62","171","","","","- C31 H24 O -","- C31 H24 O -","- C186 H144 O6 -","6","1","","Rivera-Fuentes, Pablo; Rekowski, Margarete von Wantoch; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Cascade Carbopalladation Reaction between Alkynes and gem-Dibromoolefins: Facile Access to Monoannelated Pentalenes.","Organic letters","2012","14","16","4066","4069","10.1021/ol301670d","","","1.54178","CuKα","","0.0991","0.0599","","","0.1224","0.1367","","","","","","1.092","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1508319","10.6839","0.0003","23.5559","0.0007","10.7016","0.0003","90","","115.201","0.001","90","","2436.91","0.12","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 -","- C36 H26 -","- C144 H104 -","4","1","","Rivera-Fuentes, Pablo; Rekowski, Margarete von Wantoch; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François","Cascade Carbopalladation Reaction between Alkynes and gem-Dibromoolefins: Facile Access to Monoannelated Pentalenes.","Organic letters","2012","14","16","4066","4069","10.1021/ol301670d","","","0.71073","MoKα","","0.0529","0.0394","","","0.101","0.1059","","","","","","1.364","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508320","9.8919","0.0013","19.91","0.003","21.435","0.003","90","","99.567","0.007","90","","4162.9","1","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H16 Cl2 F6 Li O2 P -","- C73 H16 Cl2 F6 Li O2 P -","- C292 H64 Cl8 F24 Li4 O8 P4 -","4","1","","Matsuo, Yutaka; Okada, Hiroshi; Maruyama, Masashi; Sato, Hiroyasu; Tobita, Hiromi; Ono, Yoshihiro; Omote, Kenji; Kawachi, Kazuhiko; Kasama, Yasuhiko","Covalently chemical modification of lithium ion-encapsulated fullerene: synthesis and characterization of [Li+@PCBM]PF6(-).","Organic letters","2012","14","14","3784","3787","10.1021/ol301671n","","","1.54187","CuKα","","","0.2449","","","","0.5918","","","","","","2.1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508321","9.639","0.004","10.137","0.004","31.136","0.013","90","","94.509","0.009","90","","3033","2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 O7 -","- C30 H52 O7 -","- C120 H208 O28 -","4","1","","Yang, Peng; Li, Pei-Fang; Qu, Jin; Tang, Liang-Fu","Two concise enantioselective total syntheses of (-)-glabrescol implicate alternative biosynthetic pathways starting from squalene.","Organic letters","2012","14","15","3932","3935","10.1021/ol3016836","","","0.71073","MoKα","","0.0769","0.0483","","","0.0907","0.1019","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508322","17.9165","0.0005","16.5501","0.0004","22.8972","0.0006","90","","101.726","0.001","90","","6647.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H67 Cl3 N6 O16 -","- C69 H67 Cl3 N6 O16 -","- C276 H268 Cl12 N24 O64 -","4","1","","Thiampanya, Preecha; Muangsin, Nongnuj; Pulpoka, Buncha","Azocalix[4]arene Strapped Calix[4]pyrrole: A Confirmable Fluoride Sensor.","Organic letters","2012","14","16","4050","4053","10.1021/ol301684r","","","0.71073","MoKα","","0.1697","0.0865","","","0.2447","0.3053","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508323","10.9299","0.0018","11.1414","0.0018","18.327","0.003","90","","102.618","0.003","90","","2177.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C112 H108 N4 O8 -","4","1","","Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi","NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes.","Organic letters","2012","14","15","3936","3939","10.1021/ol301693s","","","0.71073","MoKα","","0.095","0.0654","","","0.1741","0.1982","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508324","7.3571","0.0005","8.4928","0.0005","40.015","0.003","90","","94.176","0.002","90","","2493.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 N O4 -","- C30 H31 N O4 -","- C120 H124 N4 O16 -","4","1","","Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi","NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes.","Organic letters","2012","14","15","3936","3939","10.1021/ol301693s","","","0.71073","MoKα","","0.0798","0.0508","","","0.1191","0.1331","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508325","9.638","0.0004","13.6417","0.0006","16.0487","0.0008","90","","105.381","0.002","90","","2034.49","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N O2 S2 -","- C24 H23 N O2 S2 -","- C96 H92 N4 O8 S8 -","4","1","","Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi","NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes.","Organic letters","2012","14","15","3936","3939","10.1021/ol301693s","","","0.71073","MoKα","","0.0602","0.0433","","","0.1091","0.1217","","","","","","1.031","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508326","8.0912","0.0006","21.4653","0.0015","12.8879","0.0009","90","","97.626","0.004","90","","2218.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 N O2 -","- C29 H29 N O2 -","- C116 H116 N4 O8 -","4","1","","Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi","NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes.","Organic letters","2012","14","15","3936","3939","10.1021/ol301693s","","","0.71073","MoKα","","0.0601","0.0422","","","0.0998","0.1117","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508327","19.434","0.0008","10.8561","0.0004","11.237","0.0004","90","","105.689","0.001","90","","2282.43","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C112 H112 O16 -","4","1","","Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi","NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes.","Organic letters","2012","14","15","3936","3939","10.1021/ol301693s","","","0.71073","MoKα","","0.0584","0.0406","","","0.0943","0.1056","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508328","10.27","0.002","10.974","0.002","11.981","0.003","89.852","0.003","64.82","0.003","66.824","0.003","1101.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C56 H54 N2 O4 -","2","1","","Chang, Meng-Yang; Wu, Ming-Hao; Tai, Hang-Yi","NH(4)OAc Promoted Cyclocondensation of 3-(o-Allylphenyl)pentane-1,5-diones: Synthesis of Tetracyclic Benzofused 1-Azahomoisotwistanes.","Organic letters","2012","14","15","3936","3939","10.1021/ol301693s","","","0.71073","MoKα","","0.2344","0.1041","","","0.1427","0.1765","","","","","","0.967","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508329","15.927","0.004","10.8801","0.0017","17.331","0.004","90","","90.31","0.02","90","","3003.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N2 O3 P -","- C13 H17 N2 O3 P -","- C104 H136 N16 O24 P8 -","8","2","","Kumar, Rahul; Verma, Deepti; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","One-pot, two-step conversion of aldehydes to phosphonyl- and sulfonylpyrazoles using Bestmann-Ohira reagent","Organic Letters","2012","14","16","4070","4073","10.1021/ol301695e","","","0.71073","MoKα","","0.1633","0.0433","","","0.0715","0.0867","","","","","","0.686","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508330","15.563","0.007","5.224","0.003","32.605","0.015","90","","90","","90","","2651","2","203","2","203","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C112 H144 O32 -","8","2","","Han, Xun; Floreancig, Paul E.","Synthesis of bridged inside-outside bicyclic ethers through oxidative transannular cyclization reactions.","Organic letters","2012","14","14","3808","3811","10.1021/ol301720u","","","0.71073","MoKα","","0.0589","0.0426","","","0.1184","0.1303","","","","","","0.877","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508331","11.1066","0.0001","8.9337","0.0001","13.772","0.0002","90","","100.615","0.001","90","","1343.11","0.03","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C60 H96 O8 -","2","1","","Wang, Cun-Qin; Wang, Lei; Fan, Chun-Lin; Zhang, Dong-Mei; Huang, Xiao-Jun; Jiang, Ren-Wang; Bai, Liang-Liang; Shi, Jun-Min; Wang, Ying; Ye, Wen-Cai","Ilelic Acids A and B, Two Unusual Triterpenes with a Seven-Membered Ring from Ilex latifolia.","Organic letters","2012","14","16","4102","4105","10.1021/ol301745b","","","1.54178","CuKα","","0.0508","0.0496","","","0.131","0.1329","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508332","9.0768","0.0004","25.8843","0.0013","14.4348","0.0007","90","","95.905","0.001","90","","3373.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C176 H152 N8 O8 -","8","2","","Wang, Lu; Shao, Yushang; Liu, Yuanhong","Nucleophilic addition of grignard reagents to 3-acylindoles: stereoselective synthesis of highly substituted indoline scaffolds.","Organic letters","2012","14","15","3978","3981","10.1021/ol301750b","","","0.71073","MoKα","","0.0718","0.0488","","","0.1158","0.1295","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508333","8.0652","0.0008","10.5023","0.001","20.722","0.002","90","","93.013","0.002","90","","1752.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Wang, Lu; Shao, Yushang; Liu, Yuanhong","Nucleophilic addition of grignard reagents to 3-acylindoles: stereoselective synthesis of highly substituted indoline scaffolds.","Organic letters","2012","14","15","3978","3981","10.1021/ol301750b","","","0.71073","MoKα","","0.0652","0.0488","","","0.1162","0.1256","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508334","11.435","0.006","6.33","0.004","12.887","0.007","90","","105.373","0.011","90","","899.4","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C46 H36 N4 O2 -","2","1","","Wang, Lu; Shao, Yushang; Liu, Yuanhong","Nucleophilic addition of grignard reagents to 3-acylindoles: stereoselective synthesis of highly substituted indoline scaffolds.","Organic letters","2012","14","15","3978","3981","10.1021/ol301750b","","","0.71073","MoKα","","0.0791","0.0643","","","0.1511","0.1614","","","","","","0.993","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508335","9.5516","0.001","9.6932","0.001","13.1354","0.0013","71.896","0.002","82.514","0.002","86.686","0.002","1145.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C60 H50 N2 O4 -","2","1","","Wang, Lu; Shao, Yushang; Liu, Yuanhong","Nucleophilic addition of grignard reagents to 3-acylindoles: stereoselective synthesis of highly substituted indoline scaffolds.","Organic letters","2012","14","15","3978","3981","10.1021/ol301750b","","","0.71073","MoKα","","0.0775","0.0613","","","0.1585","0.1716","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508336","15.423","0.004","9.935","0.002","17.829","0.005","90","","105.284","0.003","90","","2635.3","1.1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 Cl Cu N3 -","- C27 H37 Cl Cu N3 -","- C108 H148 Cl4 Cu4 N12 -","4","1","","Inomata, Hiroshi; Ogata, Kenichi; Fukuzawa, Shin-Ichi; Hou, Zhaomin","Direct C-H Carboxylation with Carbon Dioxide Using 1,2,3-Triazol-5-ylidene Copper(I) Complexes.","Organic letters","2012","14","15","3986","3989","10.1021/ol301760n","","","0.7107","MoKα","","","0.0543","","","","0.1052","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508337","5.6722","0.0006","8.1511","0.0009","14.9077","0.0017","102.962","0.001","94.38","0.001","93.876","0.001","667.18","0.13","173","2","173","2","","","","","","","","6","P 1","P 1","1","12090a","","","- C24 H34 Br Cl N4 O7 -","- C24 H34 Br Cl N4 O7 -","- C24 H34 Br Cl N4 O7 -","1","1","","Kopina, Brett J.; Lauhon, Charles T.","Efficient preparation of 2,4-diaminopyrimidine nucleosides: total synthesis of lysidine and agmatidine.","Organic letters","2012","14","16","4118","4121","10.1021/ol301769j","","","0.71073","MoKα","","0.044","0.0369","","","0.0752","0.0787","","","","","","1.026","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508338","12.676","0.015","7.391","0.008","13.835","0.016","90","","106.529","0.01","90","","1243","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C52 H56 Br4 N4 O8 -","4","1","","Lang, Rui; Shi, Lijun; Li, Dengfeng; Xia, Chungu; Li, Fuwei","A general method for palladium-catalyzed direct carbonylation of indole with alcohol and phenol.","Organic letters","2012","14","16","4130","4133","10.1021/ol3017726","","","0.71073","MoKα","","0.0717","0.041","","","0.0842","0.0961","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508339","9.717","0.005","12.451","0.006","15.602","0.008","90","","103.725","0.004","90","","1833.7","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Lang, Rui; Shi, Lijun; Li, Dengfeng; Xia, Chungu; Li, Fuwei","A general method for palladium-catalyzed direct carbonylation of indole with alcohol and phenol.","Organic letters","2012","14","16","4130","4133","10.1021/ol3017726","","","0.71073","MoKα","","0.0883","0.0459","","","0.1091","0.131","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508340","7.409","0.004","11.119","0.006","11.366","0.007","62.273","0.004","72.327","0.005","81.717","0.005","789.7","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C36 H44 N4 O4 -","2","1","","Lang, Rui; Shi, Lijun; Li, Dengfeng; Xia, Chungu; Li, Fuwei","A general method for palladium-catalyzed direct carbonylation of indole with alcohol and phenol.","Organic letters","2012","14","16","4130","4133","10.1021/ol3017726","","","0.71073","MoKα","","0.0652","0.0444","","","0.1023","0.1131","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508341","20.6019","0.0014","7.0886","0.0005","32.075","0.003","90","","90","","90","","4684.2","0.6","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H27 N7 O7 -","- C22 H27 N7 O7 -","- C176 H216 N56 O56 -","8","2","","Dyablo, Olga V.; Shmoilova, Elena A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Burov, Oleg N.; Starikova, Zoya A.","4,5-Bis(dimethylamino)quinolines: Proton Sponge versus Azine Behavior.","Organic letters","2012","14","16","4134","4137","10.1021/ol301777s","","","0.71073","MoKα","","0.0802","0.0535","","","0.0911","0.1015","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508342","17.4712","0.0013","6.955","0.0005","19.6475","0.0014","90","","108.812","0.002","90","","2259.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N6 O8 -","- C21 H26 N6 O8 -","- C84 H104 N24 O32 -","4","1","","Dyablo, Olga V.; Shmoilova, Elena A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Burov, Oleg N.; Starikova, Zoya A.","4,5-Bis(dimethylamino)quinolines: Proton Sponge versus Azine Behavior.","Organic letters","2012","14","16","4134","4137","10.1021/ol301777s","","","0.71073","MoKα","","0.1187","0.0562","","","0.0863","0.1045","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508343","6.0667","0.0001","14.0644","0.0003","36.6","0.0008","90","","90","","90","","3122.88","0.11","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O3 S -","- C15 H16 Cl N O3 S -","- C120 H128 Cl8 N8 O24 S8 -","8","2","","Jackowski, Olivier; Wang, Jianping; Xie, Xiaomin; Ayad, Tahar; Zhang, Zhaoguo; Ratovelomanana-Vidal, Virginie","Enantioselective Rhodium-Catalyzed Synthesis of α-Chloromethylene-γ-Butyrolactams from N-Allylic Alkynamides.","Organic letters","2012","14","15","4006","4009","10.1021/ol3017935","","","1.54178","CuKα","","0.0246","0.0241","","","0.0653","0.0657","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508344","13.593","0.003","14.451","0.004","15.435","0.004","105.313","0.005","91.45","0.004","91.371","0.004","2921.9","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H29 Cl9 N2 O4.16 -","- C82 H29 Cl9 N2 O4.155 -","- C164 H58 Cl18 N4 O8.31 -","2","1","","Liu, Shuming; Zhang, Qianyan; Yu, Yuming; Gan, Liangbing","Head-to-Tail and Back-to-Back Dimerization of an Open-Cage Fullerene Derivative through π-π Interaction-Based Self-Assembly.","Organic letters","2012","14","15","4002","4005","10.1021/ol301811p","","","0.71073","MoKα","","0.1013","0.0883","","","0.2021","0.2108","","","","","","1.166","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508345","11.8868","0.0003","16.5086","0.0005","14.6931","0.0004","90","","92.554","0.001","90","","2880.43","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H27 N O2 -","- C40 H27 N O2 -","- C160 H108 N4 O8 -","4","1","","Frigoli, Michel; Maurel, Francois; Berthet, Jérôme; Delbaere, Stéphanie; Marrot, Jérôme; Oliveira, Maria M.","The Control of Photochromism of [3H]-Naphthopyran Derivatives with Intramolecular CH-π Bonds.","Organic letters","2012","14","16","4150","4153","10.1021/ol301812e","","","0.71073","MoKα","","0.1303","0.1147","","","0.2591","0.2754","","","","","","1.417","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508346","7.3411","0.0003","8.1629","0.0003","18.5968","0.0008","90","","90","","90","","1114.41","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","1","","Kabro, Anzhelika; Escudero-Adán, Eduardo C; Grushin, Vladimir V.; van Leeuwen, Piet W. N. M.","Biomass conversion to high value chemicals: from furfural to chiral hydrofuroins in two steps.","Organic letters","2012","14","15","4014","4017","10.1021/ol3018402","","","0.71073","MoKα","","0.0368","0.033","","","0.0886","0.0916","","","","","","1.137","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508347","12.635","0.005","12.882","0.005","14.664","0.006","100.107","0.009","93.769","0.009","107.794","0.01","2219.1","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,8-bis((triisopropylsilyl)ethynyl)-6,13-dihydro-5,6,7,12,13,14-hexaazapentacene","","- C38 H50 N6 Si2 -","- C38 H50 N6 Si2 -","- C76 H100 N12 Si4 -","2","1","","He, Zikai; Mao, Renxin; Liu, Danqing; Miao, Qian","Highly electron-deficient hexaazapentacenes and their dihydro precursors.","Organic letters","2012","14","16","4190","4193","10.1021/ol301854z","","","0.71073","MoKα","","0.2634","0.0817","","","0.1702","0.2238","","","","","","0.755","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508348","9.048","0.014","12.658","0.018","17.48","0.03","92.57","0.03","94.61","0.03","101.66","0.03","1950","5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,4-bis((triisopropylsilyl)ethynyl)-6,13-dihydro-5,6,7,12,13,14-hexaazapentacene","","- C38 H50 N6 Si2 -","- C38 H50 N6 Si2 -","- C76 H100 N12 Si4 -","2","1","","He, Zikai; Mao, Renxin; Liu, Danqing; Miao, Qian","Highly electron-deficient hexaazapentacenes and their dihydro precursors.","Organic letters","2012","14","16","4190","4193","10.1021/ol301854z","","","0.71073","MoKα","","0.1284","0.0789","","","0.2001","0.2336","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508349","12.369","0.005","19.662","0.005","11.036","0.005","90","","108.049","0.005","90","","2551.9","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N2 O3 -","- C13 H13 N2 O3 -","- C104 H104 N16 O24 -","8","2","","Wei, Ying; Lin, Shaoxia; Liang, Fushun","One-pot cascade leading to direct α-imidation of ketones by a combination of N-bromosuccinimide and 1,8-diazabicyclo[5.4.1]undec-7-ene","Organic Letters","2012","14","16","4202","4205","10.1021/ol301871s","","","0.71069","MoKα","","0.0929","0.0533","","","0.1306","0.1566","","","","","","0.983","","","","has coordinates","218616","2020-10-21","18:00:00",""
"1508350","9.172","0.007","13.126","0.008","13.778","0.01","63.86","0.02","84.84","0.05","78.89","0.04","1461.2","1.8","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 Cl2 Fe N3 O2 -","- C33 H31 Cl2 Fe N3 O2 -","- C66 H62 Cl4 Fe2 N6 O4 -","2","1","","Ogata, Kenichi; Ohashi, Itsuki; Fukuzawa, Shin-Ichi","Rhodium-Catalyzed Three-Component Reaction between Silylacetylene and Two Ketenes Leading to 1,3-Enynes Bearing a Carboxylic Ester Group via Double Insertion of Ketenes.","Organic letters","2012","14","16","4214","4217","10.1021/ol301897h","","","0.71075","MoKα","","","0.0794","","","","0.2222","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508351","11.59","0.003","11.976","0.003","12.636","0.004","79.982","0.008","84.943","0.008","71.173","0.007","1633.8","0.8","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H33 Fe N3 O2 -","- C41 H33 Fe N3 O2 -","- C82 H66 Fe2 N6 O4 -","2","1","","Ogata, Kenichi; Ohashi, Itsuki; Fukuzawa, Shin-Ichi","Rhodium-Catalyzed Three-Component Reaction between Silylacetylene and Two Ketenes Leading to 1,3-Enynes Bearing a Carboxylic Ester Group via Double Insertion of Ketenes.","Organic letters","2012","14","16","4214","4217","10.1021/ol301897h","","","0.7107","MoKα","","","0.0535","","","","0.141","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508352","17.8351","0.0009","11.2002","0.0005","20.4039","0.0011","90","","111.555","0.002","90","","3790.8","0.3","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H66 Rh2 Si2 -","- C38 H66 Rh2 Si2 -","- C152 H264 Rh8 Si8 -","4","1","","Ogata, Kenichi; Ohashi, Itsuki; Fukuzawa, Shin-Ichi","Rhodium-Catalyzed Three-Component Reaction between Silylacetylene and Two Ketenes Leading to 1,3-Enynes Bearing a Carboxylic Ester Group via Double Insertion of Ketenes.","Organic letters","2012","14","16","4214","4217","10.1021/ol301897h","","","0.71075","MoKα","","","0.0931","","","","0.3666","","","","","","1.407","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508353","6.8209","0.0002","27.0063","0.0008","7.7986","0.0002","90","","111.561","0.001","90","","1336.04","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H30 N2 O9 -","- C29 H30 N2 O9 -","- C58 H60 N4 O18 -","2","1","","Tietze, Lutz F.; Wolfram, Thomas; Holstein, Julian J.; Dittrich, Birger","First enantioselective total synthesis of (+)-(R)-pinnatolide using an asymmetric domino allylation reaction.","Organic letters","2012","14","16","4035","4037","10.1021/ol301932d","","","1.54178","CuKα","","0.0377","0.0364","","","0.0993","0.1076","","","","","","1.142","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508354","9.401","0.0016","20.75","0.004","22.696","0.004","90","","90","","90","","4427.3","1.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H56 Cl4 N2 P2 Pd2 -","- C43 H56 Cl4 N2 P2 Pd2 -","- C172 H224 Cl16 N8 P8 Pd8 -","4","1","","Reynolds, Samantha C.; Hughes, Russell P.; Glueck, David S.; Rheingold, Arnold L.","Synthesis, Reactivity, and Resolution of a C(2)-Symmetric, P-Stereogenic Benzodiphosphetane, a Building Block for Chiral Bis(phosphines).","Organic letters","2012","14","16","4238","4241","10.1021/ol301935q","","","0.71073","MoKα","","0.0299","0.0272","","","0.0692","0.0711","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508355","7.9316","0.0005","11.5927","0.0007","19.0616","0.0012","90","","90","","90","","1752.69","0.19","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br N2 O5 -","- C16 H17 Br N2 O5 -","- C64 H68 Br4 N8 O20 -","4","1","","Chen, Guo-Ying; Zhong, Fangrui; Lu, Yixin","Asymmetric allylic alkylation of isatin-derived morita-baylis-hillman carbonates with nitroalkanes.","Organic letters","2012","14","15","3955","3957","10.1021/ol301962e","","","0.71073","MoKα","","0.0663","0.0403","","","0.086","0.0945","","","","","","0.977","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508356","9.1206","0.0003","10.6882","0.0003","16.4955","0.0005","100.445","0.001","99.399","0.001","93.992","0.002","1551.97","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","2","","Muralirajan, Krishnamoorthy; Parthasarathy, Kanniyappan; Cheng, Chien-Hong","Ru(II)-catalyzed amidation of 2-arylpyridines with isocyanates via C-H activation","Organic Letters","2012","14","16","4262","4265","10.1021/ol302000a","","","0.71073","MoKα","","0.0776","0.0466","","","0.1506","0.1968","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508357","10.069","0.002","12.069","0.003","14.804","0.004","88.984","0.006","89.148","0.006","65.025","0.006","1630.5","0.7","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","2","","Nanjo, Takeshi; Tsukano, Chihiro; Takemoto, Yoshiji","Palladium-Catalyzed Cascade Process Consisting of Isocyanide Insertion and Benzylic C(sp(3))-H Activation: Concise Synthesis of Indole Derivatives.","Organic letters","2012","14","16","4270","4273","10.1021/ol302035j","","","0.71075","MoKα","","","0.0951","","","","0.1852","","","","","","2.031","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508358","5.6229","0.0003","8.7918","0.0004","12.5901","0.0006","81.487","0.004","82.616","0.004","76.535","0.004","595.75","0.05","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C24 H37 N O4 -","- C24 H37 N O4 -","- C24 H37 N O4 -","1","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","1.54184","CuKα","","0.0632","0.0593","","0.1643","0.1554","0.1643","","","","","","0.9171","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508359","10.5891","0.0002","10.1907","0.0002","20.7473","0.0004","90","","103.072","0.0008","90","","2180.83","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H33 N O4 -","- C22 H33 N O4 -","- C88 H132 N4 O16 -","4","2","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","0.71073","MoKα","","0.0566","0.0415","","0.1095","0.0948","0.1095","","","","","","0.9464","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508360","10.5822","0.0004","11.4387","0.0006","12.8091","0.0008","90","","90","","90","","1550.5","0.14","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 I N O3 -","- C13 H22 I N O3 -","- C52 H88 I4 N4 O12 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","1.5418","CuKα","","0.1224","0.0624","","0.1468","0.0738","0.0608","","","","","","0.9631","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508361","11.7106","0.0005","7.0979","0.0004","11.9661","0.0007","90","","116.827","0.002","90","","887.58","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H23 I2 N O3 -","- C13 H23 I2 N O3 -","- C26 H46 I4 N2 O6 -","2","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","0.71073","MoKα","","0.0819","0.0485","","0.1012","0.0739","0.1012","","","","","","0.9367","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508362","6.3402","0.0002","8.2496","0.0003","18.8623","0.0006","90","","90","","90","","986.58","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","0.71073","MoKα","","0.0478","0.0383","","0.105","0.093","0.105","","","","","","0.9422","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508582","8.5922","0.0003","27.9843","0.0008","11.0408","0.0003","90","","90.662","0.001","90","","2654.55","0.14","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[(S)-(pmpp)Mn(CF3SO3)2","(S)-N-methyl(pyridin-2-yl)-N-((1-(pyridin-2-ylmethyl)pyrrolidin-2-yl)methyl) methanamine manganese(II) bis(trifluoromethanesulfonate)","","- C20 H24 F6 Mn N4 O6 S2 -","- C20 H24 F6 Mn N4 O6 S2 -","- C80 H96 F24 Mn4 N16 O24 S8 -","4","2","","Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Highly efficient, regioselective, and stereospecific oxidation of aliphatic C-H groups with H2O2, catalyzed by aminopyridine manganese complexes.","Organic letters","2012","14","17","4310","4313","10.1021/ol3015122","","x-ray","0.71073","MoKα","","0.0382","0.0338","","","0.0798","0.0813","","","","","","1.033","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508584","11.859","0.005","5.765","0.005","12.062","0.005","90","0.005","103.121","0.005","90","0.005","803.1","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 N3 O3 -","- C17 H13 N3 O3 -","- C34 H26 N6 O6 -","2","1","","Molleti, Nagaraju; Rana, Nirmal K.; Singh, Vinod K.","Highly enantioselective conjugate addition of malononitrile to 2-enoylpyridines with bifunctional organocatalyst.","Organic letters","2012","14","17","4322","4325","10.1021/ol3015607","","","0.71069","MoKα","","0.0783","0.0674","","","0.1855","0.2043","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508589","13.644","0.0003","9.5703","0.0002","20.6868","0.0004","90","","107.581","0.002","90","","2575.05","0.1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N2 O Si -","- C32 H24 N2 O Si -","- C128 H96 N8 O4 Si4 -","4","1","","Leung, Man-kit; Yang, Wan-Hsi; Chuang, Ching-Nan; Lee, Jiun-Haw; Lin, Chi-Feng; Wei, Mao-Kuo; Liu, Yu-Hao","1,3,4-Oxadiazole containing silanes as novel hosts for blue phosphorescent organic light emitting diodes","Organic Letters","2012","14","19","4986","4989","10.1021/ol301734a","","","1.54178","CuKα","","0.0476","0.0433","","","0.1346","0.1418","","","","","","1.176","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508590","12.0281","0.0002","34.2864","0.0005","7.905","0.0001","90","","91.094","0.001","90","","3259.43","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N4 O2 Si -","- C40 H28 N4 O2 Si -","- C160 H112 N16 O8 Si4 -","4","1","","Leung, Man-kit; Yang, Wan-Hsi; Chuang, Ching-Nan; Lee, Jiun-Haw; Lin, Chi-Feng; Wei, Mao-Kuo; Liu, Yu-Hao","1,3,4-Oxadiazole containing silanes as novel hosts for blue phosphorescent organic light emitting diodes","Organic Letters","2012","14","19","4986","4989","10.1021/ol301734a","","","1.54178","CuKα","","0.0507","0.0451","","","0.1407","0.1516","","","","","","1.235","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508591","42.5612","0.0009","11.6354","0.0003","18.685","0.0005","90","","106.238","0.002","90","","8884","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H38 N2 O2 Si2 -","- C51 H38 N2 O2 Si2 -","- C408 H304 N16 O16 Si16 -","8","1","","Leung, Man-kit; Yang, Wan-Hsi; Chuang, Ching-Nan; Lee, Jiun-Haw; Lin, Chi-Feng; Wei, Mao-Kuo; Liu, Yu-Hao","1,3,4-Oxadiazole containing silanes as novel hosts for blue phosphorescent organic light emitting diodes","Organic Letters","2012","14","19","4986","4989","10.1021/ol301734a","","","1.54178","CuKα","","0.0867","0.0756","","","0.2231","0.2334","","","","","","1.222","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508592","7.2067","0.0005","14.767","0.0011","10.1297","0.0005","90","","107.228","0.003","90","","1029.65","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2d","(Z)-4-(2-methoxylbenzylidene)-2-methyloxazol-5(4H)-one","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Blanco-Lomas, Marina; Campos, Pedro J.; Sampedro, Diego","Benzylidene-oxazolones as molecular photoswitches.","Organic letters","2012","14","17","4334","4337","10.1021/ol301741g","","","0.71073","MoKα","","0.0763","0.0515","","","0.1256","0.1401","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508593","7.2279","0.0003","12.4336","0.0005","17.6522","0.0007","90","","90","","90","","1586.38","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br N O5 -","- C16 H22 Br N O5 -","- C64 H88 Br4 N4 O20 -","4","1","","Navarro, Raul; Reisman, Sarah E.","Rapid construction of the aza-propellane core of acutumine via a photochemical [2 + 2] cycloaddition reaction.","Organic letters","2012","14","17","4354","4357","10.1021/ol3017963","","","0.71073","MoKα","","0.0728","0.049","","","0.0744","0.0768","","","","","","1.534","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508594","12.1329","0.0005","14.5974","0.0006","16.4163","0.0007","90","","90","","90","","2907.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C128 H184 N8 O32 -","8","2","","Navarro, Raul; Reisman, Sarah E.","Rapid construction of the aza-propellane core of acutumine via a photochemical [2 + 2] cycloaddition reaction.","Organic letters","2012","14","17","4354","4357","10.1021/ol3017963","","","0.71073","MoKα","","0.0649","0.042","","","0.0639","0.0649","","","","","","1.728","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508595","25.371","0.017","15.486","0.01","15.01","0.01","90","0.0013","115.355","0.0016","90","0.0013","5329","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","NDT3-TIPS-Bpin","NDT3-TIPS-Bpin","","- C44 H70 B2 O4 S2 Si2 -","- C44 H70 B2 O4 S2 Si2 -","- C176 H280 B8 O16 S8 Si8 -","4","0.5","","Shinamura, Shoji; Sugimoto, Ryusuke; Yanai, Naoyuki; Takemura, Noriko; Kashiki, Tomoya; Osaka, Itaru; Miyazaki, Eigo; Takimiya, Kazuo","Orthogonally functionalized naphthodithiophenes: selective protection and borylation.","Organic letters","2012","14","18","4718","4721","10.1021/ol301797g","","","0.7107","MoKα","","0.1234","0.0922","","","0.2433","0.2706","","","","","","1.094","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508596","15.815","0.002","14.931","0.003","22.388","0.004","90","0.0018","96.775","0.002","90","0.0018","5249.6","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NDT4-TIPS-BPin","NDT4-TIPS-BPin","","- C50 H84 B2 O4 S2 Si2 -","- C50 H84 B2 O4 S2 Si2 -","- C200 H336 B8 O16 S8 Si8 -","4","1","","Shinamura, Shoji; Sugimoto, Ryusuke; Yanai, Naoyuki; Takemura, Noriko; Kashiki, Tomoya; Osaka, Itaru; Miyazaki, Eigo; Takimiya, Kazuo","Orthogonally functionalized naphthodithiophenes: selective protection and borylation.","Organic letters","2012","14","18","4718","4721","10.1021/ol301797g","","","0.7107","MoKα","","0.1231","0.1026","","","0.3037","0.3305","","","","","","1.217","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508597","12.391","0.005","11.044","0.005","20.158","0.005","90","0.005","100.261","0.005","90","0.005","2714.4","1.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","","Liu, Bingxin; Hong, Xiaohu; Yan, Dong; Xu, Shuguang; Huang, Xiaomei; Xu, Bin","Palladium-catalyzed tandem allenyl and aryl C-N bond formation: efficient access to N-functionalized multisubstituted indoles.","Organic letters","2012","14","17","4398","4401","10.1021/ol3018775","","","0.71073","MoKα","","0.0977","0.0645","","","0.1606","0.1911","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508598","11.582","0.003","12.044","0.003","12.456","0.003","90","","108.772","0.003","90","","1645.1","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C80 H68 N4 O16 -","4","1","","Li, Jian; Wang, Ning; Li, Chunju; Jia, Xueshun","Construction of naphtho-fused oxindoles via the aryne Diels-Alder reaction with methyleneindolinones.","Organic letters","2012","14","19","4994","4997","10.1021/ol3018787","","","0.71073","MoKα","","0.0945","0.0722","","","0.2003","0.2227","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508599","9.4777","0.0011","24.893","0.003","8.2477","0.001","90","","100.39","0.001","90","","1914","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Li, Jian; Wang, Ning; Li, Chunju; Jia, Xueshun","Construction of naphtho-fused oxindoles via the aryne Diels-Alder reaction with methyleneindolinones.","Organic letters","2012","14","19","4994","4997","10.1021/ol3018787","","","0.71073","MoKα","","0.0578","0.0423","","","0.1032","0.1137","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508600","11.4787","0.0015","12.459","0.0016","27.785","0.004","90","","90","","90","","3973.6","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H16 N O3 -","- C26 H21 N O3 -","- C208 H168 N8 O24 -","8","2","","Li, Jian; Wang, Ning; Li, Chunju; Jia, Xueshun","Construction of naphtho-fused oxindoles via the aryne Diels-Alder reaction with methyleneindolinones.","Organic letters","2012","14","19","4994","4997","10.1021/ol3018787","","","0.71073","MoKα","","0.0762","0.0528","","","0.1273","0.1433","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508601","5.99198","0.00011","12.094","0.0002","24.5614","0.0005","90","","90.8124","0.0009","90","","1779.71","0.06","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","","Ikejiri, Masahiro; Tsuchino, Moe; Chihara, Yoshiko; Yamaguchi, Takao; Imanishi, Takeshi; Obika, Satoshi; Miyashita, Kazuyuki","Design and concise synthesis of a novel type of green fluorescent protein chromophore analogue.","Organic letters","2012","14","17","4406","4409","10.1021/ol301901e","","","1.54187","CuKα","","","0.0408","","","","0.0516","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508602","9.47","0.003","10.14","0.003","25.192","0.007","90","","90","","90","","2419.1","1.2","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Fe N2 O4 -","- C28 H26 Fe N2 O4 -","- C112 H104 Fe4 N8 O16 -","4","1","","Imae, Kazumi; Konno, Takashi; Ogata, Kenichi; Fukuzawa, Shin-ichi","Silver/ThioClickFerrophos-catalyzed enantioselective conjugate addition and cycloaddition of glycine imino ester with nitroalkenes.","Organic letters","2012","14","17","4410","4413","10.1021/ol301916t","","","0.71075","MoKα","","","0.0417","","","","0.1351","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508603","8.53926","0.00015","10.9997","0.0002","27.0467","0.0005","90","","90","","90","","2540.48","0.08","198","","198","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O5 -","- C28 H30 N2 O5 -","- C112 H120 N8 O20 -","4","1","","Imae, Kazumi; Konno, Takashi; Ogata, Kenichi; Fukuzawa, Shin-ichi","Silver/ThioClickFerrophos-catalyzed enantioselective conjugate addition and cycloaddition of glycine imino ester with nitroalkenes.","Organic letters","2012","14","17","4410","4413","10.1021/ol301916t","","","1.54187","CuKα","","","0.0677","","","","0.0611","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508604","11.8531","0.0009","3.8032","0.0003","14.0323","0.0011","90","","106.483","0.001","90","","606.58","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H8 N2 O S -","- C15 H8 N2 O S -","- C30 H16 N4 O2 S2 -","2","1","","Zhu, Yan-ping; Jia, Feng-cheng; Liu, Mei-cai; Wu, An-xin","A multipathway coupled domino strategy: metal-free oxidative cyclization for one-pot synthesis of 2-acylbenzothiazoles from multiform substrates.","Organic letters","2012","14","17","4414","4417","10.1021/ol301921t","","","0.71073","MoKα","","0.0279","0.0259","","","0.0793","0.0974","","","","","","1.264","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508605","9.1444","0.0015","22.89","0.004","7.0366","0.0012","90","","111.33","0.004","90","","1372","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Liu, Chuan; Zhang, Wei; Dai, Li-Xin; You, Shu-Li","Copper(I)-catalyzed cascade dearomatization of 2-substituted tryptophols with iodonium [corrected] salts.","Organic letters","2012","14","17","4525","4527","10.1021/ol301939w","","","0.71073","MoKα","","0.0898","0.0522","","","0.1264","0.1435","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508606","7.0392","0.0002","12.0912","0.0003","19.0161","0.0004","90","","90","","90","","1618.51","0.07","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Acortatarin B","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Wurst, Jacqueline M.; Verano, Alyssa L.; Tan, Derek S.","Stereoselective synthesis of acortatarins A and B.","Organic letters","2012","14","17","4442","4445","10.1021/ol3019456","","","1.54178","CuKα","","0.0362","0.0345","","","0.0853","0.0868","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508607","19.454","0.004","19.454","0.004","39.146","0.008","90","","90","","90","","14815","5","273","","273","","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C75 H76 Ag2 F22 N8 O7 S2 -","- C75 H75 Ag2 F22 N8 O7 S2 -","- C600 H600 Ag16 F176 N64 O56 S16 -","8","0.5","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0834","0.0719","","","0.2011","0.213","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508608","9.1074","0.0008","9.6457","0.0008","10.6243","0.0009","74.088","0.002","89.313","0.002","68.561","0.002","831.38","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 F8 N4 -","- C36 H36 F8 N4 -","- C36 H36 F8 N4 -","1","0.5","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0729","0.0538","","","0.1521","0.165","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508609","13.471","0.002","9.2889","0.0014","19.222","0.002","90","","134.152","0.006","90","","1725.8","0.4","223","","223","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C37 H44 Ag F3 N4 O3 S -","- C37 H44 Ag F3 N4 O3 S -","- C74 H88 Ag2 F6 N8 O6 S2 -","2","0.5","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0535","0.0482","","","0.1325","0.1384","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508610","9.8862","0.0016","14.843","0.003","27.08","0.004","90","","90.119","0.003","90","","3973.7","1.2","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H52 Ag F3 N4 O3 S -","- C41 H52 Ag F3 N4 O3 S -","- C164 H208 Ag4 F12 N16 O12 S4 -","4","1","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0635","0.0538","","","0.1287","0.1324","","","","","","1.214","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508611","10.159","0.002","15.697","0.003","27.925","0.006","90","","92.69","0.03","90","","4448.2","1.6","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H114 Ag2 F6 N8 O17 S2 -","- C84 H104 Ag2 F6 N8 O17 S2 -","- C168 H208 Ag4 F12 N16 O34 S4 -","2","0.5","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0849","0.0613","","","0.1618","0.1757","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508612","9.8526","0.0017","10.1866","0.0018","21.14","0.004","103.865","0.003","96.623","0.004","93.972","0.003","2035.8","0.6","90","","90","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H41 Ag Cl3 F7 N4 O3 S -","- C38 H41 Ag Cl3 F7 N4 O3 S -","- C76 H82 Ag2 Cl6 F14 N8 O6 S2 -","2","1","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0304","0.0284","","","0.0739","0.0749","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508613","13.3597","0.0018","11.0412","0.0015","18.9587","0.0019","90","","133.837","0.006","90","","2017.2","0.5","298","","298","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C37 H40 Ag F3 N8 O11 S -","- C37 H40 Ag F3 N8 O11 S -","- C74 H80 Ag2 F6 N16 O22 S2 -","2","1","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.051","0.0489","","","0.1348","0.1381","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508614","11.0721","0.0009","13.0067","0.0011","14.5178","0.0012","94.896","0.002","110.327","0.002","111.728","0.002","1765.5","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 N8 O8 -","- C36 H40 N8 O8 -","- C72 H80 N16 O16 -","2","1","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.1","0.0533","","","0.1217","0.1416","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508615","10.1935","0.001","10.3796","0.0011","13.4375","0.0014","79.073","0.002","84","0.002","81.856","0.002","1377.5","0.2","90","","90","","","","","","","","","7","P 1","P 1","1","","","","- C62 H64 Ag F3 N4 O8 S -","- C62 H64 Ag F3 N4 O8 S -","- C62 H64 Ag F3 N4 O8 S -","1","1","","Habata, Yoichi; Ikeda, Mari; Yamada, Sachiko; Takahashi, Hiroki; Ueno, Sumiko; Suzuki, Takatoshi; Kuwahara, Shunsuke","Argentivorous molecules: structural evidence for Ag(+)-π interactions in solution.","Organic letters","2012","14","17","4576","4579","10.1021/ol3019538","","","0.71073","MoKα","","0.0795","0.0781","","","0.2013","0.2037","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508616","9.4692","0.0006","5.9128","0.0004","12.8986","0.0007","90","","110.69","0.004","90","","675.61","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C34 H30 N2 O6 -","2","1","","De, Subhadip; Ghosh, Santanu; Bhunia, Subhajit; Sheikh, Javeed Ahmad; Bisai, Alakesh","Intramolecular direct dehydrohalide coupling promoted by KO(t)Bu: total synthesis of Amaryllidaceae alkaloids anhydrolycorinone and oxoassoanine.","Organic letters","2012","14","17","4466","4469","10.1021/ol3019677","","","0.71073","MoKα","","0.0397","0.0366","","","0.1259","0.1351","","","","","","0.611","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508617","7.7247","0.0008","15.2035","0.0015","25.702","0.003","90","","90","","90","","3018.5","0.6","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 Cl N O4 S Si -","- C28 H42 Cl N O4 S Si -","- C112 H168 Cl4 N4 O16 S4 Si4 -","4","1","","Narumi, Tetsuo; Kobayakawa, Takuya; Aikawa, Haruo; Seike, Shunsuke; Tamamura, Hirokazu","Stereoselective formation of trisubstituted (Z)-chloroalkenes adjacent to a tertiary carbon stereogenic center by organocuprate-mediated reduction/alkylation.","Organic letters","2012","14","17","4490","4493","10.1021/ol301988d","","","1.54187","CuKα","","","0.0777","","","","0.1373","","","","","","1.256","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508618","17.196","0.003","20.217","0.004","27.804","0.005","75.126","0.003","86.009","0.003","66.856","0.002","8585","3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C87.75 H113.75 N5.25 O23.75 -","- C87.7485 H113.746 N5.2495 O23.7495 -","- C350.994 H454.986 N20.998 O94.998 -","4","2","","Yamada, Hitomi; Ikeda, Toshiaki; Mizuta, Tsutomu; Haino, Takeharu","Modified synthesis and supramolecular polymerization of rim-to-rim connected bisresorcinarenes.","Organic letters","2012","14","17","4510","4513","10.1021/ol301996q","","","0.71073","MoKα","","0.191","0.1268","","","0.2652","0.3036","","","","","","1.127","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508619","9.925","0.003","12.634","0.002","13.644","0.003","90","","98.63","0.02","90","","1691.5","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","","Yan, Xiaoyu; Chen, Chao; Zhou, Yiqing; Xi, Chanjuan","Copper-catalyzed electrophilic amination of alkenylzirconocenes with O-benzoylhydroxylamines: an efficient method for synthesis of enamines.","Organic letters","2012","14","18","4750","4753","10.1021/ol302004t","","","0.71073","MoKα","","0.1087","0.0517","","","0.0876","0.1079","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508620","8.5616","0.0003","13.1029","0.0003","13.4976","0.0004","90","","90","","90","","1514.18","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Cl N2 O5 -","- C14 H15 Cl N2 O5 -","- C56 H60 Cl4 N8 O20 -","4","1","","Jörres, Manuel; Schiffers, Ingo; Atodiresei, Iuliana; Bolm, Carsten","Asymmetric Michael additions of α-nitrocyclohexanone to aryl nitroalkenes catalyzed by natural amino acid-derived bifunctional thioureas.","Organic letters","2012","14","17","4518","4521","10.1021/ol302005f","","","1.54178","CuKα","","0.0368","0.0363","","","0.0957","0.0963","","","","","","1.126","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508621","8.22449","0.00009","12.53894","0.00014","22.0629","0.0002","95.3801","0.0006","90.5993","0.0006","91.4925","0.0006","2264.28","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","- C96 H112 N16 O16 -","4","2","","Proulx, Caroline; Lubell, William D.","N-Amino-imidazolin-2-one peptide mimic synthesis and conformational analysis.","Organic letters","2012","14","17","4552","4555","10.1021/ol302021n","","","1.54178","CuKα","","0.0452","0.0406","","","0.108","0.1125","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508622","17.889","0.005","9.575","0.005","27.02","0.005","90","0.006","112.067","0.012","90","0.005","4289","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Crown ether based on Tröger's base","","- C50 H64 N4 O6 -","- C50 H64 N4 O6 -","- C200 H256 N16 O24 -","4","1","","Artacho, Josep; Ascic, Erhad; Rantanen, Toni; Wallentin, Carl-Johan; Dawaigher, Sami; Bergquist, Karl-Erik; Harmata, Michael; Snieckus, Victor; Wärnmark, Kenneth","Tröger's base twisted amides: endo functionalization and synthesis of an inverted crown ether.","Organic letters","2012","14","18","4706","4709","10.1021/ol302022y","","","0.71073","MoKα","","0.1382","0.0775","","","0.1932","0.2134","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508623","5.7402","0.0011","7.5688","0.0013","12.262","0.002","91.074","0.003","99.011","0.002","102.439","0.003","513.05","0.16","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H7 Br Cl N O -","- C10 H7 Br Cl N O -","- C20 H14 Br2 Cl2 N2 O2 -","2","1","","Zhou, Wei; Xie, Chen; Han, Jianlin; Pan, Yi","Catalyst-free intramolecular oxidative cyclization of N-allylbenzamides: a new route to 2,5-substituted oxazoles.","Organic letters","2012","14","18","4766","4769","10.1021/ol302031z","","","0.71073","MoKα","","0.0493","0.0412","","","0.1016","0.1047","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508624","15.5606","0.0007","9.0491","0.0003","20.4783","0.0007","90","","90","","90","","2883.54","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Nair, Divya K.; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Synthesis of imidazopyridines from the Morita-Baylis-Hillman acetates of nitroalkenes and convenient access to Alpidem and Zolpidem.","Organic letters","2012","14","17","4580","4583","10.1021/ol3020418","","","0.71073","MoKα","","0.0689","0.0514","","","0.1389","0.154","","","","","","1.096","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508625","10.4946","0.0002","17.9138","0.0004","10.7033","0.0002","90","","94.2147","0.0012","90","","2006.76","0.07","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O7 -","- C23 H25 N O7 -","- C92 H100 N4 O28 -","4","1","","Brown, Patrick D.; Willis, Anthony C.; Sherburn, Michael S.; Lawrence, Andrew L.","Total synthesis of incarviditone and incarvilleatone.","Organic letters","2012","14","17","4537","4539","10.1021/ol302042u","","","0.71073","MoKα","","0.0609","0.0485","","0.1352","0.126","0.1352","","","","","","0.9764","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508626","10.0277","0.0002","10.0277","0.0002","61.0217","0.0012","90","","90","","90","","6136","0.2","133","2","133","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C34 H30 Br N3 O6 S -","- C34 H30 Br N3 O6 S -","- C272 H240 Br8 N24 O48 S8 -","8","1","","Cai, Quan; Liu, Chuan; Liang, Xiao-Wei; You, Shu-Li","Enantioselective construction of pyrroloindolines via chiral phosphoric acid catalyzed cascade Michael addition-cyclization of tryptamines.","Organic letters","2012","14","17","4588","4590","10.1021/ol302043s","","","1.54178","CuKα","","0.0291","0.0286","","","0.0714","0.0717","","","","","","1.101","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508627","21.5","0.005","9.8086","0.0019","18.115","0.004","90","","116.131","0.004","90","","3429.7","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F N2 O -","- C22 H17 F N2 O -","- C176 H136 F8 N16 O8 -","8","1","","Wang, Huiyuan; Li, Lili; Lin, Wei; Xu, Pan; Huang, Zhibin; Shi, Daqing","An efficient synthesis of pyrrolo[2,3,4-kl]acridin-1-one derivatives catalyzed by L-proline.","Organic letters","2012","14","17","4598","4601","10.1021/ol302058g","","","0.7107","MoKα","","0.0638","0.057","","","0.1292","0.1338","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508628","8.3506","0.0006","8.5287","0.0006","12.1084","0.001","94.429","0.006","100.123","0.007","114.107","0.007","764.16","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H10 Cl F N2 O -","- C20 H10 Cl F N2 O -","- C40 H20 Cl2 F2 N4 O2 -","2","1","","Wang, Huiyuan; Li, Lili; Lin, Wei; Xu, Pan; Huang, Zhibin; Shi, Daqing","An efficient synthesis of pyrrolo[2,3,4-kl]acridin-1-one derivatives catalyzed by L-proline.","Organic letters","2012","14","17","4598","4601","10.1021/ol302058g","","","0.71073","MoKα","","0.0554","0.0414","","","0.092","0.1011","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508629","7.713","0.005","14.167","0.005","11.379","0.005","90","0.005","103.102","0.005","90","0.005","1211","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C60 H44 N12 O4 -","4","1","","Xu, Shuguang; Huang, Xiaomei; Hong, Xiaohu; Xu, Bin","Palladium-assisted regioselective C-H cyanation of heteroarenes using isonitrile as cyanide source.","Organic letters","2012","14","17","4614","4617","10.1021/ol302070t","","","0.71073","MoKα","","0.0436","0.036","","","0.0962","0.1016","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508630","28.956","0.003","12.8042","0.0011","11.6536","0.001","90","","100.281","0.001","90","","4251.3","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H50 Cl2 N4 O10 -","- C43 H50 Cl2 N4 O10 -","- C172 H200 Cl8 N16 O40 -","4","0.5","","Villa, Reymundo A.; Xu, Qihai; Kwon, Ohyun","Total synthesis of (±)-hirsutine: application of phosphine-catalyzed imine-allene [4 + 2] annulation.","Organic letters","2012","14","17","4634","4637","10.1021/ol302077n","","","0.71073","MoKα","","0.0531","0.0437","","","0.1144","0.1226","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508631","7.819","0.003","11.48","0.004","9.859","0.004","90","","105.707","0.006","90","","851.9","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C40 H42 N2 O4 S2 -","2","1","","Wakabayashi, Ryota; Kurahashi, Takuya; Matsubara, Seijiro","Cobalt(III) porphyrin catalyzed aza-Diels-Alder reaction.","Organic letters","2012","14","18","4794","4797","10.1021/ol3020946","","","0.71073","MoKα","","0.0385","0.0369","","","0.096","0.0973","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508632","10.6082","0.0017","11.042","0.0019","14.459","0.002","72.785","0.003","75.236","0.003","79.948","0.003","1555.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Cl3 N O2 S -","- C34 H30 Cl3 N O2 S -","- C68 H60 Cl6 N2 O4 S2 -","2","1","","Wakabayashi, Ryota; Kurahashi, Takuya; Matsubara, Seijiro","Cobalt(III) porphyrin catalyzed aza-Diels-Alder reaction.","Organic letters","2012","14","18","4794","4797","10.1021/ol3020946","","","0.71073","MoKα","","0.1245","0.0895","","","0.253","0.2867","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508633","9.2967","0.0013","4.9715","0.0007","14.604","0.002","90","","96.137","0.002","90","","671.11","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","BENZOPYRANO[4,3-B]-1,4-OXAZIN","TETRAHYDRO-4-PROPYL-2H,5H-[1]BENZOPYRANO[4,3-B]-1,4-OXAZIN","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C30 H42 N2 O6 -","2","1","","Fukunaga, Yasuaki; Uchida, Tatsuya; Ito, Yutaro; Matsumoto, Kenji; Katsuki, Tsutomu","Ru(CO)-salen-catalyzed synthesis of enantiopure aziridinyl ketones and formal asymmetric synthesis of (+)-PD 128907.","Organic letters","2012","14","17","4658","4661","10.1021/ol302095r","","x-ray","0.71073","MoKα","","0.0399","0.0344","","","0.0841","0.0865","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508634","6.277","0.004","12.925","0.007","22.242","0.012","90","","90","","90","","1804.5","1.8","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","3-amino-6-methoxychroman-4-one","3-(2-trimethylsilylethansulfonyl)amido-6-methoxychroman-4-one","","- C15 H23 N O5 S Si -","- C15 H23 N O5 S Si -","- C60 H92 N4 O20 S4 Si4 -","4","1","","Fukunaga, Yasuaki; Uchida, Tatsuya; Ito, Yutaro; Matsumoto, Kenji; Katsuki, Tsutomu","Ru(CO)-salen-catalyzed synthesis of enantiopure aziridinyl ketones and formal asymmetric synthesis of (+)-PD 128907.","Organic letters","2012","14","17","4658","4661","10.1021/ol302095r","","x-ray","0.71073","MoKα","","0.0291","0.0272","","","0.0698","0.0709","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508635","6.0163","0.0004","11.5254","0.0008","24.3425","0.0018","90","","90","","90","","1687.9","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O3 S Si -","- C14 H25 N O3 S Si -","- C56 H100 N4 O12 S4 Si4 -","4","1","","Fukunaga, Yasuaki; Uchida, Tatsuya; Ito, Yutaro; Matsumoto, Kenji; Katsuki, Tsutomu","Ru(CO)-salen-catalyzed synthesis of enantiopure aziridinyl ketones and formal asymmetric synthesis of (+)-PD 128907.","Organic letters","2012","14","17","4658","4661","10.1021/ol302095r","","","0.71073","MoKα","","0.022","0.0214","","","0.0573","0.0577","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508636","9.3159","0.0014","11.7847","0.0018","15.718","0.002","91.746","0.003","99.673","0.004","90.051","0.004","1700.2","0.4","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl I N O -","- C20 H17 Cl I N O -","- C80 H68 Cl4 I4 N4 O4 -","4","2","","Petrone, David A.; Malik, Hasnain A.; Clemenceau, Antonin; Lautens, Mark","Functionalized chromans and isochromans via a diastereoselective Pd(0)-catalyzed carboiodination.","Organic letters","2012","14","18","4806","4809","10.1021/ol302111y","","","0.71073","MoKα","","0.0546","0.0445","","","0.1161","0.1188","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508637","14.2621","0.0004","16.5312","0.0006","6.638","0.0002","90","","90","","90","","1565.04","0.09","147","2","147","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H17 I O3 -","- C18 H17 I O3 -","- C72 H68 I4 O12 -","4","1","","Petrone, David A.; Malik, Hasnain A.; Clemenceau, Antonin; Lautens, Mark","Functionalized chromans and isochromans via a diastereoselective Pd(0)-catalyzed carboiodination.","Organic letters","2012","14","18","4806","4809","10.1021/ol302111y","","","0.71073","MoKα","","0.0355","0.0252","","","0.0473","0.0505","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508638","7.8127","0.0006","11.0446","0.0006","16.6137","0.001","90","","99.9584","0.0018","90","","1411.97","0.16","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","","Park, Hyun Bong; Kim, Young-Joo; Lee, Jae Kyun; Lee, Kang Ro; Kwon, Hak Cheol","Spirobacillenes A and B, unusual spiro-cyclopentenones from Lysinibacillus fusiformis KMC003.","Organic letters","2012","14","19","5002","5005","10.1021/ol302115z","","","0.71075","MoKα","","","0.0368","","","","0.1061","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508639","6.1607","0.0002","15.6317","0.0007","11.1413","0.0005","90","","90.347","0.002","90","","1072.91","0.08","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N2 O5 S -","- C22 H17 F3 N2 O5 S -","- C44 H34 F6 N4 O10 S2 -","2","1","","Tolstoy, Päivi; Lee, Samantha X. Y.; Sparr, Christof; Ley, Steven V.","Synthesis of enantiomerically enriched 3-amino-2-oxindoles through a palladium-mediated asymmetric intramolecular arylation of α-ketimino amides.","Organic letters","2012","14","18","4810","4813","10.1021/ol302119j","","","0.71073","MoKα","","0.0806","0.0379","","","0.0683","0.0733","","","","","","0.797","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508640","5.9853","0.0001","16.2493","0.0003","10.5283","0.0002","90","","90.47","0.03","90","","1023.92","0.03","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N2 O4 S -","- C22 H17 F3 N2 O4 S -","- C44 H34 F6 N4 O8 S2 -","2","1","","Tolstoy, Päivi; Lee, Samantha X. Y.; Sparr, Christof; Ley, Steven V.","Synthesis of enantiomerically enriched 3-amino-2-oxindoles through a palladium-mediated asymmetric intramolecular arylation of α-ketimino amides.","Organic letters","2012","14","18","4810","4813","10.1021/ol302119j","","","0.71073","MoKα","","0.0375","0.0331","","","0.0809","0.0837","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508641","12.5078","0.0003","9.4222","0.0002","18.6676","0.0006","90","","94.411","0.001","90","","2193.48","0.1","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H19 Br N2 O2 -","- C27 H19 Br N2 O2 -","- C108 H76 Br4 N8 O8 -","4","2","","Tolstoy, Päivi; Lee, Samantha X. Y.; Sparr, Christof; Ley, Steven V.","Synthesis of enantiomerically enriched 3-amino-2-oxindoles through a palladium-mediated asymmetric intramolecular arylation of α-ketimino amides.","Organic letters","2012","14","18","4810","4813","10.1021/ol302119j","","","0.71073","MoKα","","0.074","0.0404","","","0.0903","0.097","","","","","","0.941","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508642","7.573","0.005","7.603","0.005","23.79","0.016","97.374","0.013","94.761","0.011","91.033","0.009","1353.2","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 B F2 N O S -","- C15 H10 B F2 N O S -","- C60 H40 B4 F8 N4 O4 S4 -","4","2","","Kubota, Yasuhiro; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of thiazole-boron complexes bearing a β-ketoiminate ligand.","Organic letters","2012","14","17","4682","4685","10.1021/ol302179r","","","0.71075","MoKα","","0.102","0.0534","","","0.1103","0.1339","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508643","9.42","0.0015","22.286","0.004","21.009","0.005","90","","90","","90","","4410.5","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","benzothia_BPh2","","","- C27 H20 B N O S -","- C27 H20 B N O S -","- C216 H160 B8 N8 O8 S8 -","8","1","","Kubota, Yasuhiro; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of thiazole-boron complexes bearing a β-ketoiminate ligand.","Organic letters","2012","14","17","4682","4685","10.1021/ol302179r","","","0.71075","MoKα","","0.0828","0.0591","","","0.1378","0.1533","","","","","","1.128","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508644","10.7579","0.0003","11.8769","0.0003","13.9733","0.0004","90","","90","","90","","1785.38","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Mohanan, Kishor; Coquerel, Yoann; Rodriguez, Jean","Transition-metal-free α-arylation of β-keto amides via an interrupted insertion reaction of arynes.","Organic letters","2012","14","17","4686","4689","10.1021/ol302180v","","x-ray","0.71073","MoKα","","0.0916","0.059","","","0.152","0.1918","","","","","","1.234","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508645","8.2769","0.0003","12.3605","0.0004","13.4157","0.0004","90","","90","","90","","1372.51","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Ding, Jian-Hai; Feng, Tao; Li, Zheng-Hui; Yang, Xiao-Yan; Guo, Hua; Yin, Xia; Wang, Gang-Qiang; Liu, Ji-Kai","Trefolane A, a sesquiterpenoid with a new skeleton from cultures of the basidiomycete Tremella foliacea.","Organic letters","2012","14","18","4976","4978","10.1021/ol302184r","","","1.54178","CuKα","","0.0342","0.0342","","","0.0888","0.0888","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508646","5.927","0.005","12.535","0.005","24.978","0.005","90","","90","","90","","1855.7","1.8","293","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O5 S -","- C19 H27 N O5 S -","- C76 H108 N4 O20 S4 -","4","1","","Bardají, Nuria; Sánchez-Izquierdo, Francisco; Alibés, Ramón; Font, Josep; Busqué, Félix; Figueredo, Marta","Flexible approach to stemona alkaloids: total syntheses of (-)-stemospironine and three new diastereoisomeric analogs.","Organic letters","2012","14","18","4854","4857","10.1021/ol302185j","","","0.7379","MoKα","","0.1175","0.0638","","","0.1329","0.1581","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508647","7.8712","0.0002","8.5353","0.0002","11.5772","0.0003","80.313","0.001","79.366","0.001","68.638","0.001","707.56","0.03","157","1","157","1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H10 O4 -","- C20 H10 O4 -","- C40 H20 O8 -","2","1","","Podlesny, Erin E.; Carroll, Patrick J.; Kozlowski, Marisa C.","Selective oxidation of 8,8'-hydroxylated binaphthols to bis-spironaphthalenones or binaphtho-para- and binaphtho-ortho-quinones.","Organic letters","2012","14","18","4862","4865","10.1021/ol302195e","","","0.71073","MoKα","","0.0363","0.0334","","","0.0853","0.088","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508648","11.3087","0.0006","13.2371","0.0008","11.233","0.0007","90","","102.401","0.002","90","","1642.28","0.17","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 O6 -","- C22 H14 O6 -","- C88 H56 O24 -","4","1","","Podlesny, Erin E.; Carroll, Patrick J.; Kozlowski, Marisa C.","Selective oxidation of 8,8'-hydroxylated binaphthols to bis-spironaphthalenones or binaphtho-para- and binaphtho-ortho-quinones.","Organic letters","2012","14","18","4862","4865","10.1021/ol302195e","","","0.71073","MoKα","","0.0559","0.0361","","","0.1186","0.163","","","","","","1.32","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508649","12.1645","0.0013","6.6205","0.0006","20.4873","0.0017","90","","102.566","0.005","90","","1610.4","0.3","143","1","143","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C88 H72 O16 -","4","1","","Podlesny, Erin E.; Carroll, Patrick J.; Kozlowski, Marisa C.","Selective oxidation of 8,8'-hydroxylated binaphthols to bis-spironaphthalenones or binaphtho-para- and binaphtho-ortho-quinones.","Organic letters","2012","14","18","4862","4865","10.1021/ol302195e","","","0.71073","MoKα","","0.0486","0.0375","","","0.0819","0.0861","","","","","","1.058","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508650","9.7896","0.0017","12.162","0.002","15.496","0.003","106.137","0.004","93.384","0.005","90.748","0.005","1768.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O S2 -","- C22 H16 O S2 -","- C88 H64 O4 S8 -","4","2","","Das, Debjit; Pratihar, Sanjay; Roy, Sujit","Heterobimetallic Pd-Sn catalysis: a Suzuki, tandem ring-closing sequence toward indeno[2,1-b]thiophenes and indeno[2,1-b]indoles","Organic Letters","2012","14","18","4870","4873","10.1021/ol3021995","","","0.71073","MoKα","","0.1061","0.0463","","","0.1052","0.1355","","","","","","0.989","","","","has coordinates","218640","2020-10-21","18:00:00",""
"1508651","9.6431","0.0013","19.913","0.003","11.4754","0.0015","90","","95.085","0.004","90","","2194.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N O3 -","- C27 H25 N O3 -","- C108 H100 N4 O12 -","4","2","","Das, Debjit; Pratihar, Sanjay; Roy, Sujit","Heterobimetallic Pd-Sn catalysis: a Suzuki, tandem ring-closing sequence toward indeno[2,1-b]thiophenes and indeno[2,1-b]indoles","Organic Letters","2012","14","18","4870","4873","10.1021/ol3021995","","","0.71073","MoKα","","0.4132","0.083","","","0.0919","0.1783","","","","","","0.83","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508652","12.9195","0.0007","16.8233","0.0009","18.7031","0.0011","90","","119.854","0.004","90","","3525.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl4 P2 Pd Sn -","- C36 H30 Cl4 P2 Pd Sn -","- C144 H120 Cl16 P8 Pd4 Sn4 -","4","1","","Das, Debjit; Pratihar, Sanjay; Roy, Sujit","Heterobimetallic Pd-Sn catalysis: a Suzuki, tandem ring-closing sequence toward indeno[2,1-b]thiophenes and indeno[2,1-b]indoles","Organic Letters","2012","14","18","4870","4873","10.1021/ol3021995","","","0.71073","MoKα","","0.0845","0.0565","","","0.1675","0.1934","","","","","","1.327","","","","has coordinates","218640","2020-10-21","18:00:00",""
"1508653","10.0065","0.0008","11.098","0.0009","12.8083","0.001","72.456","0.001","86.613","0.001","63.391","0.001","1207.76","0.17","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37 N O3 S2 -","- C24 H37 N O3 S2 -","- C48 H74 N2 O6 S4 -","2","1","","Tanaka, Ryo; Ohishi, Kentaro; Takanashi, Noriyuki; Nagano, Tomohiko; Suizu, Hiroshi; Suzuki, Takahiro; Kobayashi, Susumu","Synthetic study of pyrrocidines: first entry to the decahydrofluorene core of pyrrocidines.","Organic letters","2012","14","18","4886","4889","10.1021/ol3022116","","","0.71073","MoKα","","0.0376","0.0346","","","0.0921","0.0947","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508654","10.6813","0.0006","16.8095","0.001","21.7327","0.0013","90","","95.302","0.001","90","","3885.4","0.4","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 O5 -","- C18 H32 O5 -","- C144 H256 O40 -","8","2","","Harrison, Tyler J.; Rabbat, Philippe M. A.; Leighton, James L.","An ""aprotic"" Tamao oxidation/syn-selective tautomerization reaction for the efficient synthesis of the C1-C9 fragment of fludelone.","Organic letters","2012","14","18","4890","4893","10.1021/ol302221s","","","0.71073","MoKα","","0.1032","0.0507","","","0.1133","0.139","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508655","7.3253","0.0006","24.5749","0.0012","8.0859","0.0007","90","","116.611","0.011","90","","1301.4","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O -","- C14 H17 N3 O -","- C56 H68 N12 O4 -","4","1","","Huang, Guan-Jhih; Ho, Jinn-Hsuan; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Site-selective hydrogen-bonding-induced fluorescence quenching of highly solvatofluorochromic GFP-like chromophores.","Organic letters","2012","14","19","5034","5037","10.1021/ol302237k","","","1.54178","CuKα","","0.093","0.0557","","","0.1431","0.1738","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508656","9.4598","0.0002","7.6176","0.0001","10.0179","0.0002","90","","95.575","0.002","90","","718.48","0.02","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C30 H38 N6 O4 -","2","1","","Huang, Guan-Jhih; Ho, Jinn-Hsuan; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Site-selective hydrogen-bonding-induced fluorescence quenching of highly solvatofluorochromic GFP-like chromophores.","Organic letters","2012","14","19","5034","5037","10.1021/ol302237k","","","1.54178","CuKα","","0.0323","0.0316","","","0.0888","0.0895","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508657","7.4623","0.0008","7.9403","0.0009","14.3735","0.0015","100.622","0.009","92.419","0.009","112.362","0.01","768.19","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 O2 -","- C16 H21 N3 O2 -","- C32 H42 N6 O4 -","2","1","","Huang, Guan-Jhih; Ho, Jinn-Hsuan; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Site-selective hydrogen-bonding-induced fluorescence quenching of highly solvatofluorochromic GFP-like chromophores.","Organic letters","2012","14","19","5034","5037","10.1021/ol302237k","","","1.54178","CuKα","","0.1344","0.0885","","","0.2256","0.2525","","","","","","1.433","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508658","18.3","0.02","3.974","0.005","11.7","0.02","90","0.003","104.608","0.003","90","0.003","823","2","293.2","","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 S4 -","- C22 H10 S4 -","- C44 H20 S8 -","2","0.5","","Yamamoto, Tatsuya; Nishimura, Takeshi; Mori, Takamichi; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo","Largely π-extended thienoacenes with internal thieno[3,2-b]thiophene substructures: synthesis, characterization, and organic field-effect transistor applications.","Organic letters","2012","14","18","4914","4917","10.1021/ol302243t","","","0.7107","MoKα","","","0.0878","","","","0.2062","","","","","","1.121","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508659","8.2024","0.0006","13.1986","0.0009","22.0399","0.0016","90","","90.798","0.003","90","","2385.8","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","NOOLE 035 R4","(R)-3,4-Dichloro-3-((S)-2-nitro-1-phenylethyl)indolin-2-one","","- C16 H12 Cl2 N2 O3 -","- C16 H12 Cl2 N2 O3 -","- C96 H72 Cl12 N12 O18 -","6","3","","Noole, Artur; Järving, Ivar; Werner, Franz; Lopp, Margus; Malkov, Andrei; Kanger, Tōnis","Organocatalytic asymmetric synthesis of 3-chlorooxindoles bearing adjacent quaternary-tertiary centers.","Organic letters","2012","14","18","4922","4925","10.1021/ol302245b","","","0.71073","MoKα","","0.0457","0.0379","","","0.0855","0.0901","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508660","8.6594","0.0012","10.1961","0.0015","13.4694","0.0019","75.93","0.002","72.355","0.002","72.025","0.003","1063.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H23 F3 O4 -","- C23 H23 F3 O4 -","- C46 H46 F6 O8 -","2","1","","Liu, Jun; Liu, Yuanhong","Gold-catalyzed cyclizations of (o-alkynyl)phenoxyacrylates with external nucleophiles: regio- and stereoselective synthesis of functionalized benzo[b]oxepines.","Organic letters","2012","14","18","4742","4745","10.1021/ol302252h","","","0.71073","MoKα","","0.0652","0.0496","","","0.1336","0.1445","","","","","","1.028","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508661","11.455","0.001","9.7275","0.0008","16.9207","0.0015","90","","91.34","0.002","90","","1884.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 O4 S -","- C20 H22 O4 S -","- C80 H88 O16 S4 -","4","1","","Liu, Jun; Liu, Yuanhong","Gold-catalyzed cyclizations of (o-alkynyl)phenoxyacrylates with external nucleophiles: regio- and stereoselective synthesis of functionalized benzo[b]oxepines.","Organic letters","2012","14","18","4742","4745","10.1021/ol302252h","","","0.71073","MoKα","","0.0767","0.0577","","","0.1549","0.1672","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508662","27.97","0.002","10.9798","0.0008","18.1836","0.0014","90","","109.909","0.001","90","","5250.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 N O5 S -","- C29 H31 N O5 S -","- C232 H248 N8 O40 S8 -","8","1","","Liu, Jun; Liu, Yuanhong","Gold-catalyzed cyclizations of (o-alkynyl)phenoxyacrylates with external nucleophiles: regio- and stereoselective synthesis of functionalized benzo[b]oxepines.","Organic letters","2012","14","18","4742","4745","10.1021/ol302252h","","","0.71073","MoKα","","0.0694","0.0556","","","0.1484","0.1601","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508663","11.0313","0.0003","9.5234","0.0002","31.3481","0.0008","90","","90","","90","","3293.29","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H15 F N2 O4 -","- C19 H15 F N2 O4 -","- C152 H120 F8 N16 O32 -","8","1","","Smith, Donna L.; Chidipudi, Suresh Reddy; Goundry, William R.; Lam, Hon Wai","Rhodium-catalyzed [2 + 2] cycloaddition of ynamides with nitroalkenes.","Organic letters","2012","14","18","4934","4937","10.1021/ol302259v","","","1.54178","CuKα","","0.0438","0.0376","","","0.0924","0.0974","","","","","","1.028","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508664","15.842","0.005","6.005","0.0019","24.945","0.008","90","","96.813","0.004","90","","2356.3","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Br N2 O5 -","- C25 H29 Br N2 O5 -","- C100 H116 Br4 N8 O20 -","4","1","","Barcan, Gregg A.; Patel, Ashay; Houk, K. N.; Kwon, Ohyun","A torquoselective 6π electrocyclization approach to reserpine alkaloids.","Organic letters","2012","14","21","5388","5391","10.1021/ol302265z","","","0.71073","MoKα","","0.0669","0.0406","","","0.0833","0.0923","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508665","14.898","0.011","11.174","0.008","19.457","0.014","90","","111.684","0.007","90","","3010","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N2 O6 -","- C34 H38 N2 O6 -","- C136 H152 N8 O24 -","4","1","","Barcan, Gregg A.; Patel, Ashay; Houk, K. N.; Kwon, Ohyun","A torquoselective 6π electrocyclization approach to reserpine alkaloids.","Organic letters","2012","14","21","5388","5391","10.1021/ol302265z","","","0.71073","MoKα","","0.1376","0.0745","","","0.1763","0.2072","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508666","5.7984","0.0006","8.1094","0.0008","27.979","0.003","90","","90.804","0.003","90","","1315.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Chen, Feng; Shen, Tao; Cui, Yuxin; Jiao, Ning","2,4- vs 3,4-disubsituted pyrrole synthesis switched by copper and nickel catalysts.","Organic letters","2012","14","18","4926","4929","10.1021/ol302270z","","","0.71073","MoKα","","0.0552","0.0383","","","0.0887","0.104","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508667","15.7767","0.001","14.3048","0.001","24.0147","0.0016","90","","90","","90","","5419.7","0.6","90","0.5","90","0.5","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C92.25 H46 -","- C80 H32 -","- C320 H128 -","4","1","","Yanney, Michael; Fronczek, Frank R.; Sygula, Andrzej","Corannulene subunit acts as a diene in a cycloaddition reaction: synthesis of C80H32 corannulyne tetramer.","Organic letters","2012","14","18","4942","4945","10.1021/ol302274j","","","1.54178","CuKα","","0.0824","0.0553","","","0.1065","0.1168","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508668","12.1767","0.0007","13.3547","0.0007","10.367","0.0006","90","","98.454","0.001","90","","1667.52","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Mo, Dong-Liang; Wink, Donald A.; Anderson, Laura L.","Preparation and rearrangement of N-vinyl nitrones: synthesis of spiroisoxazolines and fluorene-tethered isoxazoles.","Organic letters","2012","14","20","5180","5183","10.1021/ol3022885","","x-ray","0.71073","MoKα","","0.0669","0.0548","","","0.1575","0.1679","","","","","","1.081","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508669","12.4131","0.0019","12.868","0.002","13.645","0.002","94.697","0.003","97.648","0.003","96.324","0.003","2136.7","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","2","","Mo, Dong-Liang; Wink, Donald A.; Anderson, Laura L.","Preparation and rearrangement of N-vinyl nitrones: synthesis of spiroisoxazolines and fluorene-tethered isoxazoles.","Organic letters","2012","14","20","5180","5183","10.1021/ol3022885","","","0.71073","MoKα","","0.1686","0.0745","","","0.2274","0.3084","","","","","","0.95","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508670","12.248","0.003","9.8892","0.0014","18.728","0.003","90","","101.406","0.019","90","","2223.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C120 H100 N4 O8 -","4","1","","Aggarwal, Trapti; Jha, Rajeev R.; Tiwari, Rakesh K.; Kumar, Sonu; Kotla, Siva K Reddy; Kumar, Sushil; Verma, Akhilesh K.","Palladium-catalyzed regioselective [3 + 2] annulation of internal alkynes and iodo-pyranoquinolines with concomitant ring opening.","Organic letters","2012","14","20","5184","5187","10.1021/ol3022935","","","0.71073","MoKα","","0.1526","0.0905","","","0.1553","0.179","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508671","14.1464","0.0007","19.8061","0.0007","9.9041","0.0004","90","","105.253","0.005","90","","2677.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 N O2 -","- C35 H30 N O2 -","- C140 H120 N4 O8 -","4","1","","Aggarwal, Trapti; Jha, Rajeev R.; Tiwari, Rakesh K.; Kumar, Sonu; Kotla, Siva K Reddy; Kumar, Sushil; Verma, Akhilesh K.","Palladium-catalyzed regioselective [3 + 2] annulation of internal alkynes and iodo-pyranoquinolines with concomitant ring opening.","Organic letters","2012","14","20","5184","5187","10.1021/ol3022935","","","0.71073","MoKα","","0.0569","0.0492","","","0.1243","0.1291","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508672","9.2972","0.0008","28.872","0.003","10.5273","0.0009","90","","108.994","0.001","90","","2672","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N2 O3 -","- C30 H27 Cl N2 O3 -","- C120 H108 Cl4 N8 O12 -","4","1","","Jiang, Bo; Li, Qiu-Yun; Tu, Shu-Jiang; Li, Guigen","Three-component domino reactions for selective formation of indeno[1,2-b]indole derivatives.","Organic letters","2012","14","20","5210","5213","10.1021/ol3023038","","","0.71073","MoKα","","0.1417","0.0524","","","0.0643","0.0737","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508673","11.2385","0.0011","13.7508","0.0014","11.8921","0.0012","90","","95.111","0.001","90","","1830.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Jiang, Bo; Li, Qiu-Yun; Tu, Shu-Jiang; Li, Guigen","Three-component domino reactions for selective formation of indeno[1,2-b]indole derivatives.","Organic letters","2012","14","20","5210","5213","10.1021/ol3023038","","","0.71073","MoKα","","0.1216","0.0551","","","0.124","0.1618","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508674","14.6566","0.0015","15.3994","0.0017","21.545","0.002","90","","94.645","0.001","90","","4846.8","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H25.5 F N2 O4.5 -","- C28 H25.5 F N2 O4.5 -","- C224 H204 F8 N16 O36 -","8","1","","Jiang, Bo; Li, Qiu-Yun; Tu, Shu-Jiang; Li, Guigen","Three-component domino reactions for selective formation of indeno[1,2-b]indole derivatives.","Organic letters","2012","14","20","5210","5213","10.1021/ol3023038","","","0.71073","MoKα","","0.1535","0.0576","","","0.0807","0.0946","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508675","9.6216","0.001","11.7391","0.0012","12.5857","0.0014","70.506","0.002","75.876","0.002","75.746","0.002","1278.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N O5 S -","- C30 H27 N O5 S -","- C60 H54 N2 O10 S2 -","2","1","","Hu, Jian; Tian, Bing; Wu, Xinyan; Tong, Xiaofeng","Tertiary amine-triggered cascade S(N)2/cycloaddition: an efficient construction of complex azaheterocycles under mild conditions.","Organic letters","2012","14","19","5074","5077","10.1021/ol302329b","","","0.71073","MoKα","","0.0541","0.0467","","","0.1265","0.1325","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508676","13.339","0.003","18.975","0.004","6.8571","0.0015","90","","90","","90","","1735.6","0.7","113","2","113","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H19 B F2 N4 O -","- C19 H19 B F2 N4 O -","- C76 H76 B4 F8 N16 O4 -","4","1","","Wu, Yun-Ying; Chen, Yong; Gou, Gao-Zhang; Mu, Wei-Hua; Lv, Xiao-Jun; Du, Mei-Ling; Fu, Wen-Fu","Large Stokes shift induced by intramolcular charge transfer in N,O-chelated naphthyridine-BF2 complexes.","Organic letters","2012","14","20","5226","5229","10.1021/ol302347m","","","0.71073","MoKα","","0.074","0.0492","","","0.1006","0.1248","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508677","10.873","0.003","14.773","0.004","11.623","0.003","90","","92.752","0.004","90","","1864.8","0.9","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F8 N4 O -","- C19 H13 B F8 N4 O -","- C76 H52 B4 F32 N16 O4 -","4","1","","Wu, Yun-Ying; Chen, Yong; Gou, Gao-Zhang; Mu, Wei-Hua; Lv, Xiao-Jun; Du, Mei-Ling; Fu, Wen-Fu","Large Stokes shift induced by intramolcular charge transfer in N,O-chelated naphthyridine-BF2 complexes.","Organic letters","2012","14","20","5226","5229","10.1021/ol302347m","","","0.71073","MoKα","","0.0595","0.042","","","0.092","0.1009","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508678","18.636","0.004","10.788","0.002","15.333","0.003","90","","94.98","0.03","90","","3071","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 B F2 N3 O -","- C17 H14 B F2 N3 O -","- C136 H112 B8 F16 N24 O8 -","8","1","","Wu, Yun-Ying; Chen, Yong; Gou, Gao-Zhang; Mu, Wei-Hua; Lv, Xiao-Jun; Du, Mei-Ling; Fu, Wen-Fu","Large Stokes shift induced by intramolcular charge transfer in N,O-chelated naphthyridine-BF2 complexes.","Organic letters","2012","14","20","5226","5229","10.1021/ol302347m","","","0.71073","MoKα","","0.0461","0.0387","","","0.1081","0.1145","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508679","25.865","0.005","7.4047","0.0015","15.416","0.003","90","","97.89","0.03","90","","2924.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N3 O1.5 -","- C17 H16 N3 O1.5 -","- C136 H128 N24 O12 -","8","1","","Wu, Yun-Ying; Chen, Yong; Gou, Gao-Zhang; Mu, Wei-Hua; Lv, Xiao-Jun; Du, Mei-Ling; Fu, Wen-Fu","Large Stokes shift induced by intramolcular charge transfer in N,O-chelated naphthyridine-BF2 complexes.","Organic letters","2012","14","20","5226","5229","10.1021/ol302347m","","","0.71073","MoKα","","0.0916","0.0421","","","0.1072","0.1337","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508680","23.4787","0.0018","6.9212","0.0006","16.9815","0.0012","90","","107.401","0.003","90","","2633.2","0.4","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N2 O0.5 -","- C18 H15 N2 O0.5 -","- C144 H120 N16 O4 -","8","1","","Ammermann, Sven; Hrib, Christian; Jones, Peter G.; du Mont, Wolf-Walther; Kowalsky, Wolfgang; Johannes, Hans-Hermann","Pyrrolo[1,2-a]quinoxalines: novel synthesis via annulation of 2-alkylquinoxalines.","Organic letters","2012","14","19","5090","5093","10.1021/ol302348v","","","0.71073","MoKα","","0.0692","0.0447","","","0.1181","0.1323","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508681","8.3778","0.0004","11.2485","0.0006","15.3805","0.0008","90","","103.626","0.003","90","","1408.63","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","1","","Ammermann, Sven; Hrib, Christian; Jones, Peter G.; du Mont, Wolf-Walther; Kowalsky, Wolfgang; Johannes, Hans-Hermann","Pyrrolo[1,2-a]quinoxalines: novel synthesis via annulation of 2-alkylquinoxalines.","Organic letters","2012","14","19","5090","5093","10.1021/ol302348v","","","0.71073","MoKα","","0.0459","0.0407","","","0.1134","0.119","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508682","11.0306","0.0006","3.906","0.0002","26.505","0.002","90","","91.877","0.004","90","","1141.37","0.12","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Br N O -","- C15 H8 Br N O -","- C60 H32 Br4 N4 O4 -","4","1","","Choi, Young Lok; Lim, Hye Sun; Lim, Hwan Jung; Heo, Jung-Nyoung","One-pot transition-metal-free synthesis of dibenzo[b,f]oxepins from 2-halobenzaldehydes.","Organic letters","2012","14","19","5102","5105","10.1021/ol302371s","","","0.71073","MoKα","","0.0472","0.0379","","","0.0835","0.0876","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508683","9.3","0.04","18.67","0.08","19.8","0.04","90","","90","","90","","3438","2","239.05","0.1","239.05","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","1","","Yang, Ming; Wang, Lin; He, Zheng-He; Wang, Shao-Hua; Zhang, Shu-Yu; Tu, Yong-Qiang; Zhang, Fu-Min","Tandem semipinacol-type 1,2-carbon migration/aldol reaction toward the construction of [5-6-7] all-carbon tricyclic core of Calyciphylline A-type alkaloids.","Organic letters","2012","14","19","5114","5117","10.1021/ol302386g","","","0.7107","MoKα","","0.0839","0.0562","","","0.1334","0.153","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508684","8.404","0.006","12.59","0.009","12.974","0.01","97.43","0.007","103.628","0.007","96.743","0.007","1307.2","1.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","2","","Yang, Ming; Wang, Lin; He, Zheng-He; Wang, Shao-Hua; Zhang, Shu-Yu; Tu, Yong-Qiang; Zhang, Fu-Min","Tandem semipinacol-type 1,2-carbon migration/aldol reaction toward the construction of [5-6-7] all-carbon tricyclic core of Calyciphylline A-type alkaloids.","Organic letters","2012","14","19","5114","5117","10.1021/ol302386g","","","0.71073","MoKα","","0.0824","0.0521","","","0.1281","0.147","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508685","7.2934","0.0005","10.8198","0.0007","26.137","0.0016","90","","91.847","0.002","90","","2061.5","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Br Cl N2 O5 S -","- C17 H24 Br Cl N2 O5 S -","- C68 H96 Br4 Cl4 N8 O20 S4 -","4","1","","Zhou, Jing; Zhou, Ling; Yeung, Ying-Yeung","Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives.","Organic letters","2012","14","20","5250","5253","10.1021/ol3024105","","","0.71073","MoKα","","0.1061","0.0672","","","0.1608","0.1778","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508686","11.4136","0.0011","11.557","0.0012","28.331","0.003","90","","90","","90","","3737.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Cl N2 O5 S -","- C17 H23 Cl N2 O5 S -","- C136 H184 Cl8 N16 O40 S8 -","8","1","","Zhou, Jing; Zhou, Ling; Yeung, Ying-Yeung","Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives.","Organic letters","2012","14","20","5250","5253","10.1021/ol3024105","","","0.71073","MoKα","","0.0503","0.0418","","","0.1005","0.1052","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508687","33.128","0.004","11.5838","0.0013","10.9008","0.0012","90","","106.391","0.002","90","","4013.2","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 Cl N2 O7 S -","- C18 H23 Cl N2 O7 S -","- C144 H184 Cl8 N16 O56 S8 -","8","1","","Zhou, Jing; Zhou, Ling; Yeung, Ying-Yeung","Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives.","Organic letters","2012","14","20","5250","5253","10.1021/ol3024105","","","0.71073","MoKα","","0.055","0.0455","","","0.1162","0.1276","","","","","","1.125","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508688","10.8909","0.0003","13.7047","0.0004","34.1253","0.0009","90","","90","","90","","5093.4","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 O12 -","- C30 H34 O6 -","- C240 H272 O48 -","8","2","","Shao, Meng; Wang, Ying; Jian, Yu-Qing; Huang, Xiao-Jun; Zhang, Dong-Mei; Tang, Qing-Fa; Jiang, Ren-Wang; Sun, Xue-Gang; Lv, Zhi-Ping; Zhang, Xiao-Qi; Ye, Wen-Cai","Guadial A and psiguadials C and D, three unusual meroterpenoids from Psidium guajava.","Organic letters","2012","14","20","5262","5265","10.1021/ol302423b","","","1.54184","CuKα","","0.0397","0.0355","","","0.0909","0.0942","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508689","9.2006","0.0012","19.587","0.002","11.9092","0.0015","90","","104.475","0.004","90","","2078.1","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 N3 O -","- C30 H19 N3 O -","- C120 H76 N12 O4 -","4","1","","Hao, Wen-Juan; Xu, Xiao-Ping; Bai, Hui-Wen; Wang, Shun-Yi; Ji, Shun-Jun","Efficient multicomponent strategy to pentacyclic pyrazole-fused naphtho[1,8-fg]isoquinolines through cleavage of two carbon-carbon bonds.","Organic letters","2012","14","18","4894","4897","10.1021/ol302452j","","","0.71075","MoKα","","0.1243","0.0789","","","0.1328","0.1517","","","","","","1.16","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508690","14.9959","0.0002","7.1013","0.0001","18.0983","0.0004","90","","113.682","0.0007","90","","1765","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 Cl N2 O4 -","- C17 H21 Cl N2 O4 -","- C68 H84 Cl4 N8 O16 -","4","2","","Barber, David M.; Sanganee, Hitesh J.; Dixon, Darren J.","One-pot catalytic enantioselective synthesis of tetrahydropyridines via a nitro-Mannich/hydroamination cascade.","Organic letters","2012","14","20","5290","5293","10.1021/ol302459c","","","0.71073","MoKα","","0.0554","0.0379","","0.0931","0.0779","0.0931","","","","","","0.9095","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508691","12.5953","0.0011","6.309","0.0005","12.71","0.001","90","","110.532","0.003","90","","945.83","0.14","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C40 H54 N2 O8 -","2","1","","Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro","Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.","Organic letters","2012","14","20","5298","5301","10.1021/ol3024677","","","0.71075","MoKα","","","0.0338","","","","0.1096","","","","","","0.868","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508692","25.422","0.005","6.1383","0.0013","12.182","0.003","90","","98.781","0.005","90","","1878.7","0.7","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H24 Br N O4 -","- C19 H24 Br N O4 -","- C76 H96 Br4 N4 O16 -","4","1","","Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro","Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.","Organic letters","2012","14","20","5298","5301","10.1021/ol3024677","","","0.71075","MoKα","","","0.0642","","","","0.1677","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508693","24.942","0.0005","6.13836","0.00011","12.4356","0.0003","90","","97.4055","0.0009","90","","1888.05","0.07","123","","123","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","","Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro","Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.","Organic letters","2012","14","20","5298","5301","10.1021/ol3024677","","","1.54187","CuKα","","","0.0397","","","","0.1066","","","","","","1.114","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508694","10.2747","0.0005","12.2094","0.0006","10.319","0.0005","90","","111.243","0.003","90","","1206.54","0.1","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 N3 O9 -","- C23 H29 N3 O9 -","- C46 H58 N6 O18 -","2","1","","Mukaeda, Yuki; Kato, Takuya; Hosokawa, Seijiro","Syn-selective Kobayashi aldol reaction using the E,E-vinylketene silyl N,O-acetal.","Organic letters","2012","14","20","5298","5301","10.1021/ol3024677","","","1.54187","CuKα","","","0.0696","","","","0.1492","","","","","","0.949","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508695","5.7572","0.0001","11.6775","0.0002","19.3379","0.0004","90","","90","","90","","1300.08","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","","Yang, Xiao-Yan; Feng, Tao; Li, Zheng-Hui; Sheng, Yu; Yin, Xia; Leng, Ying; Liu, Ji-Kai","Conosilane A, an unprecedented sesquiterpene from the cultures of basidiomycete Conocybe siliginea.","Organic letters","2012","14","20","5382","5384","10.1021/ol302468a","","","1.54178","CuKα","","0.0357","0.0357","","","0.1106","0.1108","","","","","","1.165","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508696","8.0748","0.0006","15.1323","0.0012","29.19","0.002","98.815","0.005","92.189","0.005","105.25","0.004","3388.9","0.4","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C20 H31 Br N2 O5 -","- C20 H31 Br N2 O5 -","- C120 H186 Br6 N12 O30 -","6","6","","Goldberg, Alexander F. G.; O'Connor, Nicholas R; Craig, 2nd, Robert A; Stoltz, Brian M.","Lewis acid mediated (3 + 2) cycloadditions of donor-acceptor cyclopropanes with heterocumulenes.","Organic letters","2012","14","20","5314","5317","10.1021/ol302494n","","","0.71073","MoKα","","0.0741","0.0565","","","0.1131","0.1152","","","","","","1.641","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508697","14.5982","0.001","16.162","0.0012","8.2014","0.0006","90","","92.145","0.004","90","","1933.7","0.2","100","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O4 S -","- C20 H25 N O4 S -","- C80 H100 N4 O16 S4 -","4","1","","Goldberg, Alexander F. G.; O'Connor, Nicholas R; Craig, 2nd, Robert A; Stoltz, Brian M.","Lewis acid mediated (3 + 2) cycloadditions of donor-acceptor cyclopropanes with heterocumulenes.","Organic letters","2012","14","20","5314","5317","10.1021/ol302494n","","","0.71073","MOKα","","0.1034","0.0592","","","0.1221","0.1431","","","","","","1.061","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508698","8.5917","0.0009","14.176","0.0015","11.4969","0.0012","90","","97.865","0.002","90","","1387.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 N O3 -","- C13 H24 N O3 -","- C52 H96 N4 O12 -","4","1","","Paletta, Joseph T.; Pink, Maren; Foley, Bridget; Rajca, Suchada; Rajca, Andrzej","Synthesis and reduction kinetics of sterically shielded pyrrolidine nitroxides.","Organic letters","2012","14","20","5322","5325","10.1021/ol302506f","","","0.41328","synchrotron","","0.0674","0.0465","","","0.142","0.1659","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508699","8.025","0.0004","9.9052","0.0005","8.9614","0.0004","90","","92.41","0.001","90","","711.7","0.06","150","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C30 H46 N2 O6 -","2","0.5","","Paletta, Joseph T.; Pink, Maren; Foley, Bridget; Rajca, Suchada; Rajca, Andrzej","Synthesis and reduction kinetics of sterically shielded pyrrolidine nitroxides.","Organic letters","2012","14","20","5322","5325","10.1021/ol302506f","","","0.41238","synchrotron","","0.106","0.0963","","0.2912","0.2519","0.2618","","","","","","1.0709","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508700","11.5624","0.0012","11.0144","0.0011","10.9255","0.0011","90","","104.417","0.002","90","","1347.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N O2 -","- C15 H24 N O2 -","- C60 H96 N4 O8 -","4","1","","Paletta, Joseph T.; Pink, Maren; Foley, Bridget; Rajca, Suchada; Rajca, Andrzej","Synthesis and reduction kinetics of sterically shielded pyrrolidine nitroxides.","Organic letters","2012","14","20","5322","5325","10.1021/ol302506f","","","0.71073","MoKα","","0.0509","0.0389","","","0.0989","0.1065","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508701","10.1217","0.0002","5.2676","0.0001","25.2607","0.0005","90","","98.691","0.001","90","","1331.36","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C52 H72 N8 O12 S4 -","4","1","","Lu, Hongjian; Hu, Yang; Jiang, Huiling; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective radical amination of electron-deficient C(sp3)-H bonds by Co(II)-based metalloradical catalysis: direct synthesis of α-amino acid derivatives via α-C-H amination.","Organic letters","2012","14","19","5158","5161","10.1021/ol302511f","","","1.54178","CuKα","","0.0414","0.0364","","","0.0941","0.0969","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508702","5.099","0.0002","15.0874","0.0007","20.8353","0.001","90","","96.234","0.003","90","","1593.39","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O3 S -","- C16 H22 N2 O3 S -","- C64 H88 N8 O12 S4 -","4","1","","Lu, Hongjian; Hu, Yang; Jiang, Huiling; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective radical amination of electron-deficient C(sp3)-H bonds by Co(II)-based metalloradical catalysis: direct synthesis of α-amino acid derivatives via α-C-H amination.","Organic letters","2012","14","19","5158","5161","10.1021/ol302511f","","","1.54178","CuKα","","0.0664","0.0461","","","0.1119","0.1239","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508703","10.5533","0.0002","14.5967","0.0002","10.1764","0.0002","90","","96.78","0.001","90","","1556.64","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O3 S -","- C16 H22 N2 O3 S -","- C64 H88 N8 O12 S4 -","4","1","","Lu, Hongjian; Hu, Yang; Jiang, Huiling; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective radical amination of electron-deficient C(sp3)-H bonds by Co(II)-based metalloradical catalysis: direct synthesis of α-amino acid derivatives via α-C-H amination.","Organic letters","2012","14","19","5158","5161","10.1021/ol302511f","","","1.54178","CuKα","","0.0404","0.0351","","","0.0904","0.0941","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508704","7.7423","0.0018","11.828","0.003","12.677","0.003","73.699","0.007","86.956","0.007","83.755","0.007","1107.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","TIPS-Bpin-BDF","TIPS-Bpin-BDF","","- C40 H68 B2 O6 Si2 -","- C40 H68 B2 O6 Si2 -","- C40 H68 B2 O6 Si2 -","1","0.5","","Nakano, Masahiro; Shinamura, Shoji; Sugimoto, Ryusuke; Osaka, Itaru; Miyazaki, Eigo; Takimiya, Kazuo","Borylation on benzo[1,2-b:4,5-b']- and naphtho[1,2-b:5,6-b']dichalcogenophenes: different chalcogene atom effects on borylation reaction depending on fused ring structure.","Organic letters","2012","14","21","5448","5451","10.1021/ol302521d","","","0.71075","MoKα","","0.0654","0.0561","","","0.1826","0.1902","","","","","","1.194","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508705","12.3238","0.0009","13.3375","0.0007","14.9419","0.0011","90","","113.697","0.001","90","","2248.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","TIPS-Bpin-BDT","TIPS-Bpin-BDT","","- C40 H68 B2 O4 S2 Si2 -","- C40 H68 B2 O4 S2 Si2 -","- C80 H136 B4 O8 S4 Si4 -","2","1","","Nakano, Masahiro; Shinamura, Shoji; Sugimoto, Ryusuke; Osaka, Itaru; Miyazaki, Eigo; Takimiya, Kazuo","Borylation on benzo[1,2-b:4,5-b']- and naphtho[1,2-b:5,6-b']dichalcogenophenes: different chalcogene atom effects on borylation reaction depending on fused ring structure.","Organic letters","2012","14","21","5448","5451","10.1021/ol302521d","","","0.7107","MoKα","","0.0679","0.0617","","","0.1633","0.1703","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508706","12.433","0.008","13.331","0.008","14.725","0.01","90","","113.371","0.002","90","","2240","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TIPS-Bpin-BDS","TIPS-Bpin-BDS","","- C40 H68 B2 O4 Se2 Si2 -","- C40 H68 B2 O4 Se2 Si2 -","- C80 H136 B4 O8 Se4 Si4 -","2","0.5","","Nakano, Masahiro; Shinamura, Shoji; Sugimoto, Ryusuke; Osaka, Itaru; Miyazaki, Eigo; Takimiya, Kazuo","Borylation on benzo[1,2-b:4,5-b']- and naphtho[1,2-b:5,6-b']dichalcogenophenes: different chalcogene atom effects on borylation reaction depending on fused ring structure.","Organic letters","2012","14","21","5448","5451","10.1021/ol302521d","","","0.7107","MoKα","","0.0724","0.0644","","","0.1864","0.1974","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508707","11.5309","0.0016","8.303","0.0012","27.839","0.004","90","","98.03","0.002","90","","2639.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N2 O4 S -","- C28 H30 N2 O4 S -","- C112 H120 N8 O16 S4 -","4","1","","Li, Guifei; Ding, Zhengwei; Xu, Bin","Rhodium-catalyzed oxidative annulation of sulfonylhydrazones with alkenes.","Organic letters","2012","14","20","5338","5341","10.1021/ol302522n","","","0.71073","MoKα","","0.1214","0.0812","","","0.224","0.2512","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508708","8.6017","0.001","8.8242","0.0011","21.789","0.003","90","","90","","90","","1653.9","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C72 H72 O20 S4 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.1206","0.0748","","","0.1716","0.1999","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508709","8.548","0.0004","8.7031","0.0005","21.6417","0.0011","90","","90","","90","","1610.01","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C72 H72 O20 S4 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.051","0.0471","","","0.1016","0.1036","","","","","","1.131","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508710","8.5503","0.0002","8.7108","0.0002","21.6531","0.0005","90","","90","","90","","1612.72","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C72 H72 O20 S4 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.0542","0.0385","","","0.0909","0.0979","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508711","8.6054","0.0014","8.8177","0.0014","21.769","0.003","90","","90","","90","","1651.8","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C72 H72 O20 S4 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.0825","0.0622","","","0.1663","0.1854","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508712","10.7107","0.0012","8.0875","0.0009","19.702","0.002","90","","101.638","0.002","90","","1671.6","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.0824","0.0621","","","0.1616","0.1796","","","","","","1.114","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508713","10.4767","0.0016","14.011","0.002","20.104","0.004","103.149","0.003","94.146","0.003","109.798","0.002","2667.7","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H52 Cl2 N4 O8 -","- C61 H52 Cl2 N4 O8 -","- C122 H104 Cl4 N8 O16 -","2","1","","Sun, Jing; Sun, Yan; Gong, Hui; Xie, Ya-Jing; Yan, Chao-Guo","Facile synthesis of dispirooxindole-fused heterocycles via domino 1,4-dipolar addition and Diels-Alder reaction of in situ generated Huisgen 1,4-dipoles.","Organic letters","2012","14","20","5172","5175","10.1021/ol302530m","","","0.71073","MoKα","","0.1186","0.0602","","","0.1663","0.2051","","","","","","1.088","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508714","10.4418","0.0018","14.56","0.003","20.248","0.005","103.886","0.003","92.639","0.003","110.608","0.002","2768.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H50 Cl4 N4 O8 -","- C61 H50 Cl4 N4 O8 -","- C122 H100 Cl8 N8 O16 -","2","1","","Sun, Jing; Sun, Yan; Gong, Hui; Xie, Ya-Jing; Yan, Chao-Guo","Facile synthesis of dispirooxindole-fused heterocycles via domino 1,4-dipolar addition and Diels-Alder reaction of in situ generated Huisgen 1,4-dipoles.","Organic letters","2012","14","20","5172","5175","10.1021/ol302530m","","","0.71073","MoKα","","0.1415","0.0809","","","0.24","0.2911","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508715","7.611","0.003","9.414","0.003","30.428","0.01","90","","94.599","0.005","90","","2173.1","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl N3 O3 -","- C24 H22 Cl N3 O3 -","- C96 H88 Cl4 N12 O12 -","4","1","","Sun, Jing; Sun, Yan; Gong, Hui; Xie, Ya-Jing; Yan, Chao-Guo","Facile synthesis of dispirooxindole-fused heterocycles via domino 1,4-dipolar addition and Diels-Alder reaction of in situ generated Huisgen 1,4-dipoles.","Organic letters","2012","14","20","5172","5175","10.1021/ol302530m","","","0.71073","MoKα","","0.1206","0.0967","","","0.3064","0.3196","","","","","","1.142","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508716","10.5885","0.0016","12.3008","0.0019","13.451","0.002","112.414","0.002","100.134","0.002","98.715","0.002","1547.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Cl N2 O6 -","- C35 H29 Cl N2 O6 -","- C70 H58 Cl2 N4 O12 -","2","1","","Sun, Jing; Sun, Yan; Gong, Hui; Xie, Ya-Jing; Yan, Chao-Guo","Facile synthesis of dispirooxindole-fused heterocycles via domino 1,4-dipolar addition and Diels-Alder reaction of in situ generated Huisgen 1,4-dipoles.","Organic letters","2012","14","20","5172","5175","10.1021/ol302530m","","","0.71073","MoKα","","0.0779","0.0455","","","0.1097","0.1347","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508717","12.882","0.009","13.095","0.009","18.933","0.013","90","","99.562","0.013","90","","3149","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 Cl N2 O6 -","- C36 H31 Cl N2 O6 -","- C144 H124 Cl4 N8 O24 -","4","1","","Sun, Jing; Sun, Yan; Gong, Hui; Xie, Ya-Jing; Yan, Chao-Guo","Facile synthesis of dispirooxindole-fused heterocycles via domino 1,4-dipolar addition and Diels-Alder reaction of in situ generated Huisgen 1,4-dipoles.","Organic letters","2012","14","20","5172","5175","10.1021/ol302530m","","","0.71073","MoKα","","0.0953","0.0569","","","0.1212","0.1425","","","","","","1.072","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508718","6.9403","0.0002","14.831","0.0003","24.1141","0.0006","90","","90","","90","","2482.1","0.11","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N4 O9 -","- C23 H30 N4 O9 -","- C92 H120 N16 O36 -","4","1","","Asai, Teigo; Morita, Shuntaro; Shirata, Naoki; Taniguchi, Tohru; Monde, Kenji; Sakurai, Hiroaki; Ozeki, Tomoji; Oshima, Yoshiteru","Structural diversity of new C13-polyketides produced by Chaetomium mollipilium cultivated in the presence of a NAD(+)-dependent histone deacetylase inhibitor.","Organic letters","2012","14","21","5456","5459","10.1021/ol302539s","","","1.54186","CuKα","","0.0518","0.0502","","","0.1521","0.1541","","","","","","1.171","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508719","10.3589","0.0002","30.3196","0.0005","11.4539","0.0002","90","","115.063","0.0007","90","","3258.69","0.1","150","","150","","","","","","","","syn","5","P 1 21/c 1","-P 2ybc","14","","(2S,3S,4S)-tert-butyl 3-allyl-2-(((tert-butyldiphenylsilyl)oxy)methyl)-3-hydroxy-2-((methoxymethoxy)methyl)-4-methylpyrrolidine-1-carboxylate","","- C33 H49 N O6 Si -","- C33 H49 N O6 Si -","- C132 H196 N4 O24 Si4 -","4","1","","Donohoe, Timothy J.; O'Riordan, Timothy J C; Peifer, Manuel; Jones, Christopher R.; Miles, Timothy J.","Asymmetric synthesis of the fully elaborated pyrrolidinone core of oxazolomycin A.","Organic letters","2012","14","21","5460","5463","10.1021/ol302541j","","","0.71073","MoKα","","0.0983","0.0509","","0.1214","0.1035","0.1214","","","","","","0.911","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508720","9.5047","0.0001","13.4605","0.0002","24.465","0.0004","90","","90","","90","","3130","0.08","150","","150","","","","","","","","syn","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 N O8 Si -","- C31 H43 N O8 Si -","- C124 H172 N4 O32 Si4 -","4","1","","Donohoe, Timothy J.; O'Riordan, Timothy J C; Peifer, Manuel; Jones, Christopher R.; Miles, Timothy J.","Asymmetric synthesis of the fully elaborated pyrrolidinone core of oxazolomycin A.","Organic letters","2012","14","21","5460","5463","10.1021/ol302541j","","","0.71073","MoKα","","0.0557","0.0516","","0.1453","0.1425","0.1453","","","","","","1.0441","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508721","10.2052","0.0006","18.7686","0.0009","16.2613","0.0007","90","","101.595","0.002","90","","3051.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 O6 S2 -","- C30 H38 N2 O6 S2 -","- C120 H152 N8 O24 S8 -","4","1","","Gharpure, Santosh J.; Niranjana, P.; Porwal, Suheel K.","Stereoselective synthesis of oxa- and aza-angular triquinanes using tandem radical cyclization to vinylogous carbonates and carbamates.","Organic letters","2012","14","21","5476","5479","10.1021/ol302557a","","","0.71073","MoKα","","0.1252","0.0561","","","0.135","0.1701","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508722","10.086","0.005","13.642","0.005","12.796","0.005","90","0.005","108.816","0.005","90","0.005","1666.6","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Gharpure, Santosh J.; Niranjana, P.; Porwal, Suheel K.","Stereoselective synthesis of oxa- and aza-angular triquinanes using tandem radical cyclization to vinylogous carbonates and carbamates.","Organic letters","2012","14","21","5476","5479","10.1021/ol302557a","","","0.71073","MoKα","","0.0541","0.0375","","","0.098","0.1091","","","","","","1.016","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508723","11.4677","0.0004","14.2273","0.0004","13.5877","0.0004","90","","92.996","0.001","90","","2213.86","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 N O5 S -","- C23 H31 N O5 S -","- C92 H124 N4 O20 S4 -","4","1","","Gharpure, Santosh J.; Niranjana, P.; Porwal, Suheel K.","Stereoselective synthesis of oxa- and aza-angular triquinanes using tandem radical cyclization to vinylogous carbonates and carbamates.","Organic letters","2012","14","21","5476","5479","10.1021/ol302557a","","","0.71073","MoKα","","0.0894","0.0501","","","0.134","0.1582","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508724","9.4749","0.0003","20.5466","0.0005","12.8261","0.0004","90","","104.295","0.001","90","","2419.63","0.12","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H31 N O5 S -","- C26 H31 N O5 S -","- C104 H124 N4 O20 S4 -","4","2","","Gharpure, Santosh J.; Niranjana, P.; Porwal, Suheel K.","Stereoselective synthesis of oxa- and aza-angular triquinanes using tandem radical cyclization to vinylogous carbonates and carbamates.","Organic letters","2012","14","21","5476","5479","10.1021/ol302557a","","","0.71073","MoKα","","0.056","0.0433","","","0.1233","0.1354","","","","","","0.976","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508725","7.2313","0.0012","21.911","0.004","14.668","0.002","90","","94.76","0.003","90","","2316.1","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H66 O10 Si2 -","- C44 H66 O10 Si2 -","- C88 H132 O20 Si4 -","2","1","","Feldman, Ken S.; Selfridge, Brandon R.","Enantioselective synthesis of the ent-lomaiviticin A bicyclic core.","Organic letters","2012","14","21","5484","5487","10.1021/ol302567f","","","0.71073","MoKα","","0.1048","0.0739","","","0.1864","0.2081","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508726","8.966","0.002","8.966","0.002","53.26","0.02","90","","90","","90","","4282","2","298","2","298","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C48 H54 O6 -","- C48 H54 O6 -","- C192 H216 O24 -","4","0.5","","Feldman, Ken S.; Selfridge, Brandon R.","Enantioselective synthesis of the ent-lomaiviticin A bicyclic core.","Organic letters","2012","14","21","5484","5487","10.1021/ol302567f","","","0.71073","MoKα","","0.2779","0.14","","","0.3556","0.4275","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508727","12.7844","0.0006","12.8542","0.0005","11.9648","0.0006","90","","92.052","0.005","90","","1964.95","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O5 -","- C25 H16 N2 O5 -","- C100 H64 N8 O20 -","4","1","","Samanta, Rajarshi; Bauer, Jonathan O.; Strohmann, Carsten; Antonchick, Andrey P.","Organocatalytic, oxidative, intermolecular amination and hydrazination of simple arenes at ambient temperature.","Organic letters","2012","14","21","5518","5521","10.1021/ol302607y","","","0.71073","MoKα","","0.0645","0.0354","","","0.0631","0.0657","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508728","10.7653","0.0004","11.5943","0.0004","29.2492","0.001","90","","90","","90","","3650.8","0.2","103","2","103","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","2-Pyrazol-1-yl-1H-indole","","- C11 H9 N3 -","- C11 H9 N3 -","- C176 H144 N48 -","16","2","","Wu, Wen-Bin; Huang, Jing-Mei","Highly Regioselective C-N Bond Formation through C-H Azolation of Indoles Promoted by Iodine in Aqueous Media.","Organic letters","2012","14","23","5832","5835","10.1021/ol302609m","","","0.71073","MoKα","","0.0748","0.0603","","","0.1605","0.1725","","","","","","1.108","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508729","6.8519","0.0005","8.8049","0.0006","16.1947","0.0012","93.122","0.004","102.154","0.004","93.106","0.004","951.55","0.12","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","2","","Wu, Wen-Bin; Huang, Jing-Mei","Highly Regioselective C-N Bond Formation through C-H Azolation of Indoles Promoted by Iodine in Aqueous Media.","Organic letters","2012","14","23","5832","5835","10.1021/ol302609m","","","0.71073","MoKα","","0.1648","0.0617","","","0.1441","0.2075","","","","","","0.855","","","","has coordinates,has disorder","301775","2025-08-18","14:03:05",""
"1508730","6.9749","0.0003","8.2033","0.0004","8.5227","0.0004","88.458","0.002","73.953","0.002","87.824","0.002","468.24","0.04","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","1-Methyl-2-[1,2,4]triazol-1-yl-1H-indole","","- C11 H10 N4 -","- C11 H10 N4 -","- C22 H20 N8 -","2","1","","Wu, Wen-Bin; Huang, Jing-Mei","Highly Regioselective C-N Bond Formation through C-H Azolation of Indoles Promoted by Iodine in Aqueous Media.","Organic letters","2012","14","23","5832","5835","10.1021/ol302609m","","","0.71073","MoKα","","0.05","0.0439","","","0.1145","0.1215","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508731","7.4156","0.0005","8.8137","0.0006","13.4503","0.0009","90","","90","","90","","879.1","0.1","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-[1,2,3]Triazol-1-yl-1H-indole","","- C10 H8 N4 -","- C10 H8 N4 -","- C40 H32 N16 -","4","1","","Wu, Wen-Bin; Huang, Jing-Mei","Highly Regioselective C-N Bond Formation through C-H Azolation of Indoles Promoted by Iodine in Aqueous Media.","Organic letters","2012","14","23","5832","5835","10.1021/ol302609m","","","0.71073","MoKα","","0.0399","0.0368","","","0.0984","0.1007","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508732","14.0263","0.001","10.0105","0.0008","15.8497","0.0011","90","","107.79","0.002","90","","2119","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O2 -","- C25 H28 N2 O2 -","- C100 H112 N8 O8 -","4","1","","Zhu, Yan-ping; Jia, Feng-cheng; Liu, Mei-cai; Wu, Liu-ming; Cai, Qun; Gao, Yang; Wu, An-xin","I2-CF3SO3H synergistic promoted sp3 C-H bond diarylation of aromatic ketones.","Organic letters","2012","14","20","5378","5381","10.1021/ol302613q","","","0.71073","MoKα","","0.1358","0.074","","","0.1408","0.1596","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508733","15.6734","0.0004","6.13","0.0001","22.7367","0.0005","90","","97.0025","0.001","90","","2168.2","0.08","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N3 O3 -","- C26 H25 N3 O3 -","- C104 H100 N12 O12 -","4","2","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.0521","0.0321","","0.0682","0.0639","0.0682","","","","","","0.8192","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508734","37.1436","0.0006","10.5638","0.0002","24.1187","0.0003","90","","123.858","0.0008","90","","7858.8","0.2","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C384 H384 N32 O32 -","16","2","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.1116","0.0592","","0.1683","0.1343","0.1683","","","","","","0.9898","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508735","9.4094","0.0002","7.577","0.0001","16.8099","0.0004","90","","106.036","0.001","90","","1151.83","0.04","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","0.5","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.042","0.0369","","0.0995","0.0955","0.0995","","","","","","0.9953","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508736","15.3122","0.0004","15.6051","0.0004","6.1644","0.0001","90","","90","","90","","1472.97","0.06","200","","200","","","","","","","","local","4","P c a 21","P 2c -2ac","29","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.0429","0.0305","","0.0662","0.0635","0.0662","","","","","","0.8013","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508737","9.9709","0.0006","10.7612","0.0009","13.1112","0.0011","105.781","0.003","100.075","0.004","115.216","0.004","1154.44","0.17","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C28 H27 N3 O3 -","- C28 H27 N3 O3 -","- C56 H54 N6 O6 -","2","1","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.1054","0.0548","","0.1429","0.1199","0.1429","","","","","","0.9562","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508738","6.1903","0.0002","11.0001","0.0005","16.5975","0.0007","71.3193","0.0019","81.706","0.003","75.698","0.003","1034.85","0.07","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C22 H24 N2 O8 -","- C22 H24 N2 O8 -","- C44 H48 N4 O16 -","2","1","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.0871","0.0545","","0.1304","0.1163","0.1304","","","","","","1.0162","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508739","7.7343","0.0002","8.2695","0.0002","10.429","0.0003","90","","90","","90","","667.03","0.03","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.0352","0.0323","","0.0809","0.0796","0.0809","","","","","","1.0848","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508740","5.7141","0.001","13.121","0.002","18.59","0.003","90","","90","","90","","1393.8","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Jacobsen, Christian Borch; Albrecht, Łukasz; Udmark, Jonas; Jørgensen, Karl Anker","Enantioselective formation of substituted 3,4-dihydrocoumarins by a multicatalytic one-pot process.","Organic letters","2012","14","21","5526","5529","10.1021/ol302627u","","","0.71073","MoKα","","0.0172","0.0165","","","0.0401","0.0403","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508741","7.8632","0.0007","8.0168","0.0007","9.6863","0.0008","84.791","0.004","68.814","0.004","76.694","0.004","554.03","0.08","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O -","- C16 H12 O -","- C32 H24 O2 -","2","1","","Tsui, Gavin Chit; Tsoung, Jennifer; Dougan, Patrick; Lautens, Mark","One-pot synthesis of chiral dihydrobenzofuran framework via Rh/Pd catalysis.","Organic letters","2012","14","21","5542","5545","10.1021/ol302646a","","","1.54178","CuKα","","0.0361","0.035","","","0.0914","0.0924","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508742","23.468","0.002","11.7213","0.0013","16.4807","0.0018","90","","114.358","0.002","90","","4129.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 F4 N O4 -","- C24 H17 F4 N O4 -","- C192 H136 F32 N8 O32 -","8","1","","Xu, Tao; Liu, Guosheng","Ag(I)-catalyzed aminofluorination of alkynes: efficient synthesis of 4-fluoroisoquinolines and 4-fluoropyrrolo[α]isoquinolines.","Organic letters","2012","14","21","5416","5419","10.1021/ol3026507","","","0.71073","MoKα","","0.0708","0.0452","","","0.1095","0.1227","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508743","6.2528","0.0006","9.4257","0.0009","13.6643","0.0014","104.187","0.001","101.932","0.001","102.161","0.001","734.34","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","12099a","","","- C14 H23 N O5 -","- C14 H23 N O5 -","- C28 H46 N2 O10 -","2","1","","Deng, Jun; Hsung, Richard P.; Ko, Changhong","Gassman's cationic [2 + 2] cycloadditions using temporary tethers.","Organic letters","2012","14","21","5562","5565","10.1021/ol3026796","","","0.71073","MoKα","","0.0557","0.0422","","","0.1038","0.1126","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508744","8.0126","0.001","10.302","0.0013","21.98","0.003","90","","93.013","0.001","90","","1811.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","12168a","","","- C17 H28 N2 O6 -","- C17 H28 N2 O6 -","- C68 H112 N8 O24 -","4","1","","Deng, Jun; Hsung, Richard P.; Ko, Changhong","Gassman's cationic [2 + 2] cycloadditions using temporary tethers.","Organic letters","2012","14","21","5562","5565","10.1021/ol3026796","","","0.71073","MoKα","","0.074","0.045","","","0.1053","0.1213","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508745","10.5663","0.0007","10.9334","0.0007","11.1163","0.0008","90","","116.977","0.0007","90","","1144.48","0.13","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Lam, Jonathan K.; Schmidt, Yvonne; Vanderwal, Christopher D.","Complex polycyclic scaffolds by metathesis rearrangement of Himbert arene/allene cycloadducts.","Organic letters","2012","14","21","5566","5569","10.1021/ol302680m","","","0.71073","MoKα","","0.0398","0.0364","","","0.094","0.0969","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508746","8.1975","0.0006","34.482","0.003","8.9646","0.0007","90","","106.35","0.001","90","","2431.5","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 F3 N2 O6 -","- C27 H25 F3 N2 O6 -","- C108 H100 F12 N8 O24 -","4","1","","Liu, Xiaoxi; McCormack, Michael P.; Waters, Stephen P.","An aza-Prins cyclization approach to functionalized indolizidines from 2-allylpyrrolidines.","Organic letters","2012","14","21","5574","5577","10.1021/ol302693u","","","0.71073","MoKα","","0.0907","0.0555","","","0.1215","0.1383","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508747","9.4671","0.0015","11.5833","0.0019","13.909","0.002","104.931","0.002","103.435","0.002","103.977","0.002","1357.7","0.4","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H28 N2 O -","- C37 H28 N2 O -","- C74 H56 N4 O2 -","2","1","","Wang, Lu; Xie, Xin; Liu, Yuanhong","Facile Synthesis of Fully Substituted Dihydro-β-carbolines via Brønsted Acid Promoted Cascade Reactions of α-Indolyl Propargylic Alcohols with Nitrones.","Organic letters","2012","14","23","5848","5851","10.1021/ol302695p","","","0.71073","MoKα","","0.077","0.065","","","0.2116","0.2241","","","","","","1.108","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1508748","10.6049","0.0012","12.7109","0.0014","13.5229","0.0017","77.588","0.002","68.722","0.002","76.712","0.002","1635.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H34 N2 O3 -","- C41 H34 N2 O3 -","- C82 H68 N4 O6 -","2","1","","Wang, Lu; Xie, Xin; Liu, Yuanhong","Facile Synthesis of Fully Substituted Dihydro-β-carbolines via Brønsted Acid Promoted Cascade Reactions of α-Indolyl Propargylic Alcohols with Nitrones.","Organic letters","2012","14","23","5848","5851","10.1021/ol302695p","","","0.71073","MoKα","","0.0865","0.0534","","","0.1339","0.1544","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508749","11.0527","0.0009","18.2393","0.0014","11.3777","0.0009","90","","92.426","0.001","90","","2291.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","","Wang, Lu; Xie, Xin; Liu, Yuanhong","Facile Synthesis of Fully Substituted Dihydro-β-carbolines via Brønsted Acid Promoted Cascade Reactions of α-Indolyl Propargylic Alcohols with Nitrones.","Organic letters","2012","14","23","5848","5851","10.1021/ol302695p","","","0.71073","MoKα","","0.0485","0.0387","","","0.1021","0.109","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508750","10.868","0.002","11.564","0.002","11.8448","0.0019","67.173","0.012","68.081","0.012","79.23","0.014","1271.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N2 O6 S2 -","- C26 H28 N2 O6 S2 -","- C52 H56 N4 O12 S4 -","2","1","","Zhou, Rong; Wang, Jianfang; Duan, Chong; He, Zhengjie","Phosphine-Triggered Tandem Annulation between Morita-Baylis-Hillman Carbonates and Dinucleophiles: Facile Syntheses of Oxazepanes, Thiazepanes, and Diazepanes.","Organic letters","2012","14","24","6134","6137","10.1021/ol302696e","","","0.71073","MoKα","","0.0844","0.0479","","","0.0871","0.0965","","","","","","1.072","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508751","25.058","0.009","12.865","0.004","11.153","0.004","90","","109.43","0.04","90","","3391","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 N2 O8 S2 -","- C32 H44 N2 O8 S2 -","- C128 H176 N8 O32 S8 -","4","0.5","","Zhou, Rong; Wang, Jianfang; Duan, Chong; He, Zhengjie","Phosphine-Triggered Tandem Annulation between Morita-Baylis-Hillman Carbonates and Dinucleophiles: Facile Syntheses of Oxazepanes, Thiazepanes, and Diazepanes.","Organic letters","2012","14","24","6134","6137","10.1021/ol302696e","","","0.71073","MoKα","","0.0743","0.0569","","","0.1176","0.1259","","","","","","1.125","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508752","6.3189","0.0009","13.2585","0.0019","17.498","0.003","90","","90","","90","","1466","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C68 H92 N4 O12 -","4","1","","Wang, Xiao-Jing; Liu, Yun-Bao; Li, Li; Yu, Shi-Shan; Lv, Hai-Ning; Ma, Shuang-Gang; Bao, Xiu-Qi; Zhang, Dan; Qu, Jing; Li, Yong","Lycojaponicumins D and E: two new alkaloids from Lycopodium japonicum.","Organic letters","2012","14","22","5688","5691","10.1021/ol302701y","","","1.54186","CuKα","","0.0354","0.0344","","","0.0788","0.0795","","","","","","1.107","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508753","20.4027","0.0019","7.1468","0.0007","22.129","0.002","90","","90","","90","","3226.7","0.5","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C144 H168 N8 O24 S8 -","8","1","","Yuan, Wei; Dong, Xiang; Shi, Min; McDowell, Patrick; Li, Guigen","Rh(I)-catalyzed Pauson-Khand-type cycloaddition reaction of ene-vinylidenecyclopropanes with carbon monoxide (CO).","Organic letters","2012","14","21","5582","5585","10.1021/ol302705z","","","0.71073","MoKα","","0.0502","0.0403","","","0.1066","0.1141","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508754","9.784","","13.467","","16.619","","90","","90","","90","","2189.74","","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cl N O3 -","- C27 H24 Cl N O3 -","- C108 H96 Cl4 N4 O12 -","4","1","","Cassani, Carlo; Melchiorre, Paolo","Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.","Organic letters","2012","14","21","5590","5593","10.1021/ol302711w","","","0.71073","MoKα","","0.0525","0.0416","","","0.1008","0.107","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508755","26.891","0.004","6.5139","0.0009","13.524","0.002","90","","117.976","0.007","90","","2092.1","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H22 Cl N O3 -","- C26 H22.02 Cl N O3.01 -","- C104 H88.08 Cl4 N4 O12.04 -","4","1","","Cassani, Carlo; Melchiorre, Paolo","Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.","Organic letters","2012","14","21","5590","5593","10.1021/ol302711w","","","0.71073","MoKα","","0.0635","0.0441","","","0.1027","0.1092","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508756","6.952","0.0008","12.8684","0.0013","23.405","0.003","90","","90","","90","","2093.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl N O3 -","- C26 H20 Cl N O3 -","- C104 H80 Cl4 N4 O12 -","4","1","","Cassani, Carlo; Melchiorre, Paolo","Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.","Organic letters","2012","14","21","5590","5593","10.1021/ol302711w","","","0.71073","MoKα","","0.0442","0.0385","","","0.0976","0.1016","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508757","10.6855","0.0016","9.3798","0.0015","18.076","0.003","90","","99.839","0.005","90","","1785.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H43 N3 O5 Si -","- C39 H43 N3 O5 Si -","- C78 H86 N6 O10 Si2 -","2","1","","Cassani, Carlo; Melchiorre, Paolo","Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.","Organic letters","2012","14","21","5590","5593","10.1021/ol302711w","","","0.71073","MoKα","","0.0737","0.0539","","","0.1244","0.1394","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508758","9.3437","0.0017","10.538","0.002","11.5632","0.0015","105.416","0.015","94.821","0.013","114.063","0.019","978","0.4","100.05","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N4 S -","- C26 H17 N4 S -","- C52 H34 N8 S2 -","2","1","","Berezin, Andrey A.; Constantinides, Christos P.; Drouza, Chryssoula; Manoli, Maria; Koutentis, Panayiotis A.","From Blatter radical to 7-substituted 1,3-diphenyl-1,4-dihydrothiazolo[5',4':4,5]benzo[1,2-e][1,2,4]triazin-4-yls: toward multifunctional materials.","Organic letters","2012","14","21","5586","5589","10.1021/ol302714j","","","1.54184","CuKα","","0.0708","0.0558","","","0.1496","0.1723","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508759","20.5752","0.001","8.5637","0.0004","20.8927","0.001","90","","90.195","0.002","90","","3681.3","0.3","193","2","193","2","","","","","","","","5","C 1 2 1","C 2y","5","","(-)-4-Butyl-6-(naphthalen-2-yloxy)-2-(toluene-4-sulfonyl)-2,3,5,7a- tetrahydro-1H-isoindole-5-carboxylic acid naphthalen-2-yl ester","","- C43 H44 N O5 S -","- C43 H44 N O5 S -","- C172 H176 N4 O20 S4 -","4","1","","Miyauchi, Yuta; Noguchi, Keiichi; Tanaka, Ken","Rhodium-catalyzed one-pot intermolecular [2 + 2 + 2] trimerization/asymmetric intramolecular [4 + 2] cycloaddition of two aryl ethynyl ethers and 5-alkynals.","Organic letters","2012","14","23","5856","5859","10.1021/ol3027158","","","1.54187","CuKα","","0.1165","0.0739","","","0.1901","0.2468","","","","","","0.957","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508760","12.9308","0.0013","9.835","0.001","13.9957","0.0014","90","","97.501","0.001","90","","1764.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","12122a","","","- C21 H19 N O2 S -","- C21 H19 N O2 S -","- C84 H76 N4 O8 S4 -","4","1","","Ma, Zhi-Xiong; He, Shuzhong; Song, Wangze; Hsung, Richard P.","α-Aryl-substituted allenamides in an imino-Nazarov cyclization cascade catalyzed by Au(I).","Organic letters","2012","14","22","5736","5739","10.1021/ol302743k","","","0.71073","MoKα","","0.0449","0.0374","","","0.0985","0.1047","","","","","","1.036","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508761","7.5367","0.0008","11.351","0.0012","11.879","0.0012","70.952","0.001","85.663","0.001","81.889","0.001","950.51","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","12123a","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C42 H50 N2 O6 S2 -","2","1","","Ma, Zhi-Xiong; He, Shuzhong; Song, Wangze; Hsung, Richard P.","α-Aryl-substituted allenamides in an imino-Nazarov cyclization cascade catalyzed by Au(I).","Organic letters","2012","14","22","5736","5739","10.1021/ol302743k","","","0.71073","MoKα","","0.0525","0.0416","","","0.1068","0.115","","","","","","1.048","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508762","8.2477","0.0009","15.824","0.002","16.2391","0.0017","90","","94.938","0.005","90","","2111.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C96 H96 N8 O24 -","4","0.5","","Ghosh, Santanu; De, Subhadip; Kakde, Badrinath N.; Bhunia, Subhajit; Adhikary, Amit; Bisai, Alakesh","Intramolecular Dehydrogenative Coupling of sp(2) C-H and sp(3) C-H Bonds: An Expeditious Route to 2-Oxindoles.","Organic letters","2012","14","23","5864","5867","10.1021/ol302767w","","","0.71073","MoKα","","0.0629","0.0525","","","0.1933","0.2203","","","","","","0.938","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508763","10.215","0.0002","13.971","0.0003","10.5413","0.0002","90","","94.929","0.001","90","","1498.83","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 Cl N3 O5 S -","- C11 H20 Cl N3 O5 S -","- C44 H80 Cl4 N12 O20 S4 -","4","1","","Brant, Michael G.; Wulff, Jeremy E.","A rigid bicyclic platform for the generation of conformationally locked neuraminidase inhibitors.","Organic letters","2012","14","23","5876","5879","10.1021/ol3027939","","","1.54178","CuKα","","0.0458","0.0392","","","0.1021","0.1073","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508764","25.936","0.01","11.367","0.004","12.416","0.005","90","","112.285","0.005","90","","3387","2","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H45 N O7 Si -","- C34 H45 N O7 Si -","- C136 H180 N4 O28 Si4 -","4","1","","Harada, Masaya; Asaba, Ken Nunettsu; Iwai, Masumi; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric total synthesis of an iboga-type indole alkaloid, voacangalactone, newly isolated from Voacanga africana.","Organic letters","2012","14","22","5800","5803","10.1021/ol3027945","","","0.71073","MoKα","","0.3213","0.0879","","","0.1731","0.301","","","","","","0.904","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508765","9.631","0.007","10.862","0.007","18.269","0.012","94.065","0.014","97.194","0.01","90.221","0.012","1891","2","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 O3 S -","- C23 H20 O3 S -","- C92 H80 O12 S4 -","4","2","","Nishi, Mitsumi; Kuninobu, Yoichiro; Takai, Kazuhiko","Rhenium-Catalyzed Regio- and Stereoselective Synthesis of γ-Thio-α,β-unsaturated Ketones via Insertion of Terminal Alkynes into the C-S Bond.","Organic letters","2012","14","23","6116","6118","10.1021/ol302810u","","","0.71075","MoKα","","","0.1153","","","","0.3099","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508766","10.866","0.01","17.721","0.014","11.11","0.01","90","","119.15","0.012","90","","1868","3","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O S -","- C23 H20 O S -","- C92 H80 O4 S4 -","4","1","","Nishi, Mitsumi; Kuninobu, Yoichiro; Takai, Kazuhiko","Rhenium-Catalyzed Regio- and Stereoselective Synthesis of γ-Thio-α,β-unsaturated Ketones via Insertion of Terminal Alkynes into the C-S Bond.","Organic letters","2012","14","23","6116","6118","10.1021/ol302810u","","","0.71075","MoKα","","","0.0905","","","","0.2644","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508767","12.256","0.005","24.002","0.01","13.896","0.006","90","","92.602","0.008","90","","4084","3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 B Br N O5 -","- C18 H23 B Br N O5 -","- C144 H184 B8 Br8 N8 O40 -","8","4","","Zhao, Lei; Ma, Yudao; Duan, Wenzeng; He, Fuyan; Chen, Jianqiang; Song, Chun","Asymmetric β-boration of α,β-unsaturated N-acyloxazolidinones by [2.2]paracyclophane-based bifunctional catalyst.","Organic letters","2012","14","22","5780","5783","10.1021/ol302839d","","","0.71073","MoKα","","0.0939","0.0453","","","0.0868","0.1015","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508768","13.3142","0.0002","16.8691","0.0003","10.6959","0.0002","90","","104.18","0.001","90","","2329.09","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 I N O5 -","- C21 H36 I N O5 -","- C84 H144 I4 N4 O20 -","4","1","","Krabbe, Scott W.; Do, Dung T.; Johnson, Jeffrey S.","Cu(II)-Catalyzed Aerobic Hydroperoxidation of Meldrum's Acid Derivatives and Application in Intramolecular Oxidation: A Conceptual Blueprint for O(2)/H(2) Dihydroxylation.","Organic letters","2012","14","23","5932","5935","10.1021/ol302848m","","","1.54179","CuKα","","0.0596","0.0433","","","0.102","0.111","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508769","10.7551","0.0008","10.8927","0.0006","17.419","0.0001","90","","90","","90","","2040.67","0.19","155","2","155","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N O -","- C29 H23 N O -","- C116 H92 N4 O4 -","4","1","","Xiao, You-Cai; Zhou, Qing-Qing; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun","Asymmetric Diels-Alder Reaction of 2-Methyl-3-indolylmethanols via in Situ Generation of o-Quinodimethanes.","Organic letters","2012","14","23","5940","5943","10.1021/ol302853m","","","1.54184","CuKα","","0.0266","0.0265","","","0.0648","0.0649","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508770","14.5477","0.0006","9.8838","0.0003","14.5179","0.0007","90","","107.769","0.003","90","","1987.89","0.14","223","2","223","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C22 H22 F6 N2 -","- C22 H22 F6 N2 -","- C88 H88 F24 N8 -","4","1","","Müller, Christian H; Fröhlich, Roland; Daniliuc, Constantin G.; Hennecke, Ulrich","Efficient Synthesis of Chiral 2,2'-Bipyrrolidines by an anti-Selective Alkene Diamination.","Organic letters","2012","14","23","5944","5947","10.1021/ol302855z","","","1.54178","CuKα","","0.0654","0.057","","","0.1469","0.156","","","","","","1.032","","","","has coordinates,has disorder","301775","2025-08-18","14:03:06",""
"1508771","15.0501","0.0006","30.2465","0.0008","8.6794","0.0002","90","","103.939","0.002","90","","3834.6","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Br2 N2 -","- C20 H22 Br2 N2 -","- C160 H176 Br16 N16 -","8","2","","Müller, Christian H; Fröhlich, Roland; Daniliuc, Constantin G.; Hennecke, Ulrich","Efficient Synthesis of Chiral 2,2'-Bipyrrolidines by an anti-Selective Alkene Diamination.","Organic letters","2012","14","23","5944","5947","10.1021/ol302855z","","","1.54178","CuKα","","0.0656","0.0465","","","0.1083","0.1189","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508772","17.6875","0.0004","17.6875","0.0004","26.5075","0.0007","90","","90","","90","","8292.8","0.3","223","2","223","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C320 H352 N64 O64 -","16","0.5","","Müller, Christian H; Fröhlich, Roland; Daniliuc, Constantin G.; Hennecke, Ulrich","Efficient Synthesis of Chiral 2,2'-Bipyrrolidines by an anti-Selective Alkene Diamination.","Organic letters","2012","14","23","5944","5947","10.1021/ol302855z","","","0.71073","MoKα","","0.0988","0.0693","","","0.1905","0.2111","","","","","","1.09","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508773","5.78493","0.00007","12.86729","0.00013","21.7765","0.0002","90","","90","","90","","1620.96","0.03","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Abels, Falko; Lindemann, Chris; Koch, Eva; Schneider, Christoph","A General Organocatalytic Approach toward the Enantioselective Total Synthesis of Indolizidine Based Alkaloids.","Organic letters","2012","14","23","5972","5975","10.1021/ol302871u","","","1.54184","CuKα","","0.0353","0.0351","","","0.094","0.0942","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508774","5.9928","0.0001","12.5308","0.0003","22.425","0.0004","90","","90","","90","","1684","0.06","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Abels, Falko; Lindemann, Chris; Koch, Eva; Schneider, Christoph","A General Organocatalytic Approach toward the Enantioselective Total Synthesis of Indolizidine Based Alkaloids.","Organic letters","2012","14","23","5972","5975","10.1021/ol302871u","","","1.54184","CuKα","","0.0285","0.0276","","","0.0728","0.0734","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508775","9.6599","0.0004","10.661","0.0004","21.2315","0.0009","90","","90","","90","","2186.51","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Albertshofer, Klaus; Anderson, Kimberly E.; Barbas, 3rd, Carlos F","Assembly of Spirooxindole Derivatives via Organocatalytic Iminium-Enamine Cascade Reactions.","Organic letters","2012","14","23","5968","5971","10.1021/ol302876c","","","1.54178","CuKα","","0.0249","0.0248","","","0.069","0.0692","","","","","","1.02","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508776","8.303","0.004","11.685","0.005","11.372","0.005","90","","101.556","0.004","90","","1081","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","","Gu, Peiming; Kang, Xiao-Yan; Sun, Jian; Wang, Bao-Juan; Yi, Ming; Li, Xue-Qiang; Xue, Ping; Li, Rui","Intramolecular Schmidt reaction of acyl chlorides with alkyl azides: rapid access to fused polycyclic nitrogen-containing heterocycles via a multistep one-pot transformation.","Organic letters","2012","14","22","5796","5799","10.1021/ol302890a","","","0.71073","MoKα","","0.0977","0.0629","","","0.185","0.2215","","","","","","1.043","","","","has coordinates,has disorder","301775","2025-08-18","14:03:06",""
"1508777","6.965","0.01","9.91","0.015","17.31","0.03","90","","90.631","0.017","90","","1195","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Gu, Peiming; Kang, Xiao-Yan; Sun, Jian; Wang, Bao-Juan; Yi, Ming; Li, Xue-Qiang; Xue, Ping; Li, Rui","Intramolecular Schmidt reaction of acyl chlorides with alkyl azides: rapid access to fused polycyclic nitrogen-containing heterocycles via a multistep one-pot transformation.","Organic letters","2012","14","22","5796","5799","10.1021/ol302890a","","","0.71073","MoKα","","0.2089","0.1189","","","0.1387","0.1601","","","","","","1.176","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508778","17.129","0.0012","10.1809","0.0006","19.7805","0.001","90","","104.155","0.003","90","","3344.8","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl N O Si -","- C17 H18 Cl N O Si -","- C136 H144 Cl8 N8 O8 Si8 -","8","2","","Wong, Ying-Chieh; Tseng, Chen-Tso; Kao, Tzu-Ting; Yeh, Yu-Cheng; Shia, Kak-Shan","Tandem Cyclization of α-Cyano α-Alkynyl Aryl Ketones Induced by tert-Butyl Hydroperoxide and Tetrabutylammonium Iodide.","Organic letters","2012","14","23","6024","6027","10.1021/ol3028972","","","0.71073","MoKα","","0.0928","0.0763","","","0.2132","0.2286","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508779","8.6754","0.0003","14.638","0.0005","21.7393","0.0008","90","","90","","90","","2760.68","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(iodo(naphthalen-2-yl)methylene)tetrahydros","","","- C15 H13 I Se -","- C15 H13 I Se -","- C120 H104 I8 Se8 -","8","2","","Gai, Rafaela M.; Schumacher, Ricardo F.; Back, Davi F.; Zeni, Gilson","Regioselective Formation of Tetrahydroselenophenes via 5-exo-dig-Cyclization of 1-Butylseleno-4-alkynes","Organic Letters","2012","14","23","6072","6075","10.1021/ol302919b","","","0.71073","MoKα","","0.046","0.0348","","","0.0809","0.0852","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508780","7.1334","0.0008","11.0837","0.0014","12.6786","0.0013","65.718","0.004","84.358","0.003","78.742","0.004","895.98","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 Br O4 -","- C20 H21 Br O4 -","- C40 H42 Br2 O8 -","2","1","","Miura, Takuya; Yadav, Navnath Dnyanoba; Iwasaki, Hiroki; Ozeki, Minoru; Kojima, Naoto; Yamashita, Masayuki","Novel Skeleton Transformation Reaction of α-Pyrone Derivatives to Spirobicyclo[3.1.0]hexane Derivatives Using Dimethylsulfoxonium Methylide.","Organic letters","2012","14","23","6048","6051","10.1021/ol302942m","","","0.71075","MoKα","","","0.0493","","","","0.1617","","","","","","1.13","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508781","8.7606","0.0005","9.588","0.0005","18.8582","0.0009","90","","103.118","0.005","90","","1542.69","0.14","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35 N O5 -","- C29 H35 N O5 -","- C58 H70 N2 O10 -","2","1","","Xu, Guo-Bo; Li, Li-Mei; Yang, Tao; Zhang, Guo-Lin; Li, Guo-You","Chaetoconvosins A and B, Alkaloids with New Skeleton from Fungus Chaetomium convolutum.","Organic letters","2012","14","23","6052","6055","10.1021/ol302943v","","","0.7107","MoKα","","0.0867","0.0616","","","0.1421","0.1551","","","","","","0.998","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508782","8.9461","0.0006","8.981","0.0006","20.001","0.0013","90","","90.115","0.005","90","","1606.98","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H19 N -","- C21 H19 N -","- C84 H76 N4 -","4","2","","Qiu, Youai; Kong, Wangqing; Fu, Chunling; Ma, Shengming","Carbazoles via AuCl(3)-Catalyzed Cyclization of 1-(Indol-2-yl)-3-alkyn-1-ols.","Organic letters","2012","14","24","6198","6201","10.1021/ol3029498","","","0.71073","MoKα","","0.059","0.0395","","","0.0889","0.0972","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508783","8.366","0.003","8.94","0.003","9.697","0.003","74.904","0.004","80.91","0.004","71.519","0.004","661.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Br2 O2 -","- C14 H12 Br2 O2 -","- C28 H24 Br4 O4 -","2","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.0695","0.0472","","","0.1331","0.1557","","","","","","1.107","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508784","31.646","0.003","6.9207","0.0007","19.584","0.002","90","","102.15","0.002","90","","4193.1","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Br2 O5 -","- C22 H20 Br2 O5 -","- C176 H160 Br16 O40 -","8","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.057","0.036","","","0.1068","0.1336","","","","","","1.153","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508785","9.9684","0.0014","10.5486","0.0015","10.7325","0.0017","109.747","0.002","98.305","0.002","112.538","0.002","931.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H14 Br2 O -","- C23 H14 Br2 O -","- C46 H28 Br4 O2 -","2","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.0651","0.0435","","","0.1389","0.1693","","","","","","1.119","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508786","7.6981","0.001","10.9144","0.0014","19.206","0.002","90","","90","","90","","1613.7","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.0388","0.0328","","","0.0884","0.0932","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508787","8.7664","0.0012","8.7325","0.0011","22.469","0.003","90","","91.846","0.003","90","","1719.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C76 H68 N4 O20 -","4","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.1415","0.0726","","","0.1233","0.1477","","","","","","1.088","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508788","25.297","0.003","11.5939","0.0014","16.0976","0.0016","90","","93.893","0.002","90","","4710.4","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br2 Cl3 N O5 -","- C20 H16 Br2 Cl3 N O5 -","- C160 H128 Br16 Cl24 N8 O40 -","8","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.1255","0.0861","","","0.1941","0.2166","","","","","","1.121","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508789","8.0757","0.0012","6.151","0.0009","33.116","0.005","90","","92.33","0.003","90","","1643.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C76 H68 N4 O20 -","4","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.0842","0.0618","","","0.1545","0.1745","","","","","","1.114","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508790","12.934","0.003","8.1387","0.0018","17.792","0.004","90","","94.906","0.003","90","","1866","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Das, Jayanta; Koswatta, Panduka B.; Jones, J. Daniel; Yousufuddin, Muhammed; Lovely, Carl J.","Total syntheses of kealiinines a-C.","Organic letters","2012","14","24","6210","6213","10.1021/ol302958e","","","0.71073","MoKα","","0.0719","0.0503","","","0.1129","0.1195","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508791","8.336","0.002","13.411","0.004","15.707","0.004","90","","112.944","0.011","90","","1617","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Das, Jayanta; Koswatta, Panduka B.; Jones, J. Daniel; Yousufuddin, Muhammed; Lovely, Carl J.","Total syntheses of kealiinines a-C.","Organic letters","2012","14","24","6210","6213","10.1021/ol302958e","","","0.71073","MoKα","","0.073","0.0496","","","0.1193","0.1326","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508792","10.371","0.002","11.751","0.003","20.714","0.004","95.766","0.003","90.808","0.003","104.77","0.003","2426.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F3 N3 O6 -","- C24 H24 F3 N3 O6 -","- C96 H96 F12 N12 O24 -","4","2","","Das, Jayanta; Koswatta, Panduka B.; Jones, J. Daniel; Yousufuddin, Muhammed; Lovely, Carl J.","Total syntheses of kealiinines a-C.","Organic letters","2012","14","24","6210","6213","10.1021/ol302958e","","","0.71073","MoKα","","0.1358","0.064","","","0.1464","0.1658","","","","","","1.053","","","","has coordinates,has disorder","301775","2025-08-18","14:03:06",""
"1508793","8.182","0.0008","10.6061","0.0011","13.7522","0.0014","90","","90.956","0.002","90","","1193.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Huang, Liping; Liu, Yang; Xie, Fuchun; Hu, Youhong","An organic molecule modulated chemoselective cyclization of alkynyl nitriles tethered to 2-alkyl substituted chromones with multireactive sites.","Organic letters","2012","14","24","6122","6125","10.1021/ol302964x","","","0.71073","MoKα","","0.056","0.0415","","","0.0978","0.1029","","","","","","0.912","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508794","8.5967","0.0008","10.5041","0.0009","12.0568","0.0011","73.286","0.002","75.763","0.002","82.041","0.002","1008.02","0.16","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C50 H44 N4 O4 -","2","1","","Huang, Liping; Liu, Yang; Xie, Fuchun; Hu, Youhong","An organic molecule modulated chemoselective cyclization of alkynyl nitriles tethered to 2-alkyl substituted chromones with multireactive sites.","Organic letters","2012","14","24","6122","6125","10.1021/ol302964x","","","0.71073","MoKα","","0.0481","0.0403","","","0.1139","0.1223","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508795","28.121","0.007","9.598","0.002","23.181","0.006","90","","116.64","0.003","90","","5592","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 Cl2 N2 O -","- C35 H28 Cl2 N2 O -","- C280 H224 Cl16 N16 O8 -","8","1","","Zhang, Li; Li, Zhiming; Fan, Renhua","1,2- and 1,4-Additions of 2-Alkynylcyclohexadienimines with Aromatic Amines To Access 4-Amino-N-arylindoles and -azepinoindoles.","Organic letters","2012","14","23","6076","6079","10.1021/ol3029675","","","0.71073","MoKα","","0.1199","0.1006","","","0.2845","0.3115","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508796","12.402","0.0005","8.869","0.0003","14.271","0.0005","90","","98.761","0.002","90","","1551.4","0.1","298","","","","","","","","","","Local laboratory","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","","Ito, Yoshikatsu; Horie, Souta; Shindo, Yasuhiro","Photodimerization ofN-[(E)-3,4-Methylenedioxycinnamoyl]dopamine in the Solid State","Organic Letters","2012","14","22","5812","","10.1021/ol3029719","","","1.54184","CuKα","","0.0567","0.0511","","","0.1445","0.1527","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508797","12.7827","0.0008","12.7827","0.0008","13.7419","0.0018","90","","90","","90","","2245.4","0.4","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C27 H22 Cl N O4 -","- C27 H22 Cl N O4 -","- C108 H88 Cl4 N4 O16 -","4","1","","He, Zhaolin; Liu, Tanglin; Tao, Haiyan; Wang, Chun-Jiang","A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Aromatization.","Organic letters","2012","14","24","6230","6233","10.1021/ol302987h","","","0.71073","MoKα","","0.0458","0.0343","","","0.0834","0.0908","","","","","","1.046","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508798","8.9427","0.0014","24.682","0.004","9.8606","0.0016","90","","97.843","0.002","90","","2156.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C92 H96 Cl4 N4 O16 -","4","1","","He, Zhaolin; Liu, Tanglin; Tao, Haiyan; Wang, Chun-Jiang","A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Aromatization.","Organic letters","2012","14","24","6230","6233","10.1021/ol302987h","","","0.71073","MoKα","","0.0641","0.045","","","0.0965","0.1077","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508799","16.1421","0.0018","10.9109","0.0007","18.5908","0.0016","90","","113.887","0.012","90","","2993.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 N2 O2 S -","- C37 H32 N2 O2 S -","- C148 H128 N8 O8 S4 -","4","1","","Jiang, Zheng; Lu, Ping; Wang, Yanguang","Three-component reaction of propargyl amines, sulfonyl azides, and alkynes: one-pot synthesis of tetrasubstituted imidazoles.","Organic letters","2012","14","24","6266","6269","10.1021/ol303023y","","","0.71073","MoKα","","0.1472","0.0894","","","0.2242","0.2567","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508800","6.173","0.002","10.624","0.003","16.08","0.004","90","","90","","90","","1054.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 I O2 -","- C9 H15 I O2 -","- C36 H60 I4 O8 -","4","1","","Fang, Chao; Paull, Daniel H.; Hethcox, J. Caleb; Shugrue, Christopher R.; Martin, Stephen F.","Enantioselective iodolactonization of disubstituted olefinic acids using a bifunctional catalyst.","Organic letters","2012","14","24","6290","6293","10.1021/ol3030555","","","0.71075","MoKα","","0.0972","0.0832","","","0.1598","0.1678","","","","","","1.113","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508801","8.3841","0.0012","12.058","0.002","10.8793","0.0015","90","","102.835","0.003","90","","1072.4","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 I O2 -","- C11 H11 I O2 -","- C44 H44 I4 O8 -","4","2","","Fang, Chao; Paull, Daniel H.; Hethcox, J. Caleb; Shugrue, Christopher R.; Martin, Stephen F.","Enantioselective iodolactonization of disubstituted olefinic acids using a bifunctional catalyst.","Organic letters","2012","14","24","6290","6293","10.1021/ol3030555","","","0.71075","MoKα","","0.0139","0.0137","","","0.0365","0.0366","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508802","9.394","0.0001","15.3467","0.0002","21.3416","0.0003","90","","106.931","0.001","90","","2943.39","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 N7 O10 -","- C30 H33 N7 O10 -","- C120 H132 N28 O40 -","4","1","","Dąbrowa, Kajetan; Pawlak, Marcin; Duszewski, Piotr; Jurczak, Janusz","""Unclosed cryptands"": a point of departure for developing potent neutral anion receptors.","Organic letters","2012","14","24","6298","6301","10.1021/ol303065k","","","0.71073","MoKα","","0.0491","0.0385","","","0.1182","0.1297","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508803","24.763","0.002","10.2635","0.0007","25.5165","0.0017","90","","105.321","0.01","90","","6254.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 N7 O8 S -","- C30 H31 N7 O8 S -","- C240 H248 N56 O64 S8 -","8","1","","Dąbrowa, Kajetan; Pawlak, Marcin; Duszewski, Piotr; Jurczak, Janusz","""Unclosed cryptands"": a point of departure for developing potent neutral anion receptors.","Organic letters","2012","14","24","6298","6301","10.1021/ol303065k","","","0.71073","MoKα","","0.0544","0.0297","","","0.0636","0.0674","","","","","","0.873","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508804","14.5855","0.0012","10.4295","0.0008","16.8508","0.0015","90","","101.441","0.002","90","","2512.4","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H47 Cl4 Ir N2 O9 P2 -","- C48 H37 Cl2 Ir N2 O8 P2 -","- C96 H74 Cl4 Ir2 N4 O16 P4 -","2","1","","Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J.","Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes.","Organic letters","2012","14","24","6302","6305","10.1021/ol3030692","","","0.71075","MoKα","","0.0245","0.0236","","","0.0625","0.0629","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508805","11.849","0.002","17.116","0.003","22.974","0.004","90","","90","","90","","4659.3","1.4","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Cl4 Ir N2 O6 P2 -","- C48 H35 Ir N2 O10 P2 -","- C192 H140 Ir4 N8 O40 P8 -","4","1","","Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J.","Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes.","Organic letters","2012","14","24","6302","6305","10.1021/ol3030692","","","0.71075","MoKα","","0.0261","0.0252","","","0.0656","0.0659","","","","","","1.118","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508806","12.0018","0.0009","17.5679","0.0013","21.824","0.002","90","","90","","90","","4601.5","0.6","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H42 Cl4 Ir N O9 P2 -","- C51 H42 Cl4 Ir N O9 P2 -","- C204 H168 Cl16 Ir4 N4 O36 P8 -","4","1","","Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J.","Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes.","Organic letters","2012","14","24","6302","6305","10.1021/ol3030692","","","0.71075","MoKα","","0.0278","0.0269","","","0.0717","0.0719","","","","","","1.347","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508807","8.8732","0.0002","9.6183","0.0002","25.3162","0.0006","90","","90","","90","","2160.61","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O7 -","- C22 H27 N O7 -","- C88 H108 N4 O28 -","4","1","","Li, Meiling; Datta, Swarup; Barber, David M.; Dixon, Darren J.","Dual amine and palladium catalysis in diastereo- and enantioselective allene carbocyclization reactions.","Organic letters","2012","14","24","6350","6353","10.1021/ol303128s","","","0.71073","MoKα","","0.068","0.0402","","0.1211","0.0924","0.1211","","","","","","0.9568","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508808","6.8088","0.0005","8.1381","0.0006","32.921","0.002","90","","90","","90","","1824.2","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H29 N O3 Si -","- C15 H28.5 N O3 Si -","- C60 H114 N4 O12 Si4 -","4","4","","Kashinath, K.; Vasudevan, N.; Reddy, D. Srinivasa","Studies toward the synthesis of potent anti-inflammatory peptides solomonamides A and B: synthesis of a macrocyclic skeleton and key fragment 4-amino-6-(2'-amino-4'-hydroxyphenyl)-3-hydroxy-2-methyl-6-oxohexanoic acid (AHMOA)","Organic Letters","2012","14","24","6222","6225","10.1021/ol303149k","","","0.71073","MoKα","","0.0819","0.0645","","","0.1756","0.1968","","","","","","1.081","","","","has coordinates","218681","2020-10-21","18:00:00",""
"1508809","6.713","0.004","20.949","0.011","13.223","0.007","90","","100.98","0.009","90","","1825.5","1.7","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","","Chun, Yu Sung; Kim, Ju Hyun; Choi, Suh Young; Ko, Young Ok; Lee, Sang-Gi","Cu(OAc)(2)-Catalyzed Tandem Blaise/Pinner-Type Reaction for One-Pot Synthesis of Pyrimidin-4-ones.","Organic letters","2012","14","24","6358","6361","10.1021/ol303153g","","","0.71073","MoKα","","0.0737","0.048","","","0.1021","0.1109","","","","","","0.906","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508810","8.936","0.004","7.703","0.003","23.997","0.009","90","","100.239","0.007","90","","1625.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Chun, Yu Sung; Kim, Ju Hyun; Choi, Suh Young; Ko, Young Ok; Lee, Sang-Gi","Cu(OAc)(2)-Catalyzed Tandem Blaise/Pinner-Type Reaction for One-Pot Synthesis of Pyrimidin-4-ones.","Organic letters","2012","14","24","6358","6361","10.1021/ol303153g","","","0.71073","MoKα","","0.0752","0.0557","","","0.1713","0.1765","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508811","7.267","0.0001","17.0474","0.0002","21.466","0.0003","90","","90","","90","","2659.28","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O5 -","- C30 H44 O5 -","- C120 H176 O20 -","4","1","","Liang, Cheng-Qin; Shi, Yi-Ming; Luo, Rong-Hua; Li, Xing-Yao; Gao, Zhong-Hua; Li, Xiao-Nian; Yang, Liu-Meng; Shang, Shan-Zhai; Li, Yan; Zheng, Yong-Tang; Zhang, Hong-Bin; Xiao, Wei-Lie; Sun, Han-Dong","Kadcoccitones A and B, Two New 6/6/5/5-Fused Tetracyclic Triterpenoids from Kadsura coccinea.","Organic letters","2012","14","24","6362","6365","10.1021/ol303168y","","","1.54178","CuKα","","0.0507","0.0506","","","0.1229","0.1231","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508812","5.2452","0.0009","27.662","0.005","9.8539","0.0017","90","","101.11","0.004","90","","1402.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F3 N O3 S -","- C13 H14 F3 N O3 S -","- C52 H56 F12 N4 O12 S4 -","4","1","","Fritz, Sven P.; West, Thomas H.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Diastereoselective Synthesis of CF(3)-Substituted, Epoxide-Fused Heterocycles with β-(Trifluoromethyl)vinylsulfonium Salts.","Organic letters","2012","14","24","6370","6373","10.1021/ol303200n","","","1.54178","CuKα","","0.0309","0.0306","","","0.081","0.0812","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508813","11.2358","0.0009","12.4002","0.001","11.5916","0.0009","90","","109.454","0.004","90","","1522.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H13 F3 N2 O5 S -","- C13 H13 F3 N2 O5 S -","- C52 H52 F12 N8 O20 S4 -","4","2","","Fritz, Sven P.; West, Thomas H.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Diastereoselective Synthesis of CF(3)-Substituted, Epoxide-Fused Heterocycles with β-(Trifluoromethyl)vinylsulfonium Salts.","Organic letters","2012","14","24","6370","6373","10.1021/ol303200n","","","0.71073","MoKα","","0.0455","0.0401","","","0.1056","0.1095","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1508814","5.0772","0.0002","14.0415","0.0005","20.6933","0.0006","90","","90","","90","","1475.26","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F3 N2 O5 S -","- C13 H13 F3 N2 O5 S -","- C52 H52 F12 N8 O20 S4 -","4","1","","Fritz, Sven P.; West, Thomas H.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Diastereoselective Synthesis of CF(3)-Substituted, Epoxide-Fused Heterocycles with β-(Trifluoromethyl)vinylsulfonium Salts.","Organic letters","2012","14","24","6370","6373","10.1021/ol303200n","","","0.71073","MoKα","","0.0313","0.0273","","","0.0655","0.0676","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509178","5.5871","","5.5871","","22.5131","","90","","90","","120","","608.61","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag Al11 O17 -","- Ag0.9999 Al11 O16.9999 -","- Ag1.9998 Al22 O33.9998 -","2","0.0833333","","Tofield, B.C.; Newsam, J.M.","A powder neutron diffraction study of stoichiometric silver beta alumina at 4.2 K","Journal of Physics C","1981","14","","1545","1554","10.1088/0022-3719/14/11/016","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509428","12.3","","12.3","","13.48","","90","","90","","90","","2039.39","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","K3 Ag O2","","- Ag K3 O2 -","- Ag K3 O2 -","- Ag16 K48 O32 -","16","4","","Lecart, B.; Devalette, M.; Darriet, B.","Determination de la structure cristalline de K3 Ag O2","Revue de Chimie Minerale","1977","14","","423","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509799","7.42","","7.68","","10.46","","90","","90","","90","","596.069","","","","","","","","","","","","","4","I m a 2","I 2 -2a","46","","Ag2 Nb2 O5 F2","","- Ag2 F2 Nb2 O5 -","- Ag2 F1.9999 Nb2 O5.0001 -","- Ag8 F7.9996 Nb8 O20.0004 -","4","0.5","","Chaminade, J.P.; Vlasse, M.; Saux, M.; Pouchard, M.","La structure cristalline de l'oxyfluorure d'argent et de niobium Ag2 Nb2 O5 F2","Revue de Chimie Minerale","1977","14","","429","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509815","13.1872","","20.9825","","21.9243","","110.113","","96.327","","100.665","","5497.87","","","","","","","","","","","","","7","P -1","-P 1","2","","K16 (Ag (H2 As2 W9 O34) (H2 As W9 O33) (Mo3 S4 (H2 O)5))2 (H2 O)48","","- Ag2 As6 K10 Mo6 O173 S8 W36 -","- Ag2 As6 K10 Mo6 O173 S8 W36 -","- Ag2 As6 K10 Mo6 O173 S8 W36 -","1","0.5","","Marrot, J.; Cadot, E.; Duval, S.; Simonnet-Jegat, C.; Sokolov, M.; Pilette, M.A.","Selective inclusion of Cu(+) and Ag(+) electron - rich metallic cations within supramolecular polyoxometalates based on {As W9 O33} {Mo3 S4} combinations","Chemistry - A European Journal","2008","14","","3457","3466","10.1002/chem.200701152","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509878","11.17","","11.17","","11.17","","90.1","","90.1","","90.1","","1393.66","","","","","","","","","","","","","3","R 3 2 :R","P 3* 2","155","","Rb Ag4 I5","","- Ag4 I5 Rb -","- Ag4.0005 I5 Rb -","- Ag16.002 I20 Rb4 -","4","0.666667","","Geller, S.","Low temperature phases of the solid electrolyte Rb Ag4 I5","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1976","14","","4345","4355","10.1103/PhysRevB.14.4345","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510085","7.741","","7.741","","4.216","","90","","90","","120","","218.789","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ce Au Mg1.031","","- Au Ce Mg1.031 -","- Au1.00833 Ce Mg1.031 -","- Au3.025 Ce3 Mg3.093 -","3","0.25","","Kremer, R.K.; Das, A.; Hoffmann, R.D.; Gibson, B.J.; Poettgen, R.","Synthesis, structure and magnetic properties of La T Mg and Ce T Mg (T= Pd, Pt, Au)","Journal of Physics: Condensed Matter","2002","14","","5173","5186","10.1088/0953-8984/14/20/312","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510289","6.66","","6.66","","6.66","","90","","90","","90","","295.408","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Au Sb2 -","- Au Sb2 -","- Au4 Sb8 -","4","0.166667","","Westgren, A.; Almin, A.; Nial, O.","Roentgenanalyse der Systeme Au-Sb und Ag-Sn","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1931","14","","81","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510301","4.323","","4.323","","5.523","","90","","90","","120","","89.387","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Au Sn -","- Au Sn -","- Au2 Sn2 -","2","0.0833333","","Westgren, A.; Stenbeck, S.","Roentgenanalyse der Gold-Zinn-Legierungen","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1931","14","","91","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510596","6.097","","6.097","","6.097","","90","","90","","90","","226.646","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Au Be5 -","- Au Be5 -","- Au4 Be20 -","4","0.0416667","","Misch, L.","Die Kristallstruktur des Au Be5 und Pd Be5 und ihre Beziehungen zur kubischen AB2-Struktur","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1935","14","","897","899","","","","","","","","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1511304","3.358","","3.358","","4.058","","90","","90","","120","","39.628","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Pt B","","- B Pt -","- B Pt -","- B2 Pt2 -","2","0.0833333","","Stenberg, E.; Aselius, J.; Aronsson, B.","Borides of Rhenium and the Platinum Metals. The Crystal Structures of Re7 B3, Re B3, Rh7 B3, Rh B1.1, Ir B1.1 and Pt B","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","733","741","10.3891/acta.chem.scand.14-0733","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511311","2.89","","9.313","","7.258","","90","","90","","90","","195.346","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Re3 B","","- B Re3 -","- B Re3 -","- B4 Re12 -","4","0.25","","Rundqvist, S.; Bacmann, M.; Aronsson, B.","The crystal structure of Re3 B","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","1001","1005","10.3891/acta.chem.scand.14-1001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511334","2.81","","2.81","","10.263","","90","","90","","90","","81.038","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Ir B1.1","","- B1.1 Ir -","- B1.1 Ir -","- B4.4 Ir4 -","4","0.125","","Aselius, J.; Aronsson, B.; Stenberg, E.","Borides of Rhenium and the Platinum Metals. The Crystal Structures of Re7 B3, Re B3, Rh7 B3, Rh B1.1, Ir B1.1 and Pt B","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","733","741","10.3891/acta.chem.scand.14-0733","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511336","3.309","","3.309","","4.224","","90","","90","","120","","40.054","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Rh B1.1","","- B1.1 Rh -","- B Rh0.909 -","- B2 Rh1.818 -","2","0.0833333","","Aronsson, B.; Aselius, J.; Stenberg, E.","Borides of Rhenium and the Platinum Metals. The Crystal Structures of Re7 B3, Re B3, Rh7 B3, Rh B1.1, Ir B1.1 and Pt B","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","733","741","10.3891/acta.chem.scand.14-0733","","","","","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"1511498","16.45","","8.81","","7.37","","90","","90","","90","","1068.09","","","","","","","","","","","","","4","P 21 c n","P -2n 2a","33","","Pr2 Sr3 (B O3)4","","- B4 O12 Pr2 Sr3 -","- B4 O12 Pr2 Sr3 -","- B16 O48 Pr8 Sr12 -","4","1","","Kuznetsov, V.G.; Moruga, L.G.; Palkina, K.K.","Crystal Structure of Pr2 Sr3 (B O3)4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1973","14","","1053","1057","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511652","11.955","","11.955","","11.955","","90","","90","","90","","1708.63","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cu3 (B7 O13 Br)","","- B7 Br Cu3 O13 -","- B7 Br Cu3 O13 -","- B56 Br8 Cu24 O104 -","8","0.0833333","","Nelmes, R.J.; Hay, W.J.","Structural studies of boracites- VI. The cubic phase of cobalt iodine boracite, Co3 B7 O13 I, and of copper bromine boracite Cu3 B7 O13 Br","Journal of Physics C","1981","14","","5247","5257","10.1088/0022-3719/14/34/007","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511656","12.491","","12.491","","12.491","","90","","90","","90","","1948.91","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cd3 B7 O13 S2","","- B7 Cd2.988 O12.765 S1.88 -","- B7 Cd2.988 O12.765 S1.88 -","- B56 Cd23.904 O102.12 S15.04 -","8","0.0833333","","Nelmes, R.J.; Gould, S.E.B.; Gould, R.O.","Structural studies of boracites. VII. Cadmium sulphur boracite at room temperature","Journal of Physics C","1981","14","","5259","5267","10.1088/0022-3719/14/34/008","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511699","11.609","","11.342","","2.836","","90","","90","","90","","373.414","","","","","","","","","","","","","2","P b a m","-P 2 2ab","55","","Ru11 B8","","- B8 Ru11 -","- B8 Ru11 -","- B16 Ru22 -","2","0.25","","Aselius, J.","The crystal structure of Ru11 B8","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","2169","2176","10.3891/acta.chem.scand.14-2169","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511719","5.097","","5.097","","7.037","","90","","90","","90","","182.817","","","","","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","U Co4 B4","","- B4 Co4 U -","- B4 Co4 U -","- B8 Co8 U2 -","2","0.125","","Val'ovka, I.P.; Kuz'ma, Yu.B.","Uranium - (iron, cobalt, nickel) - boron system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1978","14","","469","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511776","9.0462","0.0006","15.0946","0.001","14.9988","0.001","90","","102.966","0.001","90","","1995.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-(ethane-1,1-diyl)bis(1-cyanato- 2-methoxy-4-methylbenzene)","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Meylemans, Heather A.; Harvey, Benjamin G.; Reams, Josiah T.; Guenthner, Andrew J.; Cambrea, Lee R.; Groshens, Thomas J.; Baldwin, Lawrence C.; Garrison, Michael D.; Mabry, Joseph M.","Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol.","Biomacromolecules","2013","14","3","771","780","10.1021/bm3018438","","","0.71073","MoKα","","0.0553","0.0397","","","0.1005","0.1134","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1511777","7.062","0.002","11.734","0.004","12.337","0.004","106.625","0.004","95.476","0.004","105.337","0.004","928.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5,5?-(ethane-1,1-diyl)bis(1-cyanato- 2-methoxy-4-methylbenzene)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Meylemans, Heather A.; Harvey, Benjamin G.; Reams, Josiah T.; Guenthner, Andrew J.; Cambrea, Lee R.; Groshens, Thomas J.; Baldwin, Lawrence C.; Garrison, Michael D.; Mabry, Joseph M.","Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol.","Biomacromolecules","2013","14","3","771","780","10.1021/bm3018438","","","0.71073","MoKα","","0.0647","0.0404","","","0.0961","0.1104","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1511778","17.5687","0.0012","4.777","0.0003","22.8294","0.0016","90","","112.446","0.001","90","","1770.8","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(5-cyanato-4-methoxy- 2-methylphenyl)methane","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","0.5","","Meylemans, Heather A.; Harvey, Benjamin G.; Reams, Josiah T.; Guenthner, Andrew J.; Cambrea, Lee R.; Groshens, Thomas J.; Baldwin, Lawrence C.; Garrison, Michael D.; Mabry, Joseph M.","Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol.","Biomacromolecules","2013","14","3","771","780","10.1021/bm3018438","","","0.71073","MoKα","","0.0789","0.0415","","","0.0917","0.1123","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1513969","8.24609","0.00014","8.24609","0.00014","8.24609","0.00014","90","","90","","90","","560.718","0.016","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.87)","","- Li Mn2 O3.868 -","- Li Mn2 O3.8664 -","- Li8 Mn16 O30.9312 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","13","1948","1958","10.1039/B314810F","","","","","","0.0422","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1516057","17.039","0.005","6.2992","0.0013","21.025","0.006","90","","97.831","0.006","90","","2235.6","1","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H15 Mo O5 P -","- C26 H15 Mo O5 P -","- C104 H60 Mo4 O20 P4 -","4","2","","Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois","A new route to a 2-phosphanaphthalene.","Organic letters","2012","14","18","4974","4975","10.1021/ol302278p","","","0.71073","MoKα","","0.1402","0.0704","","","0.1455","0.2063","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516058","18.4823","0.0008","9.4251","0.0003","15.2278","0.0005","90","","114.313","0.001","90","","2417.38","0.15","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cl O6 P W -","- C26 H16 Cl O6 P W -","- C104 H64 Cl4 O24 P4 W4 -","4","1","","Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois","A new route to a 2-phosphanaphthalene.","Organic letters","2012","14","18","4974","4975","10.1021/ol302278p","","","0.71073","MoKα","","0.0282","0.0233","","","0.0525","0.054","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516059","8.1251","0.0004","12.1902","0.0006","25.1571","0.0012","90","","90.472","0.001","90","","2491.6","0.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cl O6 P W -","- C26 H16 Cl O6 P W -","- C104 H64 Cl4 O24 P4 W4 -","4","1","","Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois","A new route to a 2-phosphanaphthalene.","Organic letters","2012","14","18","4974","4975","10.1021/ol302278p","","","0.71073","MoKα","","0.0461","0.0388","","","0.082","0.0849","","","","","","1.202","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516060","40.076","0.007","5.5575","0.0011","13.021","0.002","90","","90","","90","","2900.1","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","2","","Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy","Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams.","Organic letters","2012","14","18","4846","4849","10.1021/ol302176z","","","0.71073","MoKα","","0.145","0.0533","","","0.079","0.1042","","","","","","0.979","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516061","9.5653","0.0014","10.45","0.0013","30.655","0.005","90","","90","","90","","3064.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C136 H176 N16 O24 -","8","1","","Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy","Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams.","Organic letters","2012","14","18","4846","4849","10.1021/ol302176z","","","1.54178","CuKα","","0.1054","0.0784","","","0.1744","0.1857","","","","","","1.147","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516062","10.604","0.005","10.38","0.003","13.204","0.004","90","","95.551","0.014","90","","1446.5","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C64 H80 N8 O12 -","4","1","","Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy","Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams.","Organic letters","2012","14","18","4846","4849","10.1021/ol302176z","","","0.71073","MoKα","","0.0385","0.0329","","","0.0829","0.0876","","","","","","1.017","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516063","6.4277","0.0001","10.169","0.0002","15.7788","0.0002","90","","95.698","0.001","90","","1026.26","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy","Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams.","Organic letters","2012","14","18","4846","4849","10.1021/ol302176z","","","0.71073","MoKα","","0.0387","0.0358","","","0.1071","0.1102","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516064","10.9646","0.0003","34.3413","0.0011","6.972","0.0002","90","","90","","90","","2625.23","0.13","273","2","273","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Brawn, Ryan A.; Guimarães, Cristiano R W; McClure, Kim F.; Liras, Spiros","An efficient synthesis of bridged heterocycles from an Ir(I) bis-amination/ring-closing metathesis sequence.","Organic letters","2012","14","18","4802","4805","10.1021/ol302108m","","","1.54178","CuKα","","0.0356","0.0349","","","0.0978","0.0991","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516066","10.5786","0.0002","10.5791","0.0003","15.5501","0.0004","90","","104.447","0.0016","90","","1685.22","0.07","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N3 O2 -","- C19 H25 N3 O2 -","- C76 H100 N12 O8 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A.","Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine.","Organic letters","2012","14","22","5621","5623","10.1021/ol3026846","","","0.71073","MoKα","","0.0462","0.0384","","0.0933","0.0896","0.0933","","","","","","0.9943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516067","11.8836","0.0001","10.3003","0.0002","15.9702","0.0002","90","","109.242","0.0009","90","","1845.62","0.05","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N3 O2 -","- C20 H29 N3 O2 -","- C80 H116 N12 O8 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A.","Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine.","Organic letters","2012","14","22","5621","5623","10.1021/ol3026846","","","0.71073","MoKα","","0.0478","0.0408","","0.1124","0.107","0.1124","","","","","","0.9957","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516068","13.7232","0.0004","14.9269","0.0005","7.6655","0.0001","90","","90","","90","","1570.24","0.07","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C19 H26 N2 O -","- C19 H26 N2 O -","- C76 H104 N8 O4 -","4","1","","Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A.","Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine.","Organic letters","2012","14","22","5621","5623","10.1021/ol3026846","","","0.71073","MoKα","","0.0447","0.037","","0.0848","0.0824","0.0848","","","","","","1.0269","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516069","5.2688","0.0002","7.4978","0.0005","52.786","0.002","90","","90","","90","","2085.28","0.18","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H38 O4 -","- C21 H38 O4 -","- C84 H152 O16 -","4","1","","Persich, Peter; Kerschbaumer, Julia; Helling, Sandra; Hildmann, Barbara; Wibbeling, Birgit; Haufe, Günter","Transannular O-heterocyclization: a useful tool for the total synthesis of Murisolin and 16,19-cis-Murisolin.","Organic letters","2012","14","22","5628","5631","10.1021/ol302820c","","","1.54178","CuKα","","0.0425","0.0367","","","0.098","0.1047","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516074","12.3712","0.001","12.5383","0.0009","13.3489","0.0017","102.471","0.005","100.682","0.005","118.295","0.004","1677.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H41 N3 O4 -","- C40 H41 N3 O4 -","- C80 H82 N6 O8 -","2","1","","Castellano, Teresa G.; Neo, Ana G.; Marcaccini, Stefano; Marcos, Carlos F.","Enols as feasible acid components in the Ugi condensation.","Organic letters","2012","14","24","6218","6221","10.1021/ol302976g","","","0.71073","MoKα","","0.1934","0.0651","","","0.1358","0.1946","","","","","","0.898","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516075","7.9485","0.0014","12.166","0.002","17.196","0.004","90","","90","","90","","1662.9","0.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.0535","","","","0.1663","","","","","","1.342","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516076","7.1383","0.0014","10.9101","0.0019","23.798","0.005","90","","90","","90","","1853.4","0.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C80 H88 N8 O24 -","4","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.044","","","","0.1214","","","","","","1.121","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516077","8.268","0.003","8.268","0.003","48.704","0.015","90","","90","","120","","2883.3","1.7","173","","173","","","","","","","","","4","P 61","P 61","169","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C126 H156 N12 O30 -","6","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.0343","","","","0.1391","","","","","","1.252","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516078","7.4222","0.0011","9.96","0.0014","25.642","0.004","90","","90","","90","","1895.6","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C84 H112 N8 O12 -","4","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.0491","","","","0.1437","","","","","","1.184","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516079","7.9567","0.001","12.3012","0.0017","20.572","0.003","90","","90","","90","","2013.5","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C88 H104 N8 O16 -","4","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.1641","","","","0.4045","","","","","","1.44","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516081","7.3413","0.0005","7.5696","0.0005","13.1377","0.0008","96.128","0.001","99.18","0.001","95.256","0.001","712.2","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 B F2 N4 -","- C14 H17 B F2 N4 -","- C28 H34 B2 F4 N8 -","2","1","","Lee, Ho Yong; Olasz, András; Chen, Chun-Hsing; Lee, Dongwhan","Three-stage binary switching of azoaromatic polybase.","Organic letters","2012","14","24","6286","6289","10.1021/ol303039s","","","0.71073","MoKα","","0.0439","0.0416","","0.148","0.1329","0.148","","","","","","0.9917","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516082","10.6771","0.0004","13.0878","0.0005","18.3378","0.0006","83.667","0.002","73.144","0.002","75.898","0.002","2376.35","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","work","","","- C29 H20 N2 O7 -","- C29 H20 N2 O7 -","- C116 H80 N8 O28 -","4","2","","Kelgtermans, Hans; Dobrzańska, Liliana; Van Meervelt, Luc; Dehaen, Wim","A fragment-based approach toward substituted trioxa[7]helicenes.","Organic letters","2012","14","20","5200","5203","10.1021/ol3023209","","","1.54178","CuKα","","0.0717","0.053","","","0.128","0.1389","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516083","6.0458","0.001","9.8845","0.0011","24.023","0.003","90","","95.05","0.012","90","","1430","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 O8 -","- C32 H38 O8 -","- C64 H76 O16 -","2","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0582","0.0426","","","0.094","0.1057","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516084","16.6322","0.0011","9.1956","0.0006","12.1051","0.0006","90","","98.357","0.005","90","","1831.73","0.19","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 O8 -","- C40 H54 O8 -","- C80 H108 O16 -","2","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0708","0.0568","","","0.1572","0.1708","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516085","5.271","0.0005","14.1093","0.0014","15.2301","0.0017","90","","94.765","0.009","90","","1128.7","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O8 -","- C26 H24 O8 -","- C52 H48 O16 -","2","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0917","0.0573","","","0.1274","0.1454","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516086","10.8267","0.001","9.5361","0.001","20.2199","0.0019","90","","97.858","0.009","90","","2068","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 O8 -","- C24 H20 O8 -","- C96 H80 O32 -","4","1","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0587","0.043","","","0.0946","0.1047","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516087","10.3165","0.0005","4.9709","0.0002","14.1637","0.0006","90","","101.925","0.004","90","","710.67","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Br O3 -","- C6 H5 Br O3 -","- C24 H20 Br4 O12 -","4","1","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","1.54178","CuKα","","0.0457","0.0421","","","0.1081","0.1121","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516088","29.11","0.002","9.5418","0.001","22.962","0.002","90","","103.062","0.009","90","","6212.9","1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 O6 -","- C36 H42 O6 -","- C288 H336 O48 -","8","1","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0929","0.0505","","","0.1008","0.118","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516089","9.5983","0.001","5.4838","0.0005","24.21","0.003","90","","91.793","0.009","90","","1273.7","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 O8 -","- C32 H24 O8 -","- C64 H48 O16 -","2","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0812","0.0516","","","0.1031","0.1191","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516090","7.7228","0.0005","11.0389","0.0006","13.6925","0.0009","90","","97.28","0.006","90","","1157.89","0.12","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 O8 -","- C26 H26 O8 -","- C52 H52 O16 -","2","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0554","0.0395","","","0.0917","0.1032","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516091","5.7869","0.0005","9.9739","0.0007","16.9218","0.0014","87.166","0.006","81.47","0.007","78.248","0.007","945.45","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H52 O8 -","- C40 H52 O8 -","- C40 H52 O8 -","1","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0555","0.0464","","","0.1114","0.1177","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516092","9.6055","0.0004","7.7143","0.0003","18.8681","0.0008","90","","93.576","0.004","90","","1395.4","0.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br2 O6 -","- C12 H12 Br2 O6 -","- C48 H48 Br8 O24 -","4","1","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0631","0.0448","","","0.104","0.1162","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516093","5.9676","0.0007","9.4094","0.0012","17.2733","0.0018","89.735","0.009","85.714","0.009","85.834","0.01","964.7","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H54 O12 -","- C40 H54 O12 -","- C40 H54 O12 -","1","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","1.54178","CuKα","","0.0531","0.0427","","","0.1101","0.12","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516094","6.1693","0.0007","9.7194","0.0011","11.3573","0.0013","67.533","0.011","80.008","0.01","86.414","0.009","619.77","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O8 -","- C32 H26 O8 -","- C32 H26 O8 -","1","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","0.71073","MoKα","","0.0952","0.0555","","","0.104","0.1279","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516095","5.946","0.0007","10.5168","0.001","12.6676","0.0015","81.198","0.009","80.39","0.009","81.904","0.008","766.41","0.15","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H38 O12 -","- C32 H38 O12 -","- C32 H38 O12 -","1","0.5","","Benniston, Andrew C.; Winstanley, Thomas P. L.; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.; Wills, Corinne","Large Stokes shift fluorescent dyes based on a highly substituted terephthalic acid core.","Organic letters","2012","14","6","1374","1377","10.1021/ol300038e","","","1.54178","CuKα","","0.046","0.0392","","","0.1033","0.1103","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516097","10.4253","0.0003","12.8651","0.0004","8.1381","0.0003","90","","109.962","0.002","90","","1025.92","0.06","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Barradas, Silvia; Hernández-Torres, Gloria; Urbano, Antonio; Carreño, M Carmen","Total synthesis of natural p-quinol cochinchinenone.","Organic letters","2012","14","23","5952","5955","10.1021/ol302858r","","","1.54178","","","0.0257","0.0255","","","0.068","0.0682","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516099","6.4088","0.0019","17.279","0.005","8.579","0.003","90","","101.67","0.006","90","","930.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","CuI/BF3·Et2O cocatalyzed aerobic dehydrogenative reactions of ketones with benzylamines: facile synthesis of substituted imidazoles.","Organic letters","2012","14","23","6068","6071","10.1021/ol302955u","","","0.7107","MoKα","","0.0486","0.0415","","","0.0934","0.0999","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516100","9.768","0.002","11.392","0.003","15.15","0.003","90","","97.216","0.006","90","","1672.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","CuI/BF3·Et2O cocatalyzed aerobic dehydrogenative reactions of ketones with benzylamines: facile synthesis of substituted imidazoles.","Organic letters","2012","14","23","6068","6071","10.1021/ol302955u","","","0.7107","MoKα","","0.0608","0.0533","","","0.1216","0.1265","","","","","","1.105","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516101","16.4332","0.0015","5.5136","0.0005","18.3321","0.0017","90","","106.549","0.0014","90","","1592.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","diphenyl","diphenyl","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Truong, Phong; Shanahan, Charles S.; Doyle, Michael P.","Divergent stereocontrol of acid catalyzed intramolecular aldol reactions of 2,3,7-triketoesters: synthesis of highly functionalized cyclopentanones.","Organic letters","2012","14","14","3608","3611","10.1021/ol301317a","","","0.71073","MoKα","","0.0416","0.0368","","","0.0762","0.0778","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516103","18.945","0.0007","8.6958","0.0004","20.3655","0.0008","90","","90","","90","","3355.1","0.2","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H24 N2 O -","- C18 H24 N2 O -","- C144 H192 N16 O8 -","8","1","","Zhao, Shu-Bin; Bilodeau, Eric; Lemieux, Valérie; Beauchemin, André M","Hydrogen bonding directed intermolecular Cope-type hydroamination of alkenes.","Organic letters","2012","14","19","5082","5085","10.1021/ol3023177","","","0.71073","MoKα","","0.103","0.0863","","","0.2444","0.2651","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516104","10.0293","0.0006","16.6704","0.0009","17.4029","0.001","70.567","0.001","76.603","0.001","78.855","0.001","2647.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 Cl N O4 S -","- C30 H28 Cl N O4 S -","- C120 H112 Cl4 N4 O16 S4 -","4","2","","Hu, Jian; Tian, Bing; Wu, Xinyan; Tong, Xiaofeng","Tertiary amine-triggered cascade S(N)2/cycloaddition: an efficient construction of complex azaheterocycles under mild conditions.","Organic letters","2012","14","19","5074","5077","10.1021/ol302329b","","","0.71073","MoKα","","0.0667","0.0489","","","0.1327","0.1476","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516105","11.618","0.003","12.024","0.003","16.15","0.004","90","","110.574","0.004","90","","2112.2","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C88 H104 N8 O24 -","4","1","","Villa, Reymundo A.; Xu, Qihai; Kwon, Ohyun","Total synthesis of (±)-hirsutine: application of phosphine-catalyzed imine-allene [4 + 2] annulation.","Organic letters","2012","14","17","4634","4637","10.1021/ol302077n","","","0.71073","MoKα","","0.1738","0.0787","","","0.1807","0.2301","","","","","","1.011","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1518734","8.7862","0.0002","16.6613","0.0003","11.1995","0.0003","90","","112.702","0.003","90","","1512.47","0.07","123","0.14","123","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-1-(naphthalen-2-yl)-2-phenylpropan-1-one","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Sun, Qiu; Yao, Chang Jiang; König, Burkhard","A triphenylphosphine mediated photo-rearrangement and methanol addition of aryl chalcones to 1-propanones.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2015","14","5","948","952","10.1039/c5pp00009b","","x-ray","1.54184","CuKα","","0.039","0.0356","","","0.0925","0.0957","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1519453","40.701","0.012","11.574","0.002","23.897","0.005","90","","125.863","0.009","90","","9123","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H57 N3 O6 -","- C45 H45 N3 O3 -","- C360 H360 N24 O24 -","8","1","","Bregnhøj, Mikkel; Pimenta, Frederico M.; Poronik, Yevgen M.; Gryko, Daniel T.; Ogilby, Peter R.","Subtle structural changes in octupolar merocyanine dyes influence the photosensitized production of singlet oxygen.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2015","14","6","1138","1146","10.1039/c5pp00080g","","","1.54178","CuKα","","0.1872","0.0737","","","0.151","0.1843","","","","","","0.833","","","","has coordinates","138871","2020-10-21","18:00:00",""
"1520794","9.8799","","10.2801","","9.8764","","90","","90.113","","90","","1003.11","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ca2.89 (Al5.84 Si10.16 O32) (H2 O)16.32","","- Al5.84 Ca2.89 H32.64 O48.32 Si10.16 -","- Al5.84 Ca2.88 O48.32 Si10.16 -","- Al5.84 Ca2.88 O48.32 Si10.16 -","1","0.125","","Artioli, G.; Marchi, M.","On the space group of garronite","Powder Diffraction","1999","14","","190","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520939","5.692","","5.692","","13.785","","90","","90","","120","","386.783","","","","","","","","","","","","","7","P -3 m 1","-P 3 2""","164","","Mg2 (Zn0.68 Fe0.26 Al1.06) (Sn1.21 Fe0.79) Al9.71 O22 (O H)2","","- Al10.77 Fe1.05 H2 Mg2 O24 Sn1.21 Zn0.68 -","- Al10.769 Fe1.05 Mg2 O24 Sn1.21 Zn0.68 -","- Al10.769 Fe1.05 Mg2 O24 Sn1.21 Zn0.68 -","1","0.0833333","","Chen, J.-Z.; Shi, Y.-C.; Pan, Z.-L.; Peng, Z.-Z.","The crystal structure and crystal chemistry of a new mineral, pengzhizongite-6H","Diqiu Kexue","1989","14","","413","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520982","17.579","","17.509","","7.788","","90","","90","","90","","2397.07","","","","","","","","","","","","","4","C m m 2","C 2 -2","35","","Sr6 (Sn2 Nb8 O30)","","- Nb8 O30 Sn2 Sr6 -","- Nb7.9997 O30 Sn2.0003 Sr6 -","- Nb31.9988 O120 Sn8.0012 Sr24 -","4","0.5","","Fang, L.; Wu, B.-L.; Zhang, H.; Yuan, R.-Z.","Synthesis and crystal structure of a new compound Sr6 Sn2 Nb8 O30","Journal of Wuhan University of Technology","1999","14","","35","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","140595","2020-10-21","18:00:00",""
"1521062","24.47559","","6.7516","","5.4572","","90","","90","","90","","901.799","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Mo4 O11 -","- Mo4 O11 -","- Mo16 O44 -","4","1","","Fun, H.-K.; Yang, P.; Sasaki, M.; Inoue, M.; Kadomatsu, H.","Rietveld refinement of the crystal structure of gamma-(Mo4 O11)","Powder Diffraction","1999","14","","284","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521294","10.032","","10.032","","10.032","","90","","90","","90","","1009.63","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","(Cu3 (Co (C N)6)2)1.333 (H2 O)15.333","","- C15.996 H30.666 Co2.666 Cu3.999 N15.996 O15.333 -","- C16.0008 Co2.6668 Cu4 N16.0008 O15.3316 -","- C16.0008 Co2.6668 Cu4 N16.0008 O15.3316 -","1","0.00520833","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me3 (Co (C N)6)2 and K Me (Fe (C N)6) with Me = Mn(2+), Ni(2+), Cu(2+)","Powder Diffraction","1999","14","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","141026","2020-10-21","18:00:00",""
"1521295","10.413","","10.413","","10.413","","90","","90","","90","","1129.09","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","(Mn3 (Co (C N)6)2)1.333 (H2 O)15.333","","- C15.996 H30.666 Co2.666 Mn3.999 N15.996 O15.333 -","- C16.0008 Co2.6668 Mn4 N16.0008 O15.3316 -","- C16.0008 Co2.6668 Mn4 N16.0008 O15.3316 -","1","0.00520833","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me3 (Co (C N)6)2 and K Me (Fe (C N)6) with Me = Mn(2+), Ni(2+), Cu(2+)","Powder Diffraction","1999","14","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","141027","2020-10-21","18:00:00",""
"1521296","10.108","","10.104","","10.114","","90","","92.93","","90","","1031.6","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","K Mn (Fe (C N)6) (H2 O)","","- C6 H2 Fe K Mn N6 O -","- C6 Fe K Mn N6 O -","- C24 Fe4 K4 Mn4 N24 O4 -","4","1","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me3 (Co (C N)6)2 and K Me (Fe (C N)6) with Me = Mn(2+), Ni(2+), Cu(2+)","Powder Diffraction","1999","14","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521313","9.1878","","9.1878","","9.1878","","68.458","","68.458","","68.458","","646.373","","","","","","","","","","","","","4","R -3 :R","-P 3*","148","","La2 Ti10.26 Ga9.63 O38","","- Ga9.63 La2 O38 Ti10.26 -","- Ga9.64 La2 O38 Ti10.26 -","- Ga9.64 La2 O38 Ti10.26 -","1","0.166667","","Meden, A.; Skapin, S.; Kolar, D.","Crystal structure and powder data of davidite-type La2 Ti10.27 Ga9.63 O38","Powder Diffraction","1999","14","","36","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521747","3.22","","3.22","","3.027","","90","","90","","120","","27.18","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Pb.26 Sn.74)","","- Pb0.26 Sn0.74 -","- Pb0.26 Sn0.74 -","- Pb0.52 Sn1.48 -","2","0.0833333","","Kane, R.H.; Giessen, B.C.; Grant, N.J.","New metastable phase in binary tin alloy systems","Acta Metallurgica","1966","14","","605","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","141961","2020-10-21","18:00:00",""
"1521749","3.215","","3.215","","2.979","","90","","90","","120","","26.666","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Pd0.08 Sn0.92)","","- Pd0.08 Sn0.92 -","- Pd0.08 Sn0.92 -","- Pd0.16 Sn1.84 -","2","0.0833333","","Kane, R.H.; Giessen, B.C.; Grant, N.J.","New metastable phases in binary tin alloy systems","Acta Metallurgica","1966","14","","605","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","141963","2020-10-21","18:00:00",""
"1521766","3.3505","","3.3505","","57.863","","90","","90","","120","","562.537","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(In0.58 Y0.42) (Zn0.83 In0.17)6 O8","","- In1.6 O8 Y0.42 Zn4.98 -","- In1.6 O8 Y0.42 Zn4.98 -","- In4.8 O24 Y1.26 Zn14.94 -","3","0.0833333","","Pitschke, W.; Koumoto, K.","Powder diffraction data and Rietveld refinement for Y-doped (Zn O)5In2 O3","Powder Diffraction","1999","14","","213","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","141980","2020-10-21","18:00:00",""
"1521831","11.588","","4.579","","5.059","","90","","97.746","","90","","265.988","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Fe5 C2","","- C2 Fe5 -","- C2 Fe5 -","- C8 Fe20 -","4","0.5","","Retief, J.J.","Powder diffraction data and Rietveld refinement of Haegg-carbide, chi-(Fe5 C2)","Powder Diffraction","1999","14","","130","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","142047","2020-10-21","18:00:00",""
"1522029","9.924","","8.954","","5.198","","90","","90","","90","","461.892","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","U F6","","- F6 U -","- F6 U -","- F24 U4 -","4","0.5","","Taylor, J.C.; Wilson, P.W.","The Structures of Fluorides X. Neutron Powder Diffraction Profile of U F6 at 193 K and 293 K","Journal of Solid State Chemistry","1975","14","","378","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522193","9.7477","","9.7477","","11.8791","","90","","90","","120","","977.504","","","","","","","","","","","","","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","","Wong-Ng, W.; Young, R.A.; Kaduk, J.A.; Jiang, F.; Swartzendruber, L.J.; Brown, H.J.","Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement","Powder Diffraction","1999","14","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522195","9.724","","9.724","","11.5214","","90","","90","","120","","943.465","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(Sr3.15 Ca0.85) Pt O6","","- Ca0.85 O6 Pt Sr3.15 -","- Ca0.85 O6 Pt Sr3.15 -","- Ca5.1 O36 Pt6 Sr18.9 -","6","0.166667","","Wong-Ng, W.; Swartzendruber, L.J.; Kaduk, J.A.; Brown, H.J.; Young, R.A.; Jiang, F.","Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement","Powder Diffraction","1999","14","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522197","9.6153","","9.6153","","11.4284","","90","","90","","120","","915.044","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(Sr2.145 Ca1.855) Pt O6","","- Ca1.855 O6 Pt Sr2.145 -","- Ca1.855 O6 Pt Sr2.145 -","- Ca11.13 O36 Pt6 Sr12.87 -","6","0.166667","","Wong-Ng, W.; Kaduk, J.A.; Young, R.A.; Jiang, F.; Swartzendruber, L.J.; Brown, H.J.","Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement","Powder Diffraction","1999","14","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522199","9.478","","9.478","","11.3301","","90","","90","","120","","881.45","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(Sr1.094 Ca2.906) Pt O6","","- Ca2.906 O6 Pt Sr1.094 -","- Ca2.906 O6 Pt Sr1.094 -","- Ca17.436 O36 Pt6 Sr6.564 -","6","0.166667","","Wong-Ng, W.; Brown, H.J.; Kaduk, J.A.; Jiang, F.; Young, R.A.; Swartzendruber, L.J.","Investigation of (Sr4-d Cad) Pt O6 using X-ray Rietveld refinement","Powder Diffraction","1999","14","","181","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522332","8.16528","","8.16528","","8.16528","","90","","90","","90","","544.394","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Gd Ba4 Cu3 O9.18","","- Ba4 Cu3 Gd O9.18 -","- Ba4 Cu3 Gd O9.18 -","- Ba8 Cu6 Gd2 O18.36 -","2","0.0833333","","Zhu, Y.T.; Mueller, F.M.; Peterson, E.J.; Baldonado, P.S.; Coulter, J.Y.; Peterson, D.E.","Synthesis and crystal chemistry of the new compounds Gd Ba4 Cu3 O8.5+d and Dy Ba4 Cu3 O8.5+d","Journal of Materials Research","1999","14","","334","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522334","8.10807","","8.10807","","8.10807","","90","","90","","90","","533.031","","","","","","","","","","","","","4","P 2 3","P 2 2 3","195","","Dy Ba4 Cu3 O9.09","","- Ba4 Cu3 Dy O9.09 -","- Ba4 Cu3 Dy O9.09 -","- Ba8 Cu6 Dy2 O18.18 -","2","0.166667","","Zhu, Y.T.; Coulter, J.Y.; Peterson, E.J.; Baldonado, P.S.; Mueller, F.M.; Peterson, D.E.","Synthesis and crystal chemistry of the new compounds Gd Ba4 Cu3 O8.5+d and Dy Ba4 Cu3 O8.5+d","Journal of Materials Research","1999","14","","334","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522488","6.263","","6.263","","6.263","","90","","90","","90","","245.667","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Mn Pt Sn -","- Mn Pt Sn -","- Mn4 Pt4 Sn4 -","4","0.0416667","","Masumoto, Hakaru; Watanabe, Kiyoshi","An Intermetallic Fluorite-Type Compound PtMnSn in the Pt-Mn-Sn System and its Magnetic Properties","Transactions of the Japan Institute of Metals","1973","14","5","408","414","10.2320/matertrans1960.14.408","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522880","2.91","","2.91","","2.91","","90","","90","","90","","24.642","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Fe V -","- Fe V -","- Fe V -","1","0.0208333","","Seki, J.I.; Hagiwara, M.; Suzuki, T.","Metastable order-disorder transition and sigma-phase formation in Fe-V binary alloys","Journal of Materials Science","1979","14","","2404","2410","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522968","6.332","","6.332","","6.332","","90","","90","","90","","253.877","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Mn Pb Rh2 -","- Mn Pb Rh2 -","- Mn4 Pb4 Rh8 -","4","0.0208333","","Suits, J.C.","New magnetic compounds with Heusler and Heusler-related structures","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1976","14","","4131","4135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522969","3.028","","3.028","","3.028","","90","","90","","90","","27.763","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Ga0.5 Mn0.5) Rh","","- Ga0.5 Mn0.5 Rh -","- Ga0.5 Mn0.5 Rh -","- Ga0.5 Mn0.5 Rh -","1","0.0208333","","Suits, J.C.","New magnetic compounds with Heusler and Heusler-related structures","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1976","14","","4131","4135","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522970","6.252","","6.252","","6.252","","90","","90","","90","","244.375","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Mn Rh2 Sn -","- Mn Rh2 Sn -","- Mn4 Rh8 Sn4 -","4","0.0208333","","Suits, J.C.","New magnetic compounds with Heusler and Heusler-related structures","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1976","14","","4131","4135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522971","3.162","","3.162","","3.162","","90","","90","","90","","31.614","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Mn0.5 Tl0.5) Rh","","- Mn0.5 Rh Tl0.5 -","- Mn0.5 Rh Tl0.5 -","- Mn0.5 Rh Tl0.5 -","1","0.0208333","","Suits, J.C.","New magnetic compounds with Heusler and Heusler-related structures","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1976","14","","4131","4135","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523154","3.2345","","3.2345","","3.2345","","90","","90","","90","","33.839","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Mo Ta -","- Mo Ta -","- Mo Ta -","1","0.0104167","","van Torne, L.I.; Thomas, G.","Structure and mechanical properties of Ta-Mo alloy single crystals","Acta Metallurgica","1966","14","","621","635","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523699","6.96","","4.11","","5.4","","90","","90","","90","","154.47","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ni Tm -","- Ni Tm -","- Ni4 Tm4 -","4","0.5","","Gignoux, D.; Rossat-Mignod, J.; Tcheou, F.","Magnetic structure of the Tm Ni compound crystal field effect","Physica Status Solidi, Sectio A: Applied Research","1972","14","","483","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523953","9.963","","9.963","","2.916","","90","","90","","90","","289.446","","","","","","","","","","","","","3","I 4/m","-I 4","87","","K2 V8 O16","","- K2 O16 V8 -","- K2 O16 V8 -","- K2 O16 V8 -","1","0.0625","","Abriel, W.; Range, K.J.; Rau, F.","New compounds A(2-x) V8 O16 (A = K, Tl) with Hollandite type structure","Materials Research Bulletin","1979","14","","1463","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","144583","2020-10-21","18:00:00",""
"1523954","10.064","","10.064","","2.899","","90","","90","","90","","293.623","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Tl1.74 V8 O16","","- O16 Tl1.74 V8 -","- O16 Tl1.74 V8 -","- O16 Tl1.74 V8 -","1","0.0625","","Abriel, W.; Rau, F.; Range, K.J.","New compounds A(2-x) V8 O16 (A = K, Tl) with Hollandite type structure","Materials Research Bulletin","1979","14","","1463","1468","","","","","","","","","","","","","","","","","","","","","","has coordinates","144584","2020-10-21","18:00:00",""
"1523967","3.8316","","3.8316","","6.0028","","90","","90","","120","","76.321","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Nd2 O3","","- Nd O3 -","- Nd2 O3 -","- Nd2 O3 -","1","0.0416667","","Aldebert, P.; Traverse, J.P.","Etude par diffraction neutronique des structures de haute temperature de La2 O3 et Nd2 O3","Materials Research Bulletin","1979","14","","303","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523968","4.057","","4.057","","6.43","","90","","90","","120","","91.654","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","La2 O3","","- La O3 -","- La2 O3 -","- La2 O3 -","1","0.0416667","","Aldebert, P.; Traverse, J.P.","Etude par diffraction neutronique des structures de haute temperature de La2 O3 et Nd2 O3","Materials Research Bulletin","1979","14","","303","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523969","4.41","","4.41","","4.41","","90","","90","","90","","85.766","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Nd2 O3 -","- Nd2 O3 -","- Nd2 O3 -","1","0.0104167","","Aldebert, P.; Traverse, J.P.","Etude par dffraction neutronique des structures de haute temperature de La2 O3 et Nd2 O3","Materials Research Bulletin","1979","14","","303","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523975","10.235","","7.946","","13.977","","90","","90","","90","","1136.71","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 (Cd Br4)","","- Br4 Cd Cs2 -","- Br4 Cd Cs2 -","- Br16 Cd4 Cs8 -","4","0.5","","Altermatt, D.; Arend, H.; Petter, W.; Niggli, A.","New tetrahedrally coordinated A2 Cd Br4 compounds (A = Cs, (C H3), (N H3))","Materials Research Bulletin","1979","14","","1391","1396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524041","10.967","","10.967","","7.79","","90","","90","","120","","811.416","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Ba10 (Re O5)6 Br2","","- Ba10 Br2 O30 Re6 -","- Ba10 Br2 O30 Re6 -","- Ba10 Br2 O30 Re6 -","1","0.0833333","","Baud, G.; Besse, J.P.; Smeur, G.; Chevalier, R.","Structure de nouvelles Apatites au rhenium contenant des anions voluminaux: Ba10 (RE O5)6 X2 (X = Br, I)","Materials Research Bulletin","1979","14","","675","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1524042","10.932","","10.932","","7.776","","90","","90","","120","","804.797","","","","","","","","","","","","","5","P 63 c m","P 6c -2","185","","Ba10 (Re O5)6 I0.77 (O H)1.23","","- Ba10 H1.23 I0.77 O31.23 Re6 -","- Ba10 I0.77 O31.23 Re6 -","- Ba10 I0.77 O31.23 Re6 -","1","0.0833333","","Baud, G.; Besse, J.P.; Smeur, G.; Chevalier, R.","Structure de nouvelles Apatites au rhenium contenant des anions voluminaux: Ba10 (RE O5)6 X2 (X = Br, I)","Materials Research Bulletin","1979","14","","675","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524081","11","","11","","5.652","","90","","90","","90","","683.892","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Nd2 Re3 Si5 -","- Nd2 Re3 Si5 -","- Nd8 Re12 Si20 -","4","0.25","","Bodak, O.I.; Pecharskii, V.K.; Gladyshevskii, E.I.","The system Y-Re-Si and the crystal structures of some new ternary rare earth compounds","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1978","14","","250","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524132","5.002","","5.002","","3.964","","90","","90","","120","","85.892","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Co5 Sm -","- Co5 Sm -","- Co5 Sm -","1","0.0416667","","Buschow, K.H.J.; van der Goot, A.S.","Intermetallic compounds in the system samarium-cobalt","Journal of the Less-Common Metals","1968","14","","323","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524179","9.888","","9.888","","9.121","","90","","90","","90","","891.783","","","","","","","","","","","","","4","P 4","P 4","75","","Ba3.685 Ru14.685 Cr7.315 O44","","- Ba3.685 Cr7.315 O44 Ru14.685 -","- Ba3.6848 Cr7.3152 O44 Ru14.6848 -","- Ba3.6848 Cr7.3152 O44 Ru14.6848 -","1","0.25","","Cadee, M.C.; Prodan, A.","Tripeling of the short axis in the Hollandite structure","Materials Research Bulletin","1979","14","","613","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","144862","2020-10-21","18:00:00",""
"1524203","15.707","","9.231","","18.204","","90","","125.25","","90","","2155.46","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Fe2 (Mo O4)3","","- Fe2 Mo3 O12 -","- Fe2 Mo3 O12 -","- Fe16 Mo24 O96 -","8","2","","Chen, H.-Y.","The crystal structure and twinning behavior of ferric molybdate Fe2 (Mo O4)3","Materials Research Bulletin","1979","14","","1583","1590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524206","8.87","","5.54","","7.15","","90","","90","","90","","351.35","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ba S O4","","- Ba O2 S -","- Ba O2 S -","- Ba4 O8 S4 -","4","0.5","","Chia, H.C.; Yu, F.C.; Chin, C.S.","Determination of Oxygen Position in the Structure of Barite by Means of Single-Crystal Neutron Diffraction","Scientia Sinica","1965","14","","1541","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1524558","20.64999","","7.779","","6.902","","90","","90","","90","","1108.71","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K5 Li2 Nd F10","","- F10 K5 Li2 Nd -","- F10 K5 Li2 Nd -","- F40 K20 Li8 Nd4 -","4","0.5","","Hong, H.Y.-P.; McCollum, B.C.","Crystal structure of K5 Nd Li2 F10","Materials Research Bulletin","1979","14","","137","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524648","4.224","","4.224","","5.208","","90","","90","","120","","80.473","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Cu Ni) In","","- Cu In Ni -","- Cu In Ni -","- Cu2 In2 Ni2 -","2","0.0833333","","Kalyana Raman, R.S.; Gupta, R.K.; Sujir, M.N.; Bhan, S.","Lattice constants of B8-structure in Cu2 In - Ni2 In alloys","Journal of Scientific Research of the Banaras Hindu University","1964","14","","95","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524689","7.3869","","7.3869","","7.5101","","90","","90","","120","","354.896","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","K0.2167 W O3","","- K0.2167 O3 W -","- K0.216667 O3 W -","- K1.3 O18 W6 -","6","0.25","","Kihlborg, L.; Hussain, A.","Alkali metal location and tungsten off-center displacement in hexagonal potassium and cesium tungsten bronzes","Materials Research Bulletin","1979","14","","667","674","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524690","7.3835","","7.3835","","7.5007","","90","","90","","120","","354.125","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","K0.183 W O3","","- K0.183 O3 W -","- K0.183333 O3 W -","- K1.1 O18 W6 -","6","0.25","","Kihlborg, L.; Hussain, A.","Alkali metal location and tungsten off-center displacement in hexagonal potassium and cesium tungsten bronzes","Materials Research Bulletin","1979","14","","667","674","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524691","7.4203","","7.4203","","7.5674","","90","","90","","120","","360.845","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Cs0.20 W O3","","- Cs0.22 O3 W -","- Cs0.22 O3 W -","- Cs1.32 O18 W6 -","6","0.25","","Kihlborg, L.; Hussain, A.","Alkali metal location and tungsten off-center displacement in hexagonal potassium and cesium tungsten bronzes","Materials Research Bulletin","1979","14","","667","674","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524692","7.4116","","7.4116","","7.5981","","90","","90","","120","","361.459","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Cs0.32 W O3","","- Cs0.32 O3 W -","- Cs0.323333 O3 W -","- Cs1.94 O18 W6 -","6","0.25","","Kihlborg, L.; Hussain, A.","Alkali metal location and tungsten off-center displacement in hexagonal potassium and cesium tungsten bronzes","Materials Research Bulletin","1979","14","","667","674","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524799","10.713","","12.817","","5.909","","90","","90","","90","","811.356","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pb3 Zr F10","","- F10 Pb3 Zr -","- F10 Pb3 Zr -","- F40 Pb12 Zr4 -","4","0.25","","Laval, J.P.; Frit, B.","Une nouvelle structure ordonnee derivee de la fluorine: Pb3 Zr F10","Materials Research Bulletin","1979","14","","1517","1524","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524845","7.3001","","7.3001","","7.3001","","90","","90","","90","","389.033","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Co Ni) Pr","","- Co Ni Pr -","- Co Ni Pr -","- Co8 Ni8 Pr8 -","8","0.0416667","","Mansey, R.C.; Raynor, G.V.; Harris, I.R.","Rare earth intermediate phases. VI. Pseudobinary-systems between cubic Laves phases formed by rare-earth metals with Fe, Co, Ni, Al and Rh","Journal of the Less-Common Metals","1968","14","","337","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524846","7.2326","","7.2326","","7.2326","","90","","90","","90","","378.341","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Er Fe Ni -","- Er Fe Ni -","- Er8 Fe8 Ni8 -","8","0.0416667","","Mansey, R.C.; Raynor, G.V.; Harris, I.R.","Rare eath intermediate phases. VI. Pseudo-binary systems between cubic Laves phases formed by rare earth metals with Fe, Co, Ni, Al, Rh","Journal of the Less-Common Metals","1968","14","","337","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524847","7.236","","7.236","","7.236","","90","","90","","90","","378.875","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ce (Co Fe)","","- Ce Co Fe -","- Ce Co Fe -","- Ce8 Co8 Fe8 -","8","0.0416667","","Mansey, R.C.; Raynor, G.V.; Harris, I.R.","Rare earth intermediate phases. VI. Pseudo-binary systems between cubic Laves phases formed by rare-earth metals with iron, cobalt, nickel, aluminum and rhodium","Journal of the Less-Common Metals","1968","14","","337","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524848","7.1735","","7.1735","","7.1735","","90","","90","","90","","369.142","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ce (Co Ni)","","- Ce Co Ni -","- Ce Co Ni -","- Ce8 Co8 Ni8 -","8","0.0416667","","Mansey, R.C.; Raynor, G.V.; Harris, I.R.","Rare earth intermediate phases. VI. Pseudo-binary systems between cubic Laves phases formed by rare-earth metals with iron, cobalt, nickel, aluminum and rhodium","Journal of the Less-Common Metals","1968","14","","337","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524849","7.354","","7.354","","7.354","","90","","90","","90","","397.714","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ce (Co Rh)","","- Ce Co Rh -","- Ce Co Rh -","- Ce8 Co8 Rh8 -","8","0.0416667","","Mansey, R.C.; Raynor, G.V.; Harris, I.R.","Rare earth intermediate phases. VI. Pseudo-binary systems between cubic Laves phases formed by rare-earth metals with iron, cobalt, nickel, aluminum and rhodium","Journal of the Less-Common Metals","1968","14","","337","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524850","7.234","","7.234","","7.234","","90","","90","","90","","378.561","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ce (Fe Ni)","","- Ce Fe Ni -","- Ce Fe1.08 Ni0.92 -","- Ce8 Fe8.64 Ni7.36 -","8","0.0416667","","Mansey, R.C.; Raynor, G.V.; Harris, I.R.","Rare-earth intermediate phases. VI. Pseudobinary systems between cubic Laves phases formed by rare-earth metals with Fe, Co, Ni, Al and Rh","Journal of the Less-Common Metals","1968","14","","337","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524851","7.401","","7.401","","7.401","","90","","90","","90","","405.388","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Co Fe) Pr","","- Co Fe Pr -","- Co Fe Pr -","- Co8 Fe8 Pr8 -","8","0.0416667","","Mansey, R.C.; Raynor, G.V.; Harris, I.R.","Rare earth intermediate phases. VI. Pseudobinary-systems between cubic Laves phases formed by rare-earth metals with Fe, Co, Ni, Al and Rh","Journal of the Less-Common Metals","1968","14","","337","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525046","7.635","","7.635","","14.035","","90","","90","","90","","818.145","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Dy5 Ga3 -","- Dy5 Ga3 -","- Dy20 Ga12 -","4","0.125","","Palenzona, A.; Franceschi, E.","The crystal structure of rare-earth gallides (RE5 Ga3)","Journal of the Less-Common Metals","1968","14","","47","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525047","8.495","","8.495","","6.389","","90","","90","","120","","399.292","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Er5 Ga3 -","- Er5 Ga3 -","- Er10 Ga6 -","2","0.0833333","","Palenzona, A.; Franceschi, E.","The crystal structure of rare earth gallides (RE5 Ga3)","Journal of the Less-Common Metals","1968","14","","47","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525050","7.159","","9.19","","8.809","","90","","99.66","","90","","571.337","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cs Pr (P O3)4","","- Cs O12 P4 Pr -","- Cs O12 P4 Pr -","- Cs2 O24 P8 Pr2 -","2","1","","Palkina, K.K.; Maksimova, S.I.; Kuznetsov, V.G.","Crystal structure of Cs Pr (P O3)4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1978","14","","284","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525071","6.503","","6.503","","6.503","","94.43","","94.43","","94.43","","272.405","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Mo6 S6 Br2","","- Br2 Mo6 S6 -","- Br2 Mo6 S6 -","- Br2 Mo6 S6 -","1","0.166667","","Perrin, C.; Chevrel, R.; Sergent, M.; Fischer, O.","Etude structurale d'un thiohalogenure supraconducteur derivant du Mo(II): Mo6 S6 Br2","Materials Research Bulletin","1979","14","","1505","1515","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525111","3.98","","3.98","","3.98","","90","","90","","90","","63.045","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cd0.28 Pd0.72 -","- Cd0.28 Pd0.72 -","- Cd1.12 Pd2.88 -","4","0.0208333","","Pratt, J.N.; Mueller, M.H.; Darby, J.B.jr.; Myles, K.M.","X-ray studies of Pd-Cd and Pd-Sb alloys","Journal of the Less-Common Metals","1968","14","","427","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525114","3.552","","3.552","","3.552","","90","","90","","90","","44.815","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Cr Ni3)","","- Cr Ni3 -","- Cr Ni3 -","- Cr Ni3 -","1","0.00520833","","Progrushchenko, A.V.; Lebedev, Yu.M.","X-ray stuy of heat expansion of nickel-chromium alloys","Ukrains'kii Fizichnii Zhurnal (Russian Edition)","1969","14","","282","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525118","7.385","","7.385","","7.53","","90","","90","","120","","355.653","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","K0.26 W O3","","- K0.26 O3 W -","- K0.26 O3 W -","- K1.56 O18 W6 -","6","0.5","","Pye, M.F.; Dickens, P.G.","A structural study of the hexagonal potassium tungsten bronze, K0.26 W O3","Materials Research Bulletin","1979","14","","1397","1402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525183","4.143","","4.143","","7.034","","90","","90","","120","","104.559","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Eu Mn2 P2 -","- Eu Mn2 P2 -","- Eu Mn2 P2 -","1","0.0833333","","Ruehl, R.; Jeitschko, W.","New pnictides with Ce2 O2 S - type structure","Materials Research Bulletin","1979","14","","513","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525184","4.287","","4.287","","7.225","","90","","90","","120","","114.994","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Eu Mn2 As2","","- As2 Eu Mn2 -","- As2 Eu Mn2 -","- As2 Eu Mn2 -","1","0.0833333","","Ruehl, R.; Jeitschko, W.","New pnictides with Ce2 O2 S - type structure","Materials Research Bulletin","1979","14","","513","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525185","4.57","","4.57","","7.66","","90","","90","","120","","138.545","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Eu Mn2 Sb2 -","- Eu Mn2 Sb2 -","- Eu Mn2 Sb2 -","1","0.0833333","","Ruehl, R.; Jeitschko, W.","New pnictides with Ce2 O2 S - type structure","Materials Research Bulletin","1979","14","","513","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525186","4.226","","4.226","","6.964","","90","","90","","120","","107.708","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Yb Mn2 As2","","- As2 Mn2 Yb -","- As2 Mn2 Yb -","- As2 Mn2 Yb -","1","0.0833333","","Ruehl, R.; Jeitschko, W.","New pnictides with Ce2 O2 S - type structure","Materials Research Bulletin","1979","14","","513","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525187","4.522","","4.522","","7.439","","90","","90","","120","","131.737","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Yb Mn2 Sb2","","- Mn2 Sb2 Yb -","- Mn2 Sb2 Yb -","- Mn2 Sb2 Yb -","1","0.0833333","","Ruehl, R.; Jeitschko, W.","New pnictides with Ce2 O2 S - type structure","Materials Research Bulletin","1979","14","","513","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525195","9.12","","9.12","","21.81","","90","","90","","120","","1571","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Na4.50 Yb1.50 (P O4)3","","- Na4.5 O12 P3 Yb1.5 -","- Na4.5 O12 P3 Yb1.5 -","- Na27 O72 P18 Yb9 -","6","0.166667","","Salmon, R.; Parent, C.; Vlasse, M.; le Flem, G.","The sodium ytterbium orthophosphate Na3(1+x) Yb(2-x) (P O4)3","Materials Research Bulletin","1979","14","","85","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","146110","2020-10-21","18:00:00",""
"1525209","3.088","","4.515","","4.391","","90","","90","","90","","61.221","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","Fe Ti D1.37","","- D1.37 Fe Ti -","- D1.37 Fe Ti -","- D2.74 Fe2 Ti2 -","2","0.5","","Schefer, J.; Andresen, A.F.; Fischer, P.; Haelg, W.; Schlapbach, L.; Stucki, F.","Structural phase transitions of Fe Ti - deuterides","Materials Research Bulletin","1979","14","","1281","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525210","4.706","","2.8347","","4.697","","90","","96.93","","90","","62.201","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Fe Ti D1.73","","- D1.73 Fe Ti -","- D1.73 Fe Ti -","- D3.46 Fe2 Ti2 -","2","0.5","","Schefer, J.; Schlapbach, L.; Fischer, P.; Haelg, W.; Stucki, F.; Andresen, A.F.","Structural phase transitions of Fe Ti - deuterides","Materials Research Bulletin","1979","14","","1281","1294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525215","17.92","","20.31","","7.48","","90","","90","","90","","2722.39","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Na7.3 K0.2 (Al8.3 Si39.9 O96)","","- Al8.3 K0.2 Na7.3 O96 Si39.9 -","- Al8.112 Na7.2 O96 Si39.888 -","- Al8.112 Na7.2 O96 Si39.888 -","1","0.125","","Schlenker, J.L.; Pluth, J.J.; Smith, J.V.","Positions of cations and molecules in zeolites with the mordenite-type framework. VIII Dehydrated sodium-exchanged mordenite","Materials Research Bulletin","1979","14","","751","758","","","","","","","","","","","","","","","","","","","","","","has coordinates","146135","2020-10-21","18:00:00",""
"1525216","18.178","","20.394","","7.488","","90","","90","","90","","2775.97","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Na0.6 H7.9 (Al8.5 Si39.5 O96)","","- Al8.5 H7.9 Na0.6 O96 Si39.5 -","- Al8.5008 Na0.6 O96 Si39.4992 -","- Al8.5008 Na0.6 O96 Si39.4992 -","1","0.0625","","Schlenker, J.L.; Pluth, J.J.; Smith, J.V.","Positions of cations and molecules in zeolites with the mordenite framework. IX. Dehydrated H-mordenite via acid exchange","Materials Research Bulletin","1979","14","","849","856","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525394","10.501","","10.501","","10.501","","90","","90","","90","","1157.96","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Fe Sc2 S4","","- Fe S4 Sc2 -","- Fe S4 Sc2 -","- Fe8 S32 Sc16 -","8","0.0416667","","Tomas, P.A.; Guittard, M.; Rigoult, J.; Bachet, B.","Etude cristallographique du systeme Fe S - Sc2 S3. Preparations et structures de Fe Sc2 S4 et Fe0.85 Sc2.10 S4","Materials Research Bulletin","1979","14","","249","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525395","10.444","","10.444","","10.444","","90","","90","","90","","1139.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Fe0.85 Sc2.10 S4","","- Fe0.85 S4 Sc2.1 -","- Fe0.85 S4 Sc2.1 -","- Fe6.8 S32 Sc16.8 -","8","0.0416667","","Tomas, P.A.; Guittard, M.; Bachet, B.; Rigoult, J.","Etude cristallographique du systeme Fe S - Sc2 S3. Preparations et structures de Fe Sc2 S4 et Fe0.85 Sc2.10 S4","Materials Research Bulletin","1979","14","","249","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","146352","2020-10-21","18:00:00",""
"1525427","5.229","","5.229","","11.013","","90","","90","","90","","301.122","","","","","","","","","","","","","4","I -4 m 2","I -4 -2","119","","Li2 Ca U F8","","- Ca F8 Li2 U -","- Ca F8 Li2 U -","- Ca2 F16 Li4 U2 -","2","0.125","","Vedrine, A.; Trottier, D.; Cousseins, J.C.; Chevalier, R.","Crystal structure of Li2 Ca U F8","Materials Research Bulletin","1979","14","","583","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525434","13.109","","13.109","","3.88","","90","","90","","120","","577.433","","","","","","","","","","","","","4","P -6","P -6","174","","K6 Ta6.5 O14.5 F9.5","","- F9.5 K6 O14.5 Ta6.5 -","- F9.504 K6 O14.496 Ta6.5 -","- F9.504 K6 O14.496 Ta6.5 -","1","0.166667","","Vlasse, M.; Boukhari, A.; Chaminade, J.P.; Pouchard, M.","Crystal structure of potassium tantalum oxyfluoride K6 Ta6.5 O14.5 F9.5","Materials Research Bulletin","1979","14","","101","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","146393","2020-10-21","18:00:00",""
"1525435","5.167","","5.147","","5.248","","90","","99.7","","90","","137.573","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sc O F","","- F O Sc -","- F O Sc -","- F4 O4 Sc4 -","4","1","","Vlasse, M.; Saux, M.; Echegut, P.; Villeneuve, G.","Etude cristallographique et par resonance magnetique nucleaire de l'oxyfluorure Sc O F","Materials Research Bulletin","1979","14","","807","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525527","11.61","","6.514","","3.327","","90","","90","","107.2","","240.36","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","Cu0.65 V S2","","- Cu0.65 S2 V -","- Cu0.649 S2 V -","- Cu2.596 S8 V4 -","4","1","","le Nagard, N.; Collin, G.; Gorochov, O.","Structure cristalline et proprietes physiques de Cu0.65 V S2","Materials Research Bulletin","1979","14","","155","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525528","3.482","","3.482","","18.686","","90","","90","","120","","196.202","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Cu Cr S2","","- Cr Cu S2 -","- Cr Cu S2 -","- Cr3 Cu3 S6 -","3","0.166667","","le Nagard, N.; Collin, G.; Gorochov, O.","Etude structurale et proprietes physiques de Cu Cr S2","Materials Research Bulletin","1979","14","","1411","1417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525805","3.90574","","3.90574","","11.80355","","90","","90","","90","","180.061","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Pr Ba2 Cu3 O7","","- Ba2 Cu3 O7 Pr -","- Ba2 Cu3 O7 Pr -","- Ba2 Cu3 O7 Pr -","1","0.125","","Lisboa-Filho, P. N.; Zanetti, S. M.; Mombrú, A. W.; Nascente, P. A. P.; Leite, E. R.; Ortiz, W. A.; Araújo-Moreira, F. M.","Crystallographic, microstructural and magnetic properties of polycrystalline PrBa~2~Cu~3~O~7-δ~","Superconductor Science and Technology","2001","14","8","522","527","10.1088/0953-2048/14/8/302","","","","","","","","","","","","","","","","","","","","","has coordinates","206902","2020-10-21","18:00:00",""
"1525807","18.3742","","18.3742","","18.3742","","90","","90","","90","","6203.34","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Ba Cu1.023 O2.045 -","- Ba Cu1.02273 O2.04545 -","- Ba88 Cu90 O180 -","88","0.916667","","Lisboa-Filho, P. N.; Zanetti, S. M.; Mombrú, A. W.; Nascente, P. A. P.; Leite, E. R.; Ortiz, W. A.; Araújo-Moreira, F. M.","Crystallographic, microstructural and magnetic properties of polycrystalline PrBa~2~Cu~3~O~7-δ~","Superconductor Science and Technology","2001","14","8","522","527","10.1088/0953-2048/14/8/302","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526591","3.8445","","3.9094","","11.68","","90","","90","","90","","175.547","","","","","","","","","","","","","1","P m m m","-P 2 2","47","","Gd Ba2 Cu3 O6.874","","- Gd -","- Gd -","- Gd -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00",""
"1526593","3.8545","","3.9079","","11.698","","90","","90","","90","","176.207","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","Gd0.94 Ca0.04 Ba2 Cu3 O6.88","","- Ca0.04 Gd0.94 -","- Ca0.04 Gd0.94 -","- Ca0.04 Gd0.94 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00",""
"1526595","3.8547","","3.9139","","11.676","","90","","90","","90","","176.155","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","Gd0.848 Ca0.148 Ba2 Cu3 O6.856","","- Ca0.148 Gd0.848 -","- Ca0.148 Gd0.848 -","- Ca0.148 Gd0.848 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00",""
"1526597","3.8571","","3.9114","","11.764","","90","","90","","90","","177.479","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Gd0.831 Pr0.081 Ca0.031 Ba2 Cu3 O6.862","","- Ca0.031 Gd0.831 Pr0.081 -","- Ca0.031 Gd0.831 Pr0.081 -","- Ca0.031 Gd0.831 Pr0.081 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00",""
"1526599","3.8481","","3.8824","","11.684","","90","","90","","90","","174.557","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Gd0.794 Pr0.094 Ca0.094 Ba2 Cu3 O6.863","","- Ca0.094 Gd0.794 Pr0.094 -","- Ca0.094 Gd0.794 Pr0.094 -","- Ca0.094 Gd0.794 Pr0.094 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00",""
"1526600","3.8507","","3.8846","","11.724","","90","","90","","90","","175.373","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Gd0.689 Pr0.089 Ca0.189 Ba2 Cu3 O6.878","","- Ca0.189 Gd0.689 Pr0.089 -","- Ca0.189 Gd0.689 Pr0.089 -","- Ca0.189 Gd0.689 Pr0.089 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00",""
"1526601","3.8386","","3.8877","","11.64","","90","","90","","90","","173.708","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Gd0.731 Pr0.131 Ca0.081 Ba2 Cu3 O6.862","","- Ca0.081 Gd0.731 Pr0.131 -","- Ca0.081 Gd0.731 Pr0.131 -","- Ca0.081 Gd0.731 Pr0.131 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00",""
"1526602","3.8504","","3.8902","","11.729","","90","","90","","90","","175.687","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Gd0.546 Pr0.146 Ca0.296 Ba2 Cu3 O6.892","","- Ca0.296 Gd0.546 Pr0.146 -","- Ca0.296 Gd0.546 Pr0.146 -","- Ca0.296 Gd0.546 Pr0.146 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00",""
"1526603","3.8725","","3.8942","","11.739","","90","","90","","90","","177.028","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Gd0.499 Pr0.298 Ca0.198 Ba2 Cu3 O6.872","","- Ca0.198 Gd0.499 Pr0.298 -","- Ca0.198 Gd0.499 Pr0.298 -","- Ca0.198 Gd0.499 Pr0.298 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00",""
"1526705","3.869","","3.869","","11.6697","","90","","90","","90","","174.686","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","(La0.357 Y0.214 Ca0.429) (Ba0.643 La0.357)2 Cu (Cu1.886 Fe0.114) O7.032","","- Ba1.286 Ca0.429 Cu2.886 Fe0.114 La1.071 O7.032 Y0.214 -","- Ba1.286 Ca0.4286 Cu2.886 Fe0.114 La1.0714 O7.032 Y0.214 -","- Ba1.286 Ca0.4286 Cu2.886 Fe0.114 La1.0714 O7.032 Y0.214 -","1","0.0625","","Subbarao, M.V.; Kundaliya, D.C.; Yelon, W.B.; Kulkarni, R.G.; Malik, S.K.","Structural studies of the superconducting La2.5 Y0.5 Ca Ba3 (Cu1-x Fex)7 Oz 8 (0 <= x <= 0.1) perovskite system by neutron diffraction","Journal of Superconductivity","2001","14","","397","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","147946","2020-10-21","18:00:00",""
"1526707","3.8707","","3.8707","","11.6225","","90","","90","","90","","174.132","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","(La0.357 Y0.214 Ca0.429) (Ba0.643 La0.357)2 Cu (Cu1.764 Fe0.236) O7.24","","- Ba1.286 Ca0.429 Cu2.764 Fe0.236 La1.071 O7.24 Y0.214 -","- Ba1.286 Ca0.4286 Cu2.764 Fe0.236 La1.0714 O7.24 Y0.214 -","- Ba1.286 Ca0.4286 Cu2.764 Fe0.236 La1.0714 O7.24 Y0.214 -","1","0.0625","","Subbarao, M.V.; Kundaliya, D.C.; Kulkarni, R.G.; Malik, S.K.; Yelon, W.B.","Structural studies of the superconducting La2.5 Y0.5 Ca Ba3 (Cu1-x Fex)7 Oz 8 (0 <= x <= 0.1) perovskite system by neutron diffraction","Journal of Superconductivity","2001","14","","397","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","147948","2020-10-21","18:00:00",""
"1526709","3.8772","","3.8772","","11.6318","","90","","90","","90","","174.857","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","(La0.357 Y0.214 Ca0.429) (Ba0.643 La0.357)2 Cu (Cu1.698 Fe0.302) O7.292","","- Ba1.286 Ca0.429 Cu2.698 Fe0.302 La1.071 O7.292 Y0.214 -","- Ba1.286 Ca0.4286 Cu2.698 Fe0.302 La1.0714 O7.292 Y0.214 -","- Ba1.286 Ca0.4286 Cu2.698 Fe0.302 La1.0714 O7.292 Y0.214 -","1","0.0625","","Subbarao, M.V.; Kundaliya, D.C.; Kulkarni, R.G.; Malik, S.K.; Yelon, W.B.","Structural studies of the superconducting La2.5 Y0.5 Ca Ba3 (Cu1-x Fex)7 Oz 8 (0 <= x <= 0.1) perovskite system by neutron diffraction","Journal of Superconductivity","2001","14","","397","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","147950","2020-10-21","18:00:00",""
"1527073","5.78","","5.78","","23.09","","90","","90","","120","","668.052","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Pb Fe12 O19","","- Fe12 O19 Pb -","- Fe12 O19 Pb -","- Fe24 O38 Pb2 -","2","0.0833333","","Aleshko-Ozhevskii, O.P.; Faek, M.K.; Yamzin, I.I.","A neutron diffraction study of the structure of magnetoplumbite","Kristallografiya","1969","14","","447","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527074","5.8","","5.8","","23.18","","90","","90","","120","","675.305","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Fe12 O19 -","- Ba Fe12 O19 -","- Ba2 Fe24 O38 -","2","0.0833333","","Aleshko-Ozhevskii, O.P.; Faek, M.K.; Yamzin, I.I.","A neutron diffraction study of the structure of magnetoplumbite","Kristallografiya","1969","14","","447","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527075","5.78","","5.78","","22.98","","90","","90","","120","","664.869","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sr Fe12 O19","","- Fe12 O19 Sr -","- Fe12 O19 Sr -","- Fe24 O38 Sr2 -","2","0.0833333","","Aleshko-Ozhevskii, O.P.; Faek, M.K.; Yamzin, I.I.","A neutron diffraction study of the structure of magnetoplumbite","Kristallografiya","1969","14","","447","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527135","21.503","","7.12","","7.4","","90","","90","","90","","1132.95","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Na2 Zn (Si2 O6)","","- Na2 O6 Si2 Zn -","- Na2 O6 Si2 Zn -","- Na16 O48 Si16 Zn8 -","8","0.5","","Belokoneva, E.L.; Belov, N.V.; Egorov-Tismenko, Yu.K.; Simonov, M.A.","Crystal structure of zinc Chkalovite Na2 Zn (Si2 O6)","Kristallografiya","1969","14","","1060","1062","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527229","7.241","","7.241","","7.241","","90","","90","","90","","379.661","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca Cu3 Mn4 O12 -","- Ca Cu3 Mn4 O12 -","- Ca2 Cu6 Mn8 O24 -","2","0.0416667","","Chenavas, J.; Marezio, M.; Joubert, J.C.; Bochu, B.","The synthesis and crystal structure of Ca Cu3 Mn4 O12: A new ferromagnetic-Perovskite-like compound","Journal of Solid State Chemistry","1975","14","","25","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527451","14.413","","5.76","","5.084","","90","","90","","90","","422.068","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(Mn.97 Ti.03) (Ta.64 Nb.36)2 O6","","- Mn0.97 Nb0.72 O6 Ta1.28 Ti0.03 -","- Mn0.97 Nb0.72 O6 Ta1.28 Ti0.03 -","- Mn3.88 Nb2.88 O24 Ta5.12 Ti0.12 -","4","0.5","","Grice, J.D.; Ferguson, R.B.; Hawthorne, F.C.","The crystal structures of tantalite, ixiolite and wodginite from Bernic Lake, Manitoba I. tantalite and ixiolite","Canadian Mineralogist","1976","14","","540","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","149036","2020-10-21","18:00:00",""
"1527452","4.785","","5.758","","5.16","","90","","90","","90","","142.168","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ta.42 Mn.30 Nb.24 Ti0.02 O2","","- Mn0.3 Nb0.24 O2 Ta0.42 Ti0.02 -","- Mn0.3 Nb0.24 O2 Ta0.42 Ti0.02 -","- Mn1.2 Nb0.96 O8 Ta1.68 Ti0.08 -","4","0.5","","Grice, J.D.; Ferguson, R.B.; Hawthorne, F.C.","The crystal structures of tantalite, ixiolite and wodginite from bernic lake, manitoba I. Tantalite and ixiolite","Canadian Mineralogist","1976","14","","540","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","149037","2020-10-21","18:00:00",""
"1527649","10.3","","4.97","","5.93","","90","","112.5","","90","","280.455","","","","","","","","","","","","","4","C 1","C 1","1","","Li2 Fe (W O4)2","","- Fe Li2 O8 W2 -","- Fe Li2 O8 W2 -","- Fe Li2 O8 W2 -","1","","","Klevtsova, R.F.; Borisov, S.V.","Features of the crystal structure of Li2 Fe (W O4)2","Kristallografiya","1969","14","","610","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","209123","2020-10-21","18:00:00",""
"1527718","3.336","","3.336","","3.336","","90","","90","","90","","37.126","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Zn Zr -","- Zn Zr -","- Zn4 Zr4 -","4","0.0208333","","Lashko, N.F.; Morozova, G.I.","Transformations of non-equilibrium dentrite shapes in the growths of the Zn Zr phase in cast alloys of the Mg-Zn-Zr system","Kristallografiya","1969","14","","163","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527786","3.181","","3.181","","2.963","","90","","90","","120","","25.965","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","(Sn0.85 Zn0.15)","","- Sn0.85 Zn0.15 -","- Sn0.85 Zn0.15 -","- Sn1.7 Zn0.3 -","2","0.166667","","McPherson, A.M.; Hansen, M.","New metastable phases in binary tin alloy systems","Acta Metallurgica","1966","14","","605","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","149531","2020-10-21","18:00:00",""
"1528351","14.819","","25.099","","15.347","","90","","94.374","","90","","5691.57","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(N (C H3)4)6 (Ni30 C4 (C O)34 (Cd Cl)2) (C H3 C N)6","","- C74 H90 Cd2 Cl2 N12 Ni30 O34 -","- C74 H90 Cd2 Cl2 N12 Ni30 O34 -","- C148 H180 Cd4 Cl4 N24 Ni60 O68 -","2","0.5","","Bernardi, A.; Zanello, P.; Femoni, C.; Iapalucci, M.C.; Longoni, G.; Ranuzzi, F.; Zacchini, S.; Fedi, S.","Synthesis, molecular structure and properties of the [H(6-n) Ni30 C4 (C O)34 (Cd Cl)2](n-) (n=3-6) bimetallic carbide carbonyl cluster: a model for the growth of noncompact interstitial metal carbides","Chemistry - A European Journal","2008","14","","1924","1934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528523","12.9152","","7.3761","","8.7016","","90","","90","","90","","828.948","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Eu (O H)2.5 Cl0.5 (H2 O)0.8","","- Cl0.5 Eu H4.1 O3.3 -","- Cl0.5 Eu O3.3 -","- Cl4 Eu8 O26.4 -","8","2","","Geng Fengxia; Sasaki, T.; Xin Hao; Ma Renzhi; Matsushita, Y.; Tanaka, M.; Iyi, N.; Izumi, F.","New layered rare-earth hydroxides with anion-exchange properties","Chemistry - A European Journal","2008","14","","9255","9260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528585","9.453","","11.123","","3.141","","90","","90","","90","","330.263","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Ca Sc2 O4","","- Ca O4 Sc2 -","- Ca O4 Sc2 -","- Ca4 O16 Sc8 -","4","0.5","","Horyn, R.; Lukaszewicz, K.","Refinement of the Crystal Structure of Ca Cs2 O4","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1966","14","","499","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529488","8.9406","0.0008","8.9406","0.0008","8.9406","0.0008","90","","90","","90","","714.66","0.11","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- F3 K Mo O3 Rb2 -","- F3 K Mo O3 Rb2 -","- F12 K4 Mo4 O12 Rb8 -","4","0.0208333","","A.V. Kartashev; M.S. Molokeev; L.I. Isaenko; S.A. Zhurkov; V.D. Fokina; M.V. Gorev; I.N. Flerov","Heat capacity and structure of Rb2KMeO3F3 (Me: Mo, W) elpasolites","Solid State Sciences","2012","14","1","166","170","10.1016/j.solidstatesciences.2011.11.019","","","0.71073","MoKα","","0.0237","0.0183","","","0.0461","0.0489","","","","","","1.039","","","","has coordinates","153834","2020-10-21","18:00:00",""
"1529501","8.9402","0.0005","8.9402","0.0005","8.9402","0.0005","90","","90","","90","","714.56","0.07","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- F6 K2 O6 Rb4 W2 -","- F6 K2 O6 Rb4 W2 -","- F12 K4 O12 Rb8 W4 -","2","0.0104167","","A.V. Kartashev; M.S. Molokeev; L.I. Isaenko; S.A. Zhurkov; V.D. Fokina; M.V. Gorev; I.N. Flerov","Heat capacity and structure of Rb2KMeO3F3 (Me: Mo, W) elpasolites","Solid State Sciences","2012","14","1","166","170","10.1016/j.solidstatesciences.2011.11.019","","","0.71073","MoKα","","0.0239","0.0232","","","0.0645","0.0653","","","","","","1.368","","","","has coordinates,has Fobs","153858","2020-10-21","18:00:00",""
"1529825","7.72","","4.448","","8.906","","100.5","","109.96","","103.68","","267.466","","","","","","","","","","","","","4","P -1","-P 1","2","","Rb Sb Br F3","","- Br F3 Rb Sb -","- Br F3 Rb Sb -","- Br2 F6 Rb2 Sb2 -","2","1","","Ducourant, M.B.; Jumas, J.C.; Mascherpa, G.; Fourcade, R.","Coordination 9 de l'antimoine III. Structure cristalline de Rb Sb Br F3","Revue de Chimie Minerale","1977","14","","76","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529843","7.904","","7.904","","8.261","","90","","90","","120","","446.948","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cs (Sb F6)","","- Cs F6 Sb -","- Cs F6 Sb -","- Cs3 F18 Sb3 -","3","0.166667","","de Steyn, M.M.V.; English, R.B.; Heyns, A.M.","X-ray and Raman studies of single crystals of Cs Sb F6","Journal of Crystallographic and Spectroscopic Research","1984","14","","505","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529911","8.228","","8.228","","8.228","","90","","90","","90","","557.035","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Cs (P F6)","","- Cs F6 P -","- Cs F6.012 P -","- Cs4 F24.048 P4 -","4","0.0208333","","English, R.B.; Heyns, A.M.","An infrared, Raman, and single-crystal X-ray study of cesium hexafluorophosphate","Journal of Crystallographic and Spectroscopic Research","1984","14","","531","540","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529981","22.563","","4.315","","14.934","","90","","90","","90","","1453.96","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sn5 Br4 F6","","- Br4 F6 Sn5 -","- Br4 F6 Sn5 -","- Br16 F24 Sn20 -","4","0.5","","Geneys, C.; Vilminot, S.","Etude structurale du fluorobromure d'etain (II), Sn5 Br4 F6","Revue de Chimie Minerale","1977","14","","395","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","154926","2020-10-21","18:00:00",""
"1530030","6.76","","7.56","","7.99","","102.7","","95.4","","117.4","","344.549","","","","","","","","","","","","","4","P -1","-P 1","2","","K2 Zn (N H2)4","","- H8 K2 N4 Zn -","- H8 K2 N4 Zn -","- H16 K4 N8 Zn2 -","2","1","","Guemas, L.; Palvadeau, P.","Etude structurale de l'amidozincate de potassium K2 Zn (N H2)4","Revue de Chimie Minerale","1977","14","","381","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530077","7.982","","7.982","","7.889","","90","","90","","90","","502.627","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Cs D2 As O4","","- As Cs D2 O4 -","- As Cs D2 O4 -","- As4 Cs4 D8 O16 -","4","0.25","","Hay, W.J.; Nelmes, R.J.","Structural studies of deuterated Cs H2 As O4 in its paraelectric and ferroelectric phases","Journal of Physics C","1981","14","","1043","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530078","11.516","","11.103","","7.87","","90","","90","","90","","1006.28","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","Cs D2 (As O4)","","- As Cs D2 O4 -","- As Cs D2 O4 -","- As8 Cs8 D16 O32 -","8","0.5","","Hay, W.J.; Nelmes, R.J.","Structural studies of deuterated Cs H2 As O 4 in its paraelectric and ferroelectric phases","Journal of Physics C","1981","14","","1043","1052","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530111","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.; Nelmes, R.J.","High-resolution studies of cubic Perovskites by elastic neutron diffraction II - Sr Ti O3, K Mn F3, Rb Ca F3 and Cs Pb Cl3","Journal of Physics C","1981","14","","1713","1736","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530112","4.445","","4.445","","4.445","","90","","90","","90","","87.824","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Rb Ca F3","","- Ca F3 Rb -","- Ca F3 Rb -","- Ca F3 Rb -","1","0.0208333","","Hutton, J.; Nelmes, R.J.","High-resolution studies of cubic Perovskites by elastic neutron diffraction II - Sr Ti O3, K Mn F3, Rb Ca F3 and Cs Pb Cl3","Journal of Physics C","1981","14","","1713","1736","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530159","2.66","","2.66","","4.33","","90","","90","","120","","26.533","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","Ni2 H","","- H Ni2 -","- H Ni2 -","- H Ni2 -","1","0.166667","","Khodyrev, Yu.P.; Semiletov, S.A.; Baranova, R.V.; Imamov, R.M.","Structure and composition of the phases formed when nickel and palladium are sputtered in hydrogen","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1978","14","","1645","1648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530160","4.03","","4.03","","4.03","","90","","90","","90","","65.451","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Pd H0.64","","- H0.64 Pd -","- H0.64 Pd -","- H2.56 Pd4 -","4","0.0208333","","Khodyrev, Yu.P.; Baranova, R.V.; Imamov, R.M.; Semiletov, S.A.","Structure and composition of the phases formed when nickel and palladium are sputtered in hydrogen","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1978","14","","1645","1648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530187","4.4158","","4.4158","","7.248","","90","","90","","90","","141.331","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Ba Cl F -","- Ba Cl F -","- Ba2 Cl2 F2 -","2","0.125","","Kodama, N.; Tanaka, K.; Utsunomiya, T.; Hoshino, Y.; Marumo, F.; Ishizawa, N.; Kato, M.","An X-ray diffraction study of anharmonic thermal vibrations in the ionic conductor, barium chloride fluoride Ba Cl F","Solid State Ionics","1984","14","","17","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530470","4.334","","14.024","","10.013","","90","","90","","90","","608.59","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","U I3","","- I3 U -","- I3 U -","- I12 U4 -","4","0.25","","Murasik, A.; Fischer, P.; Szczepaniak, W.","Neutron diffraction study of long-range antiferromagnetic order and crystal structure of uranium (III) tri-iodide","Journal of Physics C","1981","14","","1847","1854","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530555","5.926","","10.917","","6.718","","90","","104.4","","90","","420.961","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Li2 Ni (P2 S6)","","- Li2 Ni P2 S6 -","- Li2 Ni P2 S6 -","- Li4 Ni2 P4 S12 -","2","0.25","","Patel, S.N.; Balchin, A.A.","Preparation and structural studies of lithium substituted nickel phosphorus trisulphide Li2 Ni P2 S6","Solid State Ionics","1984","14","","45","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530568","7.099","","7.099","","5.687","","90","","90","","120","","248.204","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ca3 (Si O4) O","","- Ca3 O5 Si -","- Ca3 O5 Si -","- Ca6 O10 Si2 -","2","0.0833333","","Perez-Mendez, M.; Howie, R.A.; Glasser, F.P.","Ca3 Si O5 and its fluorine-stabilized aristotype. Synthesis, stability and postulated structure of Ca6-0.5x Si2 O10-x Fx","Cement and Concrete Research","1984","14","","57","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530902","3.382","","3.382","","19.38","","90","","90","","120","","191.969","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Zr Cl2","","- Cl2 Zr -","- Cl2 Zr -","- Cl6 Zr3 -","3","0.166667","","Troyanov, S.I.; Tsyrelnikov, V.I.","Synthesis and investigation of structure of zirconium dichloride","Vestnik Moskovskogo Universiteta, Khimiya","1973","14","","67","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530903","3.41","","3.41","","26.66","","90","","90","","120","","268.472","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Zr Cl","","- Cl Zr -","- Cl Zr -","- Cl6 Zr6 -","6","0.166667","","Troyanov, S.I.","Zirconium monochloride structure","Vestnik Moskovskogo Universiteta, Khimiya","1973","14","","369","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530957","10.051","","10.603","","7.881","","101.06","","105.67","","113.41","","698.277","","","","","","","","","","","","","4","P -1","-P 1","2","","(N H4)4 (Mo8 O26) (H2 O)4","","- H24 Mo8 N4 O30 -","- H24 Mo8 N4 O30 -","- H24 Mo8 N4 O30 -","1","0.5","","Vivier, H.; Djomaa, H.; Bernard, J.","Structure cristalline de (N H4)4 Mo8 O26 * (H2 O)4","Revue de Chimie Minerale","1977","14","","584","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1531021","2.68","","2.68","","4.35","","90","","90","","120","","27.058","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","Mn D0.65","","- D0.65 Mn -","- D0.65 Mn -","- D0.65 Mn -","1","0.0833333","","Zhebelev, V.P.; Somenkov, V.A.; Belash, I.T.; Ponyatovskii, E.G.; Shil'shtein, S.Sh.","Structure of Ni and Mn deuterides synthesized at high pressure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1978","14","","1620","1623","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531101","5.1063","","5.1063","","10.5248","","90","","90","","90","","274.427","","","","","","","","","","","","","4","I -4","I -4","82","","Li2 Ca Hf F8","","- Ca F8 Hf Li2 -","- Ca F8 Hf Li2 -","- Ca2 F16 Hf2 Li4 -","2","0.25","","Ayala, A.; Paschoal, C.W.A.; Castellano, E.E.; Gesland, J.Y.; Ellena, J.; Moreira, R.L.","Single-crystal structure determination and infrared reflectivity study of the Li2 Ca Hf F8 scheelite","Journal of Physics: Condensed Matter","2002","14","","5485","5495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531205","10.8637","","7.4406","","5.1717","","90","","90","","90","","418.041","","","","","","","","","","","","","12","P n m a","-P 2ac 2n","62","","(Y0.50 Dy0.25 Th0.157 U0.056 Ca0.012) (Ti1.605 Nb0.335 Ta0.05 W0.014 Fe0.018) O5.72 (O H)0.28","","- Ca0.012 Dy0.25 Fe0.018 H0.28 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 Y0.5 -","- Ca0.012 Dy0.251 Fe0.018 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 Y0.499 -","- Ca0.048 Dy1.004 Fe0.072 Nb1.34 O24 Ta0.2 Th0.628 Ti6.42 U0.224 W0.056 Y1.996 -","4","0.5","","Bonazzi, P.; Dei, L.; Zoppi, M.","Metamict aeschynite-(Y) from the Evje-Iveland district (Norway): heat-induced recrystallization and dehydrogenation","European Journal of Mineralogy (1,1989-)","2002","14","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531208","14.5342","","5.5584","","5.1952","","90","","90","","90","","419.704","","","","","","","","","","","","","12","P b c n","-P 2n 2ab","60","","(Y0.50 Dy0.25 Th0.157 U0.056 Ca0.012) (Ti1.605 Nb0.335 Ta0.05 W0.014 Fe0.018) O5.72 (O H)0.28","","- Ca0.012 Dy0.25 Fe0.018 H0.28 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 Y0.5 -","- Ca0.012 Dy0.251 Fe0.018 Nb0.335 O6 Ta0.05 Th0.157 Ti1.605 U0.056 W0.014 Y0.499 -","- Ca0.048 Dy1.004 Fe0.072 Nb1.34 O24 Ta0.2 Th0.628 Ti6.42 U0.224 W0.056 Y1.996 -","4","0.5","","Bonazzi, P.; Zoppi, M.; Dei, L.","Metamict aeschynite-(Y) from the Evje-Iveland district (Norway): heat-induced recrystallization and dehydrogenation","European Journal of Mineralogy (1,1989-)","2002","14","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531293","9.28","","9.28","","3.705","","90","","90","","120","","276.322","","","","","","","","","","","","","3","P -6","P -6","174","","Nd2 Fe12 P7","","- Fe12 Nd2 P7 -","- Fe12 Nd2 P7 -","- Fe12 Nd2 P7 -","1","0.166667","","Chen, X.-F.; Shen, X.-M.","Preparation of monophasic Nd2 Fe12 P7 alloy and crystal structure","Journal of Jiangsu Institute of Petrochemical Technology","2002","14","","31","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","156688","2020-10-21","18:00:00",""
"1531387","5.712","","5.712","","18.317","","90","","90","","120","","517.561","","","","","","","","","","","","","7","P 63 m c","P 6c -2c","186","","(Fe1.2 Ti0.8) Al14 ((Fe0.765 Zn0.235)4 (Al0.461 Mg0.539)2) O30 (O H)2","","- Al14.922 Fe4.26 H2 Mg1.078 O32 Ti0.8 Zn0.94 -","- Al14.924 Fe4.26 Mg1.076 O32 Ti0.8 Zn0.94 -","- Al14.924 Fe4.26 Mg1.076 O32 Ti0.8 Zn0.94 -","1","0.0833333","","Hejny, C.; Gnos, E.; Armbruster, T.; Grobety, B.","Crystal chemistry of the polysome ferrohoegbomite-2N2S, a long-known but newly defined mineral species","European Journal of Mineralogy (1,1989-)","2002","14","","957","967","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531417","9.1085","","9.1085","","9.1085","","90","","90","","90","","755.685","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Ni4 (Sb9 Sn3)","","- Ni4 Sb9 Sn3 -","- Ni4 Sb9 Sn3 -","- Ni8 Sb18 Sn6 -","2","0.0416667","","Grytsiv, A.V.; Rogl, P.; Lottermoser, W.; Berger, S.; Ferro, R.; Paul, C.; Bauer, E.; Godart, C.; Roisnel, T.; Musso, M.; Michor, H.; Saccone, A.; Hilscher, G.; Knoll, P.; Noel, H.","A novel skutterudite phase in the Ni - Sb - Sn system: phase equilibria and physical properties","Journal of Physics: Condensed Matter","2002","14","","7071","7090","","","","","","","","","","","","","","","","","","","","","","has coordinates","156883","2020-10-21","18:00:00",""
"1531419","9.1575","","9.1575","","9.1575","","90","","90","","90","","767.946","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Sn0.3 Ni4 (Sb6.4 Sn5.6)","","- Ni4 Sb6.4 Sn5.9 -","- Ni4 Sb6.396 Sn5.904 -","- Ni8 Sb12.792 Sn11.808 -","2","0.0416667","","Grytsiv, A.V.; Rogl, P.; Knoll, P.; Saccone, A.; Berger, S.; Michor, H.; Hilscher, G.; Paul, C.; Bauer, E.; Musso, M.; Lottermoser, W.; Roisnel, T.; Godart, C.; Ferro, R.; Noel, H.","A novel skutterudite phase in the Ni - Sb - Sn system: phase equilibria and physical properties","Journal of Physics: Condensed Matter","2002","14","","7071","7090","","","","","","","","","","","","","","","","","","","","","","has coordinates","156886","2020-10-21","18:00:00",""
"1531422","9.1588","","9.1588","","9.1588","","90","","90","","90","","768.273","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Eu0.81 Ni4 (Sb5.8 Sn6.2)","","- Eu0.81 Ni4 Sb5.8 Sn6.2 -","- Eu0.812 Ni4 Sb5.796 Sn6.204 -","- Eu1.624 Ni8 Sb11.592 Sn12.408 -","2","0.0416667","","Grytsiv, A.V.; Musso, M.; Berger, S.; Paul, C.; Rogl, P.; Bauer, E.; Godart, C.; Michor, H.; Hilscher, G.; Saccone, A.; Roisnel, T.; Knoll, P.; Ferro, R.; Lottermoser, W.; Noel, H.","A novel skutterudite phase in the Ni - Sb - Sn system: phase equilibria and physical properties","Journal of Physics: Condensed Matter","2002","14","","7071","7090","","","","","","","","","","","","","","","","","","","","","","has coordinates","156889","2020-10-21","18:00:00",""
"1531425","9.1399","","9.1399","","9.1399","","90","","90","","90","","763.527","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Yb0.58 Ni4 (Sb6.7 Sn5.3)","","- Ni4 Sb6.7 Sn5.3 Yb0.58 -","- Ni4 Sb6.696 Sn5.304 Yb0.58 -","- Ni8 Sb13.392 Sn10.608 Yb1.16 -","2","0.0416667","","Grytsiv, A.V.; Berger, S.; Rogl, P.; Paul, C.; Godart, C.; Lottermoser, W.; Knoll, P.; Michor, H.; Hilscher, G.; Bauer, E.; Ferro, R.; Saccone, A.; Musso, M.; Roisnel, T.; Noel, H.","A novel skutterudite phase in the Ni - Sb - Sn system: phase equilibria and physical properties","Journal of Physics: Condensed Matter","2002","14","","7071","7090","","","","","","","","","","","","","","","","","","","","","","has coordinates","156892","2020-10-21","18:00:00",""
"1531426","8.2873","","8.2873","","8.2873","","90","","90","","90","","569.166","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Ni4 (As9.1 Ge2.9)","","- As9.1 Ge2.9 Ni4 -","- As9.096 Ge2.904 Ni4 -","- As18.192 Ge5.808 Ni8 -","2","0.0416667","","Grytsiv, A.V.; Rogl, P.; Knoll, P.; Paul, C.; Berger, S.; Lottermoser, W.; Musso, M.; Bauer, E.; Michor, H.; Hilscher, G.; Godart, C.; Saccone, A.; Ferro, R.; Roisnel, T.; Noel, H.","A novel skutterudite phase in the Ni - Sb - Sn system: phase equilibria and physical properties","Journal of Physics: Condensed Matter","2002","14","","7071","7090","","","","","","","","","","","","","","","","","","","","","","has coordinates","156895","2020-10-21","18:00:00",""
"1531478","5.474","","5.459","","7.715","","90","","90","","90","","230.544","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.667 Ca0.333) Mn O3","","- Ca0.333 La0.667 Mn O3 -","- Ca0.333 La0.667 Mn O3 -","- Ca1.332 La2.668 Mn4 O12 -","4","0.5","","Guo, Y.-Q.; Roy, S.; Ali, N.","Effect of nitrogen incorporation in La2/3 Ca1/3 Mn O3","Journal of Physics: Condensed Matter","2002","14","","181","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531482","3.541","","4.749","","7.873","","90","","90","","90","","132.394","","","","","","","","","","","","","1","P b n m","-P 2c 2ab","62","","","","- N -","- N -","- N4 -","4","0.5","","Guo, Y.-Q.; Roy, S.; Ali, N.","Effect of nitrogen incorporation in La2/3 Ca1/3 Mn O3","Journal of Physics: Condensed Matter","2002","14","","181","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531553","11.355","","11.355","","5.0394","","90","","90","","120","","562.709","","","","","","","","","","","","","5","P 3 1 m","P 3 -2","157","","(Fe0.77 Mg0.23)12 (P O3 O H) (P O4)5 ((O H)5 O)","","- Fe9.24 H6 Mg2.76 O30 P6 -","- Fe9.264 H5.998 Mg2.736 O30 P6 -","- Fe9.264 H5.998 Mg2.736 O30 P6 -","1","0.166667","","Kolitsch, U.; Andrut, M.; Giester, G.","Satterlyite, (Fe, Mg)12 (P O3 O H) (P O4)5 (O H, O)6: crystal structure and infrared absorption spectra","European Journal of Mineralogy (1,1989-)","2002","14","","127","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532310","10.07","","10.82","","7.6","","90","","127","","90","","661.331","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K0.49 Nd1.17 (W O4)2","","- K0.49 Nd1.17 O8 W2 -","- K0.49 Nd1.17 O8 W2 -","- K1.96 Nd4.68 O32 W8 -","4","0.5","","Solov'eva, L.P.; Borisov, S.V.","Crystal structure of a ditungstate (K Nd) Nd (W O4)2","Kristallografiya","1969","14","","613","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","158006","2020-10-21","18:00:00",""
"1532316","5.762","","5.762","","5.762","","90","","90","","90","","191.302","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cu2 S -","- Cu2.002 S -","- Cu8.008 S4 -","4","0.0208333","","Will, G.; Hinze, E.; Abdel Rahman, A.M.","Crystal structure analysis and refinement of digenite, Cu1.8 S, in the temperature range 20 to 500 C under controlled sulfur partial pressure","European Journal of Mineralogy (1,1989-)","2002","14","","591","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532521","7.756","","7.756","","9.469","","90","","90","","120","","493.299","","","","","","","","","","","","","4","P 63","P 6c","173","","(Mg2 (Si O4))2 (Mg (O H)2)3","","- H6 Mg7 O14 Si2 -","- Mg7 O14 Si2 -","- Mg14 O28 Si4 -","2","0.333333","","Kudoh, Y.; Kuribayashi, T.; Kagi, H.; Sasaki, S.; Tanaka, M.","High-pressure structural study of phase-A, Mg7 Si2 H6 O14 using synchrotron radiation","Journal of Physics: Condensed Matter","2002","14","","10491","10495","","","","","","","","","","","","","","","","","","","","","","has coordinates","158449","2020-10-21","18:00:00",""
"1532595","8.0452","","8.0452","","22.772","","90","","90","","90","","1473.92","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Nd6 Fe13 Si","","- Fe13 Nd6 Si -","- Fe13 Nd6 Si -","- Fe52 Nd24 Si4 -","4","0.125","","Isnard, O.; Long, G.J.; Grandjean, F.; Buschow, K.H.J.; Hautot, D.","A neutron diffraction and Mossbauer spectral study of the magnetic spin reorientation in Nd6 Fe13 Si","Journal of Physics: Condensed Matter","2002","14","","12391","12409","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532655","14.119","","14.119","","12.496","","90","","90","","90","","2491.03","","","","","","","","","","","","","7","P 4/m n c","-P 4 2n","128","","K4 H2 (Si W5 Mo6 Mn (H2 O) O39) (H2 O)22","","- H48 K4 Mn Mo6 O62 Si W5 -","- K4 Mn0.9996 Mo6 O62 Si W5.0004 -","- K8 Mn1.9992 Mo12 O124 Si2 W10.0008 -","2","0.125","","Dai Liyi; Gao Shiyang; Xia Shuping","Crystal structure of K4 H2 (Si W5 Mo6 Mn (H2 O) O39) * 22(H2 O)","Huaxue Yanjiu Yu Yingyong (Chem. Research and Application)","2002","14","","653","655","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532803","7.7655","","5.5062","","5.4883","","90","","90.109","","90","","234.67","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(La0.7 Ce0.153 Ca0.147) (Mn O3)","","- Ca0.147 Ce0.153 La0.7 Mn O3 -","- Ca0.147 Ce0.153 La0.7 Mn O2.999 -","- Ca0.588 Ce0.612 La2.8 Mn4 O11.996 -","4","1","","Wu, S.Y.; Yang, C.C.; Tsao, F.C.; Li, W.-H.; Yang, H.D.; Lynn, J.W.; Lee, K.C.","Crystal structure and magnetic ordering of Mn and Ce in La0.7 Ce0.15 Ca0.15 Mn O3","Journal of Physics: Condensed Matter","2002","14","","12585","12597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532956","5.6671","","5.6537","","7.9969","","90","","89.927","","90","","256.221","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 (Mn Mo O6)","","- Mn Mo O6 Sr2 -","- Mn Mo O6 Sr2 -","- Mn2 Mo2 O12 Sr4 -","2","0.5","","Munoz, A.; Fernandez-Diaz, M.T.; Alonso, J.A.; Martinez-Lope, M.J.; Casais, M.T.","Crystal and magnetic structure of the complex oxides Sr2 Mn Mo O6, Sr2 Mn W O6 and Ca2 Mn W O6: a neutron diffraction study","Journal of Physics: Condensed Matter","2002","14","","8817","8830","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532958","5.6803","","5.6723","","8.0199","","90","","89.936","","90","","258.404","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 (Mn W O6)","","- Mn O6 Sr2 W -","- Mn O6 Sr2 W -","- Mn2 O12 Sr4 W2 -","2","0.5","","Munoz, A.; Alonso, J.A.; Casais, M.T.; Martinez-Lope, M.J.; Fernandez-Diaz, M.T.","Crystal and magnetic structure of the complex oxides Sr2 Mn Mo O6, Sr2 Mn W O6 and Ca2 Mn W O6: a neutron diffraction study","Journal of Physics: Condensed Matter","2002","14","","8817","8830","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533014","3.32","","3.32","","8.192","","90","","90","","90","","90.296","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ge2 W -","- Ge2 W -","- Ge4 W2 -","2","0.0625","","Popova, S.V.; Fomicheva, L.N.","Synthesis of germanium tungsten etc.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1978","14","","684","686","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533430","7.2857","","12.5588","","13.6186","","90","","90","","90","","1246.1","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","K Gd (Fe (C N)6) (H2 O)3.52","","- C6 H7.04 Fe Gd K N6 O3.52 -","- C6 Fe Gd K N6 O3.52 -","- C24 Fe4 Gd4 K4 N24 O14.08 -","4","0.25","","Goubard, F.; Tabuteau, A.","Synthesis, spectroscopic, thermal and structural characterization of complex ferrocyanides K Ln Fe(II) (C N)6 * 3.5(H2 O) (Ln = Gd - Ho)","Structural Chemistry","2003","14","","257","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533433","7.2714","","12.5153","","13.5954","","90","","90","","90","","1237.23","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","K Tb (Fe (C N)6) (H2 O)3.48","","- C6 H6.96 Fe K N6 O3.48 Tb -","- C6 Fe K N6 O3.48 Tb -","- C24 Fe4 K4 N24 O13.92 Tb4 -","4","0.25","","Goubard, F.; Tabuteau, A.","Synthesis, spectroscopic, thermal and structural characterization of complex ferrocyanides K Ln Fe(II) (C N)6 * 3.5(H2 O) (Ln = Gd - Ho)","Structural Chemistry","2003","14","","257","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533436","7.2583","","12.5089","","13.5474","","90","","90","","90","","1230.01","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","K Dy (Fe (C N)6) (H2 O)3.492","","- C6 H6.984 Dy Fe K N6 O3.492 -","- C6 Dy Fe K N6 O3.492 -","- C24 Dy4 Fe4 K4 N24 O13.968 -","4","0.25","","Goubard, F.; Tabuteau, A.","Synthesis, spectroscopic, thermal and structural characterization of complex ferrocyanides K Ln Fe(II) (C N)6 * 3.5(H2 O) (Ln = Gd - Ho)","Structural Chemistry","2003","14","","257","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533439","7.2642","","12.5076","","13.5142","","90","","90","","90","","1227.87","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","K Ho (Fe (C N)6) (H2 O)3.54","","- C6 H7.08 Fe Ho K N6 O3.54 -","- C6 Fe Ho K N6 O3.54 -","- C24 Fe4 Ho4 K4 N24 O14.16 -","4","0.25","","Goubard, F.; Tabuteau, A.","Synthesis, spectroscopic, thermal and structural characterization of complex ferrocyanides K Ln Fe(II) (C N)6 * 3.5(H2 O) (Ln = Gd - Ho)","Structural Chemistry","2003","14","","257","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533527","3.8019","","3.8019","","3.8019","","90","","90","","90","","54.954","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Mn3 Ge","","- Ge Mn3 -","- Ge Mn3 -","- Ge Mn3 -","1","0.0208333","","Takizawa, H.; Uheda, K.; Yamashita, T.; Endo, T.","High-pressure synthesis of ferromagnetic Mn3 Ge with the (Cu3 Au)- type structure","Journal of Physics: Condensed Matter","2002","14","","11147","11150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533530","8.4682","","4.7424","","3.9595","","90","","88.112","","90","","158.926","","","","","","","","","","","","","1","C 1 2/m 1","-C 2y","12","","","","- Te -","- Te -","- Te6 -","6","0.75","","Takumi, M.; Masamitsu, T.; Nagata, K.","X-ray structural analysis of the high-pressure phase III of tellurium","Journal of Physics: Condensed Matter","2002","14","","10609","10613","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533720","7.99","","7.99","","7.88","","90","","90","","90","","503.06","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Cs D2 (As O4)","","- As Cs0.5 D2 O4 -","- As Cs0.5 D2 O4 -","- As4 Cs2 D8 O16 -","4","0.25","","Hay, W.J.; Nelmes, R.J.","Structural studies of Cs D2 As O4 in the paraelectric phase and the ferroelectric phase","Ferroelectrics","1976","14","","599","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534199","3.993","","3.993","","9.186","","90","","90","","90","","146.462","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Eu O I","","- Eu I O -","- Eu I O -","- Eu2 I2 O2 -","2","0.125","","Baernighausen, H.","Darstellung und Kristalldaten von Europium(II)-jodid Eu J2 und Europium(III)-oxidjodid Eu O J","Journal fuer Praktische Chemie","1961","14","","313","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534255","10.7347","","10.7347","","10.7347","","90","","90","","90","","1237","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Hg2 Cu2 F6 S","","- Cu2 F6 Hg2 S -","- Cu2 F6 Hg2 S -","- Cu16 F48 Hg16 S8 -","8","0.0416667","","Bernard, D.; Pannetier, J.; Lucas, J.","Hg2 M2 F6 S et Hg2 M2 F6 O: Deux Nouvelles Familles de Pyrochlores contenant du Mercure et des Metaux M de Transition Divalents","Journal of Solid State Chemistry","1975","14","","328","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534256","10.9549","","10.9549","","10.9549","","90","","90","","90","","1314.7","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Hg2 Mn2 F6 S","","- F6 Hg2 Mn2 S -","- F6 Hg2 Mn2 S -","- F48 Hg16 Mn16 S8 -","8","0.0416667","","Bernard, D.; Pannetier, J.; Lucas, J.","Hg2 M2 F6 S et Hg2 M2 F6 O: Deux Nouvelles Familles de Pyrochlores contenant du Mercure et des Metaux M de Transition Divalents","Journal of Solid State Chemistry","1975","14","","328","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534257","10.3264","","10.3264","","10.3264","","90","","90","","90","","1101.15","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Hg2 Ni2 F6 O","","- F6 Hg2 Ni2 O -","- F6 Hg2 Ni2 O -","- F48 Hg16 Ni16 O8 -","8","0.0416667","","Bernard, D.; Pannetier, J.; Lucas, J.","Hg2 M2 F6 S et Hg2 M2 F6 O: Deux Nouvelles Familles de Pyrochlores contenant du Mercure et des Metaux M de Transition Divalents","Journal of Solid State Chemistry","1975","14","","328","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534258","10.333","","10.333","","10.333","","90","","90","","90","","1103.26","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Hg2 Zn2 F6 O","","- F6 Hg2 O Zn2 -","- F6 Hg2 O Zn2 -","- F48 Hg16 O8 Zn16 -","8","0.0416667","","Bernard, D.; Pannetier, J.; Lucas, J.","Hg2 M2 F6 S et Hg2 M2 F6 O: Deux Nouvelles Familles de Pyrochlores contenant du Mercure et des Metaux M de Transition Divalents","Journal of Solid State Chemistry","1975","14","","328","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534308","12.42","","12.76","","13.51","","90","","90","","90","","2141.05","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Ti Cl4 P O Cl3)2","","- Cl14 O2 P2 Ti2 -","- Cl14 O2 P2 Ti2 -","- Cl56 O8 P8 Ti8 -","4","0.5","","Branden, C.I.; Lindqvist, I.","The Crystal Structure of ((Ti Cl4) (P O Cl))2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","726","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","160869","2020-10-21","18:00:00",""
"1534522","18.2435","","18.2435","","17.6125","","90","","90","","120","","5076.54","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ca6 Hf19 O44 -","- Ca6 Hf19 O44 -","- Ca36 Hf114 O264 -","6","0.166667","","Allpress, J.G.; Rossell, H.J.; Scott, H.G.","Crystal structures of the fluorite-related phases Ca Hf4 O9 and Ca6 Hf19 O44","Journal of Solid State Chemistry","1975","14","","264","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534567","7.5502","","7.5502","","4.1382","","90","","90","","120","","204.296","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ce Pt Mg","","- Ce Mg Pt -","- Ce Mg Pt -","- Ce3 Mg3 Pt3 -","3","0.25","","Gibson, B.J.; Das, A.; Poettgen, R.; Hoffmann, R.D.; Kremer, R.K.","Synthesis, structure and magnetic properties of La T Mg and Ce T Mg (T= Pd, Pt, Au)","Journal of Physics: Condensed Matter","2002","14","","5173","5186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534570","7.673","","7.673","","4.1037","","90","","90","","120","","209.236","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ce Pd Mg","","- Ce Mg Pd -","- Ce Mg Pd -","- Ce3 Mg3 Pd3 -","3","0.25","","Gibson, B.J.; Das, A.; Poettgen, R.; Kremer, R.K.; Hoffmann, R.D.","Synthesis, structure and magnetic properties of La T Mg and Ce T Mg (T= Pd, Pt, Au)","Journal of Physics: Condensed Matter","2002","14","","5173","5186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534686","12.1282","","38.2302","","12.354","","90","","115.047","","90","","5189.43","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K10 (H2 V16 O38) (H2 O)13","","- H28 K10 O51 V16 -","- K10 O51 V16 -","- K40 O204 V64 -","4","1","","Long, D.-L.; Orr, D.; Seeber, G; Koegerler, P.; Farrugia, L.J.; Cronin, L.","The Missing Link in Low Nuclearity Pure Polyoxovanadate Clusters: Preliminary Synthesis and Structural Analysis of a New {V16} Cluster and Related Products","Journal of Cluster Science","2003","14","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","161626","2020-10-21","18:00:00",""
"1534690","12.7854","","20.2812","","13.2386","","90","","115.34","","90","","3102.52","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","K11 (V18 O42 (S O4)) (H2 O)20","","- H40 K11 O66 S V18 -","- K11 O66 S V18 -","- K22 O132 S2 V36 -","2","0.5","","Long, D.-L.; Seeber, G; Orr, D.; Koegerler, P.; Farrugia, L.J.; Cronin, L.","The Missing Link in Low Nuclearity Pure Polyoxovanadate Clusters: Preliminary Synthesis and Structural Analysis of a New {V16} Cluster and Related Products","Journal of Cluster Science","2003","14","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534711","4.3","","4.3","","4.89","","90","","90","","120","","78.303","","","","","","","","","","","","","1","P 31 2 1","P 31 2""","152","","","","- Se -","- Se -","- Se3 -","3","0.5","","Avilov, A.S.; Imamov, R.M.","The structure of selenium","Kristallografiya","1969","14","","330","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534743","3.5432","","3.5432","","5.0388","","90","","90","","120","","54.783","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt S2 -","- Pt S2 -","- Pt S2 -","1","0.0833333","","Groenvold, F.; Kjekshus, A.; Haraldsen, H.","On the sulfides, selenides and tellurides of platinum","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","1879","1893","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535017","4.789","","8.557","","5.743","","90","","90","","90","","235.345","","","","","","","","","","","","","2","C 2 c m","C -2c 2","40","","","","- Cr O3 -","- Cr O3 -","- Cr4 O12 -","4","0.5","","Hanic, F.; Stempelova, D.","Bemerkungen zur Struktur von Chrom(VI)-Oxid","Chemicke Zvesti","1960","14","","165","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536149","4.803","","4.803","","3.235","","90","","90","","90","","74.628","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","V F2","","- F2 V -","- F2 V -","- F4 V2 -","2","0.125","","Costa, M.M.R.; de Almeida, M.J.M.","Contribution to the study of the electron distribution in V F2","Portugaliae physica","1983","14","","71","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536339","12.9746","","20.6879","","28.2091","","69.549","","89.376","","86.523","","7081.08","","","","","","","","","","","","","4","P -1","-P 1","2","","(N H4)16 (U P4 W34 O122) (H2 O)49.293","","- O171.293 P4 U W34 -","- O171.293 P4 U W34 -","- O342.586 P8 U2 W68 -","2","1","","Ostuni, A.; Bachman, R.E.; Pope, M.T.","Multiple diastereomers of [M(n+) (alpha(m)-P2 W17 O61)2](20-n)- (M = U(IV), Th(IV), Ce(III); m = 1, 2). Syn- and anti-conformations of the polytungstate ligands in alpha(1)alpha(1), alpha(1)alpha(2), and alpha(2)alpha(2) complexes","Journal of Cluster Science","2003","14","","431","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536343","14.623","","22.5243","","24.5558","","95.728","","102.622","","100.151","","7688.04","","","","","","","","","","","","","6","P -1","-P 1","2","","K21.08 (U P4 W34 O124.54) (H2 O)43.11","","- H86.22 K21.08 O167.65 P4 U W34 -","- K21.079 O167.648 P4 U W34 -","- K42.158 O335.296 P8 U2 W68 -","2","1","","Ostuni, A.; Bachman, R.E.; Pope, M.T.","Multiple diastereomers of [M(n+) (alpha(m)-P2 W17 O61)2](20-n)- (M = U(IV), Th(IV), Ce(III); m = 1, 2). Syn- and anti-conformations of the polytungstate ligands in alpha(1)alpha(1), alpha(1)alpha(2), and alpha(2)alpha(2) complexes","Journal of Cluster Science","2003","14","","431","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536347","24.8565","","21.2375","","29.4053","","90","","99.974","","90","","15288.2","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","K12.68 Th P4 W34 O120.34 (H2 O)52.205","","- H104.41 K12.68 O172.545 P4 Th W34 -","- K12.68 O172.545 P4 Th W34 -","- K50.72 O690.18 P16 Th4 W136 -","4","1","","Ostuni, A.; Pope, M.T.; Bachman, R.E.","Multiple diastereomers of [M(n+) (alpha(m)-P2 W17 O61)2](20-n)- (M = U(IV), Th(IV), Ce(III); m = 1, 2). Syn- and anti-conformations of the polytungstate ligands in alpha(1)alpha(1), alpha(1)alpha(2), and alpha(2)alpha(2) complexes","Journal of Cluster Science","2003","14","","431","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536351","18.699","","19.5392","","24.4152","","111.08","","107.282","","96.51","","7701.07","","","","","","","","","","","","","6","P -1","-P 1","2","","Ce K10.63 P4 W34 O118.815 (H2 O)62.355","","- Ce H124.71 K10.63 O181.17 P4 W34 -","- Ce K10.63 O181.17 P4 W34 -","- Ce2 K21.26 O362.34 P8 W68 -","2","1","","Ostuni, A.; Pope, M.T.; Bachman, R.E.","Multiple diastereomers of [M(n+) (alpha(m)-P2 W17 O61)2](20-n)- (M = U(IV), Th(IV), Ce(III); m = 1, 2). Syn- and anti-conformations of the polytungstate ligands in alpha(1)alpha(1), alpha(1)alpha(2), and alpha(2)alpha(2) complexes","Journal of Cluster Science","2003","14","","431","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536354","12.782","","24.1059","","24.3731","","82.159","","88.378","","80.976","","7347.4","","","","","","","","","","","","","6","P -1","-P 1","2","","K11.164 U P4 W34 O119.582 (H2 O)22.418","","- H44.836 K11.164 O142 P4 U W34 -","- K11.165 O142 P4 U W34 -","- K22.33 O284 P8 U2 W68 -","2","1","","Ostuni, A.; Bachman, R.E.; Pope, M.T.","Multiple diastereomers of [M(n+) (alpha(m)-P2 W17 O61)2](20-n)- (M = U(IV), Th(IV), Ce(III); m = 1, 2). Syn- and anti-conformations of the polytungstate ligands in alpha(1)alpha(1), alpha(1)alpha(2), and alpha(2)alpha(2) complexes","Journal of Cluster Science","2003","14","","431","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536804","16.7886","","18.4309","","24.4995","","90","","99.58","","90","","7475.13","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N H4)4 Na2 (Mo36 O108 (N H2 O H)2 (O H)6 (H2 O)12) (H2 O)35","","- H122 Mo36 N6 Na2 O163 -","- Mo36 N6 Na2 O163 -","- Mo72 N12 Na4 O326 -","2","0.5","","Yang, W.; Lu, C.; Zhang, Q.; Zhan, X.; Yu, Y.; Liu, J.","A new member of giant polyoxomolybdate containing bridging hydroxylamine moieties: synthesis and crystal structure of (N H4)4 Na2 (Mo36(VI) O108 (N H2 O H)2 (O H)6 (H2 O)12).35H2 O","Journal of Cluster Science","2003","14","","391","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536863","7.38","","7.38","","4.238","","90","","90","","120","","199.896","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Pu Cl3","","- Cl3 Pu -","- Cl3 Pu -","- Cl6 Pu2 -","2","0.166667","","Zachariasen, W.H.","Crystal structure studies of chlorides, bromides, and iodides of plutonium and neptunium","Nat. Nucl. Energy Ser. Div. Iv. Sec. B","1949","14","","1473","1485","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536866","7.405","","7.405","","4.273","","90","","90","","120","","202.915","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Np Cl3","","- Cl3 Np -","- Cl3 Np -","- Cl6 Np2 -","2","0.166667","","Zachariasen, W.H.","Crystal structure studies of chlorides, bromides, and iodides of plutonium and neptunium","Nat. Nucl. Energy Ser. Div. Iv. Sec. B","1949","14","","1473","1485","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536873","7.917","","7.917","","4.382","","90","","90","","120","","237.862","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","Np Br3","","- Br3 Np -","- Br3 Np -","- Br6 Np2 -","2","0.166667","","Zachariasen, W.H.","Crystal structure studies of chlorides, bromides, and iodides of plutonium and neptunium","Nat. Nucl. Energy Ser. Div. Iv. Sec. B","1949","14","","1473","1485","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536884","7.806","","7.806","","4.302","","90","","90","","120","","227.017","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Pu (Br0.8 Cl0.2)3","","- Br2.4 Cl0.6 Pu -","- Br2.4 Cl0.6 Pu -","- Br4.8 Cl1.2 Pu2 -","2","0.166667","","Zachariasen, W.H.","Crystal structure studies of chlorides, bromides, and iodides of plutonium and neptunium","Nat. Nucl. Energy Ser. Div. Iv. Sec. B","1949","14","","1473","1485","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536888","4.034","","4.034","","9.151","","90","","90","","90","","148.916","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Pu O I","","- I O Pu -","- I O Pu -","- I2 O2 Pu2 -","2","0.125","","Zachariasen, W.H.","Crystal structure studies of chlorides, bromides, and iodides of plutonium and neptunium","Nat. Nucl. Energy Ser. Div. Iv. Sec. B","1949","14","","1473","1485","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536902","12.3863","","12.8934","","31.7285","","84.2","","81.23","","61.65","","4404.83","","","","","","","","","","","","","7","P -1","-P 1","2","","La (C H3 C O O) (H2 O)2 (P2 W17 O61) O18 K7.5","","- C2 H7 K7.5 La O83 P2 W17 -","- C2 K7.5 La O83 P2 W17 -","- C4 K15 La2 O166 P4 W34 -","2","1","","Kortz, U.","Rare-Earth Substituted Polyoxoanions: [{La (C H3 C O O) (H2 O)2(a2-P2 W17 O61)}2]16- and [{Nd (H2 O)3 (a2-P2 W17 O61)}2]14-","Journal of Cluster Science","2003","14","","205","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536905","17.503","","23.7842","","19.1869","","90","","100.661","","90","","7849.54","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Nd (H2 O)3 (P2 W17 O61))2 K4 Nd2.5 O55","","- H12 K4 Nd4.5 O183 P4 W34 -","- K4 Nd4.5 O183 P4 W34 -","- K8 Nd9 O366 P8 W68 -","2","0.5","","Kortz, U.","Rare-Earth Substituted Polyoxoanions: [{La (C H3 C O O) (H2 O)2(a2-P2 W17 O61)}2]16- and [{Nd (H2 O)3 (a2-P2 W17 O61)}2]14-","Journal of Cluster Science","2003","14","","205","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537023","10.6513","","10.6513","","10.6513","","90","","90","","90","","1208.39","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","K3 (V Mo12 O40) (H2 O)19","","- H38 K3 Mo12 O59 V -","- K3 Mo12 O59.24 V -","- K3 Mo12 O59.24 V -","1","0.0208333","","Zhang, Q.-Z.; Lu, C.-Z.; Liu, J.-H.; Wu, C.-D.; Yu, Y.-Q.; Yang, W.-B.; Yan, Y.; He, X.","Synthesis and structure of two Keggin-type heteropolyanions: [V Mo12 O40]n(3n-) (1) and [H3 P Mo(V) Mo(VI)11 O40]1- (2)","Journal of Cluster Science","2003","14","","381","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537027","13.9669","","13.9669","","42.0075","","90","","90","","120","","7096.72","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Ni (H2 O)6) (H3 P Mo12 O40)2 (H2 O)30","","- H78 Mo24 Ni O116 P2 -","- Mo24 Ni O116 P2 -","- Mo72 Ni3 O348 P6 -","3","0.166667","","Zhang, Q.-Z.; Lu, C.-Z.; Yang, W.-B.; Wu, C.-D.; Yu, Y.-Q.; Liu, J.-H.; He, X.; Yan, Y.","Synthesis and structure of two Keggin-type heteropolyanions: [V Mo12 O40]n(3n-) (1) and [H3 P Mo(V)Mo(VI)11 O40]1- (2)","Journal of Cluster Science","2003","14","","381","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538616","4.265","","4.265","","5.163","","90","","90","","120","","81.334","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- In Ni2 -","- In Ni2 -","- In2 Ni4 -","2","0.0833333","","Kalyana Raman, R.S.; Gupta, R.K.; Sujir, M.N.; Bhan, S.","Lattice constants of B8-structure in Cu2 In - Ni2 In alloys","Journal of Scientific Research of the Banaras Hindu University","1964","14","","95","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538686","5.88","","5.88","","5.88","","90","","90","","90","","203.297","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sm S","","- S Sm -","- S Sm -","- S4 Sm4 -","4","0.0208333","","Nadzhafov, A.I.; Ali-Zade, M.Z.; Kurbanov, T.Kh.; Rustamov, P.G.; Aliev, O.M.","Phase diagram of the system Ga S - Sm S","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1978","14","","501","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538705","7.1776","","7.1776","","7.1776","","90","","90","","90","","369.775","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Tb -","- Ni2 Tb -","- Ni16 Tb8 -","8","0.0416667","","Mansey, R.C.; Raynor, G.V.; Harris, I.R.","Rare-earth intermediate phases V. The cubic laves phases formed by rare-earth metals with iron and nickel","Journal of the Less-Common Metals","1968","14","","329","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538708","7.1086","","7.1086","","7.1086","","90","","90","","90","","359.213","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Tm -","- Ni2 Tm -","- Ni16 Tm8 -","8","0.0416667","","Mansey, R.C.; Raynor, G.V.; Harris, I.R.","Rare-earth intermediate phases V. The cubic laves phases formed by rare-earth metals with iron and nickel","Journal of the Less-Common Metals","1968","14","","329","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538711","7.2707","","7.2707","","7.2707","","90","","90","","90","","384.352","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Nd Ni2 -","- Nd Ni2 -","- Nd8 Ni16 -","8","0.0416667","","Mansey, R.C.; Raynor, G.V.; Harris, I.R.","Rare-earth intermediate phases V. The cubic laves phases formed by rare-earth metals with iron and nickel","Journal of the Less-Common Metals","1968","14","","329","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539031","3.32","","3.32","","8.92","","90","","90","","90","","98.32","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ge2 W -","- Ge2 W -","- Ge4 W2 -","2","0.0625","","Popova, S.V.; Fomicheva, L.N.","Synthesis of tungsten germanides at high pressure","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1978","14","","533","535","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539070","5.971","","7.445","","5.166","","90","","90","","90","","229.65","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Pd3 P","","- P Pd3 -","- P Pd3 -","- P4 Pd12 -","4","0.5","","Rundqvist, S.; Gullman, L.O.","The crystal structure of Pd3 P","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","2246","2247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539071","5.498","","5.498","","5.498","","90","","90","","90","","166.194","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Rh2 P","","- P Rh2 -","- P Rh2 -","- P4 Rh8 -","4","0.0208333","","Rundqvist, S.; Hede, A.","X-ray investigation on rhodium phosphides. The crystal structure of Rh4 P3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","893","902","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539072","9.994","","3.317","","11.662","","90","","90","","90","","386.596","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Rh4 P3","","- P3 Rh4 -","- P3 Rh4 -","- P12 Rh16 -","4","0.5","","Rundqvist, S.; Hede, A.","X-ray investigation on rhodium phosphides. The crystal structure of Rh4 P3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","893","902","","","","","","","","","","","","","","","","","","","","","","has coordinates","167808","2020-10-21","18:00:00",""
"1539206","6.163","","6.163","","6.163","","90","","90","","90","","234.087","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","(In2 Te3)1.333","","- In2.666 Te3.999 -","- In2.68 Te4 -","- In2.68 Te4 -","1","0.0104167","","Verkelis, I.Yu.","Beta-modification of In2 Te3","Soviet Physics - Solid State (New York)","1972","14","","1445","1447","","","","","","","","","","","","","","","","","","","","","","has coordinates","168042","2020-10-21","18:00:00",""
"1539324","5.65","","5.65","","5.65","","90","","90","","90","","180.362","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Zn Se","","- Se Zn -","- Se Zn -","- Se4 Zn4 -","4","0.0416667","","Shalimova, K.V.; Botnev, A.F.; Dmitriev, V.A.; Kognovitskaya, N.Z.; Starostin, V.V.","Crystal structure of solid solutions on the Zn Se - Cd Se system","Soviet Physics, Crystallography (= Kristallografiya)","1969","14","","531","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539444","8.454","","6.398","","8.084","","90","","96.53","","90","","434.416","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ba O2 (H2 O2)2","","- Ba H4 O6 -","- Ba O6 -","- Ba4 O24 -","4","0.5","","Vannerberg, N.G.","On the system Ba O2 - H2 O - H2 O2 3. The crystal structure of alpha-, beta-, and gamma-Ba O2 (H2 O2)2 and Ba O2 H2 O2 (H2 O)2","Arkiv foer Kemi","1959","14","","125","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539446","8.18","","9.03","","6.35","","90","","95.67","","90","","466.75","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ba O2 (H2 O2)2","","- Ba H4 O6 -","- Ba O6 -","- Ba4 O24 -","4","0.5","","Vannerberg, N.G.","On the system Ba O2 - H2 O - H2 O2 3. The crystal structure of alpha-, beta-, and gamma-Ba O2 (H2 O2)2 and Ba O2 H2 O2 (H2 O)2","Arkiv foer Kemi","1959","14","","125","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539448","16.837","","6.407","","8.005","","90","","90","","90","","863.537","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ba O2 (H2 O2)2","","- Ba H4 O6 -","- Ba O6 -","- Ba8 O48 -","8","1","","Vannerberg, N.G.","On the system Ba O2 - H2 O - H2 O2 3. The crystal structure of alpha-, beta-, and gamma-Ba O2 (H2 O2)2 and Ba O2 H2 O2 (H2 O)2","Arkiv foer Kemi","1959","14","","125","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539451","4.132","","9.464","","8.308","","90","","98.58","","90","","321.25","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ba O2 H2 O2","","- Ba H2 O4 -","- Ba O4 -","- Ba4 O16 -","4","1","","Vannerberg, N.G.","On the system Ba O2 - H2 O - H2 O2 1. Investigation of the existing phases and their preparation 2. The structure of Ba O2 H2 O2","Arkiv foer Kemi","1959","14","","147","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539523","5.05","","5.05","","26.3","","90","","90","","90","","670.716","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Cs3 Mg2 Cl7","","- Cl7 Cs3 Mg2 -","- Cl7 Cs3 Mg2 -","- Cl14 Cs6 Mg4 -","2","0.0625","","Al-Aql, A.A.; Dughaish, Z.H.; Al-Jufali, A.; Flimban, A.; Hameida, E.M.A.; Al-Sheibani, K.M.","The crystal structure of the compound Cs3 Mg2 Cl7","Arab Gulf J. Scientific Research","1996","14","","249","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1539580","5.569","","7.12","","8.865","","97.55","","112.34","","108.5","","295.326","","","","","","","","","","","","","2","P 1","P 1","1","","Ti5 O9","","- O9 Ti5 -","- O9 Ti5 -","- O18 Ti10 -","2","2","","Andersson, S.","The crystal structure of Ti5 O9","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","1161","1172","","","","","","","","","","","","","","","","","","","","","","has coordinates","168527","2020-10-21","18:00:00",""
"1540090","3.7909","","3.7909","","13.212","","90","","90","","90","","189.869","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(La1.908 Sr.092) Cu O3.66","","- Cu La1.908 O3.66 Sr0.092 -","- Cu La1.926 O3.66 Sr0.094 -","- Cu2 La3.852 O7.32 Sr0.188 -","2","0.0625","","Higashi, I.; Kitazawa, H.","Single-crystal x-ray diffraction study of (La1-x Srx)2 Cu O4-delta","Kidorui","1989","14","","134","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540230","3.336","","3.336","","3.336","","90","","90","","90","","37.126","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Zn Zr -","- Zn Zr -","- Zn Zr -","1","0.0208333","","Lashko, N.F.; Morozova, G.I.","Transformations of non-equilibrium dentrite shapes in the growths of the Zn Zr phase in cast alloys of the Mg-Zn-Zr system","Soviet Physics, Crystallography (= Kristallografiya)","1969","14","","143","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540369","6.514","","3.327","","11.61","","90","","107.12","","90","","240.464","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","(Cu2 V3 S6)1.333","","- Cu2.666 S7.998 V3.999 -","- Cu2.6 S8 V4 -","- Cu2.6 S8 V4 -","1","0.25","","le Nagard, N.; Collin, G.; Gorochov, O.","Structure cristalline et proprietes physiques de Cu0.65 VS2","Materials Research Bulletin","1979","14","","155","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","169634","2020-10-21","18:00:00",""
"1540815","6.902","","6.902","","6.902","","90","","90","","90","","328.795","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Al Au4 -","- Al Au4 -","- Al4 Au16 -","4","0.333333","","Ullner, O.E.","X-ray analysis of gold-aluminium alloys","Arkiv foer Kemi, Mineralogi och Geologi","1940","14","","1","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541262","4.8129","","10.4471","","6.078","","90","","90","","90","","305.607","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Mg.26 Fe1.74) (Si O4)","","- Fe1.74 Mg0.26 O4 Si -","- Fe1.738 Mg0.262 O4 Si -","- Fe6.952 Mg1.048 O16 Si4 -","4","0.5","","Motoyama, T.; Matsumoto, T.","The crystal structures and the cation distributions of Mg and Fe of natural olivines","Mineralogical Journal (Japan)","1989","14","","338","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541279","4.016","","33.744","","11.472","","90","","90","","90","","1554.64","","","","","","","","","","","","","5","P m c 21","P 2c -2","26","","Bi11 Cu Pb S14 Se4","","- Bi11.3 Cu0.7 Pb0.7 S14.94 Se3.06 -","- Bi11.3 Cu0.7 Pb0.7 S14.94 Se3.06 -","- Bi22.6 Cu1.4 Pb1.4 S29.88 Se6.12 -","2","0.5","","Mumme, W.G.; Watts, J.A.","Pekoite, Cu Pb Bi11 S18 , a new member of the bismuthinite-aikinite mineral series; its crystal structure and relationship with naturally- and synthetically-formed members","Canadian Mineralogist","1976","14","","322","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","172570","2020-10-21","18:00:00",""
"1541656","10.1","","16.014","","7.377","","96.42","","111.15","","76.57","","1081.85","","","","","","","","","","","","","9","P -1","-P 1","2","","K1.13 Ca5.27 Y0.54 Ce0.46 ((Al0.08 Si7.92) O22.25) F (O H)","","- Al0.08 Ca5.27 Ce0.46 F H K1.13 O23.25 Si7.92 Y0.54 -","- Al0.08 Ca5.27 Ce0.46 F K1.13 O23.25 Si7.92 Y0.54 -","- Al0.16 Ca10.54 Ce0.92 F2 K2.26 O46.5 Si15.84 Y1.08 -","2","1","","Scott, J.D.","Crystal structure of miserite, a Zoltai type 5 structure","Canadian Mineralogist","1976","14","","515","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541691","10.007","","18.077","","5.332","","90","","104.101","","90","","935.477","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","K.71 Na2.14 Ca.16 Mg.11 Fe4.52 Mn.13 Ti.09 Al.31 Si7.84 O22.3 (O H) F.7","","- Al0.31 Ca0.16 F0.7 Fe4.52 H K0.71 Mg0.11 Mn0.13 Na2.14 O23.3 Si7.84 Ti0.09 -","- Al0.306 Ca0.158 F0.7 Fe4.52 K0.706 Mg0.11 Mn0.13 Na2.136 O23.3 Si7.84 Ti0.094 -","- Al0.612 Ca0.316 F1.4 Fe9.04 K1.412 Mg0.22 Mn0.26 Na4.272 O46.6 Si15.68 Ti0.188 -","2","0.25","","Hawthorne, F.C.","The crystal chemistry of the amphiboles: V. The structure and chemistry of arfvedsonite","Canadian Mineralogist","1976","14","","346","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541692","9.863","","18.048","","5.285","","90","","104.79","","90","","909.6","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","(Na0.38 K0.12 Ca1.8) Mg4.94 Fe0.06 ((Al0.2 Si7.8) O22) (O H)1.34 F0.66","","- Al0.2 Ca1.8 F0.66 Fe0.06 H1.34 K0.12 Mg4.94 Na0.38 O23.34 Si7.8 -","- Al0.2 Ca1.8 F0.66 Fe0.06 H1.34 K0.12 Mg4.94 Na0.38 O23.34 Si7.8 -","- Al0.4 Ca3.6 F1.32 Fe0.12 H2.68 K0.24 Mg9.88 Na0.76 O46.68 Si15.6 -","2","0.25","","Hawthorne, F.C.; Grundy, H.D.","The crystal chemistry of the amphiboles: IV. X-Ray and neutron refinements of the crystal structure of tremolite","Canadian Mineralogist","1976","14","","334","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541760","9.863","","18.048","","5.285","","90","","104.79","","90","","909.6","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","(Na.38 K.12 Ca1.80) Mg5 (Al.2 Si7.8) O22 (O H)1.34 F.66","","- Al0.2 Ca1.8 F0.66 H1.34 K0.12 Mg5 Na0.38 O23.34 Si7.8 -","- Al0.2 Ca1.8 F0.66 H1.34 K0.12 Mg5 Na0.38 O23.34 Si7.8 -","- Al0.4 Ca3.6 F1.32 H2.68 K0.24 Mg10 Na0.76 O46.68 Si15.6 -","2","0.25","","Hawthorne, F.C.; Grundy, H.D.","The crystal chemistry of the amphiboles: IV. X-Ray and neutron refinements of the crystal structure of tremolite","Canadian Mineralogist","1976","14","","334","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541815","2.82","","2.82","","19.14999","","90","","90","","120","","131.886","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- K0.14 Ni O2 -","- K0.14 Ni O2 -","- K0.42 Ni3 O6 -","3","0.0833333","","Bityutskii, P.N.; Khitrova, V.I.","Structure of potassium, rubidium, and cesium nickelates of composition Mex Ni O2","Kristallografiya","1969","14","","122","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541816","2.82","","2.82","","20","","90","","90","","120","","137.74","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Rb0.1 Ni O2","","- Ni O2 Rb0.1 -","- Ni O2 Rb0.1 -","- Ni3 O6 Rb0.3 -","3","0.0833333","","Bityutskii, P.N.; Khitrova, V.I.","Structure of potassium, rubidium, and cesium nickelates of composition Mex Ni O2","Kristallografiya","1969","14","","122","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541818","2.82","","2.82","","21.34","","90","","90","","120","","146.968","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cs0.1 Ni O2 -","- Cs0.1 Ni O2 -","- Cs0.3 Ni3 O6 -","3","0.0833333","","Bityutskii, P.N.; Khitrova, V.I.","Structure of potassium, rubidium, and cesium nickelates of composition Mex Ni O2","Kristallografiya","1969","14","","122","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541838","9.489","","11.429","","5.105","","90","","91.1","","90","","553.534","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Mn (Sn0.57 Ta0.25 Mn0.12 Ti0.063) (Ta1.78 Nb0.22) O8","","- Mn1.12 Nb0.22 O8 Sn0.57 Ta2.03 Ti0.063 -","- Mn1.12 Nb0.218 O8 Sn0.567 Ta2.032 Ti0.063 -","- Mn4.48 Nb0.872 O32 Sn2.268 Ta8.128 Ti0.252 -","4","0.5","","Ferguson, R.B.; Hawthorne, F.C.; Grice, J.D.","The crystal structure of tantalite, ixiolite and wodginite from Bernic Lake, Manitoba. II. Wodginite","Canadian Mineralogist","1976","14","","550","560","","","","","","","","","","","","","","","","","","","","","","has coordinates","173372","2020-10-21","18:00:00",""
"1541840","5.05","","5.05","","26.14","","90","","90","","90","","666.635","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Rb3 Mn2 Cl7","","- Cl7 Mn2 Rb3 -","- Cl7 Mn2 Rb3 -","- Cl14 Mn4 Rb6 -","2","0.0625","","Gurewitz, E.; Makovsky, J.","The two-dimensional double layered antiferromagnet Rb3 Mn2 Cl7: A neutron diffraction study","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1976","14","","2071","2077","","","","","","","","","","","","","","","","","","","","","","has coordinates","173376","2020-10-21","18:00:00",""
"1541940","8.757","","13.294","","5.744","","90","","90.17","","90","","668.688","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Na2 Mn2 (Si2 O7)","","- Mn2 Na2 O7 Si2 -","- Mn2 Na2 O7 Si2 -","- Mn8 Na8 O28 Si8 -","4","1","","Astakhova, L.P.; Simonov, V.I.","Determination of the crystal structure of Na2 Mn2 Si2 O7 by the superposition method","Kristallografiya","1969","14","","3","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1544171","7.659","0.0004","20.714","0.001","10.7415","0.0006","90","","92.162","0.003","90","","1702.91","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18.5 H25 Cl O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","2","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0677","0.0444","","","0.0932","0.101","","","","","","1.033","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544172","28.082","0.004","9.2623","0.0011","12.2258","0.0016","90","","99.923","0.007","90","","3132.4","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C152 H208 O16 -","8","2","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0483","0.0384","","","0.0984","0.1063","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544173","5.917","0.0003","11.503","0.0006","12.0635","0.0006","90","","98.153","0.002","90","","812.78","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0376","0.0353","","","0.0917","0.0935","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544174","6.4809","0.0007","9.8124","0.0013","21.726","0.002","90","","90","","90","","1381.6","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0749","0.0493","","","0.0855","0.0949","","","","","","1.006","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544175","8.424","0.005","9.093","0.007","12.323","0.007","71.63","0.02","89.35","0.02","74.44","0.03","860.2","1","293","2","293","2","","","","","","","Salvia miltiorrhiza Bge.","3","P -1","-P 1","2","DS-1","miltiolactone A","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Li, Ling-Zhi; Liang, Xiao; Sun, Xue; Qi, Xiao-Li; Wang, Jian; Zhao, Qing-Chun; Song, Shao-Jiang","Bioactive norditerpenoids and neolignans from the roots of salvia miltiorrhiza.","Organic & biomolecular chemistry","2016","14","42","10050","10057","10.1039/c6ob01784c","","","0.71073","MoKα","","0.0641","0.0458","","","0.1268","0.1355","","","","","","1.118","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544388","9.069","0.005","5.705","0.006","4.541","0.005","90","","92.29","0.001","90","","234.8","0.4","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","AlWO4","","","- Al O4 W -","- Al O4 W -","- Al4 O16 W4 -","4","0.5","","Doumerc, J.P.; Vlasse, M.; Pouchard, M.; Hagenmuller, P.","Synthese, croissance cristalline, proprietes structurales et physiques d'un nouveau tungstate +V d'aluminium AlWO4","Journal of Solid State Chemistry","1975","14","","144","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","187651","2020-10-21","18:00:00",""
"1544716","5.08854","0.00007","5.08854","0.00007","14.0924","0.0003","90","","90","","120","","316.011","0.009","","","","","","","","","","","","3","R -3","-R 3","148","FeTiO3","","ilmenite","- Fe O3 Ti -","- Fe1.03 O3 Ti0.96 -","- Fe6.18 O18 Ti5.76 -","6","","","Ohgaki, K.; Ohgaki, M.; Tanaka, K.; Marumo, F.; Takei, H.","Electron-density distribution in ilmenite-type crystals, IV. Iron (II) titanium (IV) trioxide, FeTiO3","Mineralogical Journal","1989","14","","179","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","188871","2020-10-21","18:00:00",""
"1544717","5.15329","0.00007","5.15329","0.00007","13.7806","0.0005","90","","90","","120","","316.933","0.013","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","LiTaO3","","lithium tantalum trioxide","- Li O3 Ta -","- Li O3 Ta -","- Li6 O18 Ta6 -","6","0.333333","","Ohgaki, M.; Tanaka, K.; Marumo, F.","Anharmonic thermal vibration in a crystal of lithium(I) tantalum(V) trioxide, LiTaO3","Mineralogical Journal","1989","14","","373","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","203907","2020-10-21","18:00:00",""
"1544718","5.0394","0.0009","5.0394","0.0009","13.811","0.003","90","","90","","120","","303.75","0.1","","","","","","","","","","","","3","R -3","-R 3","148","NiTiO3","","nickel titanium trioxide","- Ni O3 Ti -","- Ni O3 Ti0.99 -","- Ni6 O18 Ti5.94 -","6","","","Ohgaki, M.; Tanaka, K.; Marumo, F.; Takei, H.","Electron-density distribution in ilmenite-type crystals III. Nickel (II) titanium (IV) trioxide, NiTiO3","Mineralogical Journal","1988","14","","133","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","188873","2020-10-21","18:00:00",""
"1545252","4.767","","4.767","","4.354","","90","","90","","120","","85.686","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","Epsilon Iron Carbide","Epsilon Iron Carbide","- C Fe2.4 -","- C0.25 Fe0.6 -","- C2.5 Fe6 -","10","0.833333","","Nagakura, Sigemaro","Study of Metallic Carbides by Electron Diffraction Part III. Iron Carbides","Journal of the Physical Society of Japan","1959","14","2","186","195","10.1143/JPSJ.14.186","","","","","","","","","","","","","","","","","","","","","has coordinates","209420","2020-10-21","18:00:00",""
"1545548","7.7503","0.0003","8.9174","0.0004","26.8821","0.0011","90","","90.435","0.002","90","","1857.84","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl F N O2 -","- C21 H23 Cl F N O2 -","- C84 H92 Cl4 F4 N4 O8 -","4","1","","Lee, Hung Lin; Vasoya, Jaydip M.; Cirqueira, Marilia de Lima; Yeh, Kuan Lin; Lee, Tu; Serajuddin, Abu T. M.","Continuous Preparation of 1:1 Haloperidol-Maleic Acid Salt by a Novel Solvent-Free Method Using a Twin Screw Melt Extruder.","Molecular pharmaceutics","2017","14","4","1278","1291","10.1021/acs.molpharmaceut.7b00003","","","0.71073","MoKα","","0.0422","0.0349","","","0.0949","0.1051","","","","","","1.088","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545675","27.621","0.009","11.002","0.003","15.786","0.005","90","","102.12","0.013","90","","4690","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 Cl F N O6 -","- C25 H27 Cl F N O6 -","- C200 H216 Cl8 F8 N8 O48 -","8","1","","Lee, Hung Lin; Vasoya, Jaydip M.; Cirqueira, Marilia de Lima; Yeh, Kuan Lin; Lee, Tu; Serajuddin, Abu T. M.","Continuous Preparation of 1:1 Haloperidol-Maleic Acid Salt by a Novel Solvent-Free Method Using a Twin Screw Melt Extruder.","Molecular pharmaceutics","2017","14","4","1278","1291","10.1021/acs.molpharmaceut.7b00003","","","0.71073","MoKα","","0.0717","0.0546","","","0.1729","0.1973","","","","","","1.089","","","","has coordinates","301779","2025-08-18","16:06:50",""
"1545742","42.8927","0.0012","42.8927","0.0012","56.6605","0.0017","90","","90","","120","","90277","4","100","2","100.02","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C96 H172 Cl K4 O86 -","- C96 H172 Cl K4 O86 -","- C1728 H3096 Cl18 K72 O1548 -","18","1","","Hartlieb, Karel J.; Ferris, Daniel P.; Holcroft, James M.; Kandela, Irawati; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Encapsulation of Ibuprofen in CD-MOF and Related Bioavailability Studies.","Molecular pharmaceutics","2017","14","5","1831","1839","10.1021/acs.molpharmaceut.7b00168","","","1.54178","CuKα","","0.1","0.0928","","","0.2544","0.271","","","","","","1.223","","","","has coordinates,has disorder","204139","2020-10-21","18:00:00",""
"1546276","18.11287","0.00008","18.63331","0.00008","6.56618","0.00003","90","","90","","90","","2216.1","0.017","","","293","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- Al16 Ca5.33 H22.6 Na5.33 O91.3 Si24 -","- Al16 Ca2.608 H22.624 Na2.608 O91.312 Si24 -","- Al16 Ca2.608 H22.624 Na2.608 O91.312 Si24 -","1","0.0625","","Stahl, Kenny; Thomasson, Ronnie","The dehydration and rehydration processes in the natural zeolite mesolite studied by conventional and synchrotron X-ray powder diffraction","Zeolites","1994","14","","12","17","10.1016/0144-2449(94)90048-5","powder diffraction","x-ray","1.1999","","","","","","","","","","0.0208","","","","2.82","","","","has coordinates","197644","2020-10-21","18:00:00",""
"1546277","18.618","0.0009","19.0312","0.0009","6.5421","0.0003","90","","90","","90","","2318.02","0.19","","","293","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- Al16 Ca5.33 H46.4 Na5.33 O103.2 Si24 -","- Al16 Ca2.48 H46.768 Na2.48 O103.36 Si24 -","- Al16 Ca2.48 H46.768 Na2.48 O103.36 Si24 -","1","0.0625","","Stahl, Kenny; Thomasson, Ronnie","The dehydration and rehydration processes in the natural zeolite mesolite studied by conventional and synchrotron X-ray powder diffraction","Zeolites","1994","14","","12","17","10.1016/0144-2449(94)90048-5","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","0.0178","","","","5","","","","has coordinates","197645","2020-10-21","18:00:00",""
"1548497","8.3364","0.0001","9.3709","0.0002","21.315","0.0005","90","","90","","90","","1665.12","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Sesquiterpene","","","- C17 H26 O4 -","- C17 H26 O4 -","- C68 H104 O16 -","4","1","","Wen-Jian Lan; Sheng-Jiao Fu; Meng-Yang Xu; Wan-Ling Liang; Chi-Keung Lam; Guo-Hua Zhong; Jun Xu; De-Po Yang; Hou-Jin Li","Five New Cytotoxic Metabolites from the Marine Fungus Neosartorya pseudofischeri","Marine Drugs","2016","14","","18","","10.3390/md14010018","","","1.54178","CuKα","","0.0349","0.0326","","","0.0838","0.086","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548719","9.0668","0.0004","10.6056","0.0005","10.7678","0.0005","71.159","0.004","77.492","0.004","82.891","0.004","955.06","0.08","","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Agnieszka Skotnicka; Erkki Kolehmainen; Przemyslaw Czelen; Arto Valkonen; Ryszard Gawinecki","Synthesis and Structural Characterization of Substituted 2-Phenacylbenzoxazoles","International Journal of Molecular Sciences","2013","14","","4444","4460","10.3390/ijms14034444","","x-ray","1.54184","CuKα","","0.0486","0.0384","","","0.0938","0.102","","","","","","1.048","","","","has coordinates","205368","2020-10-21","18:00:00",""
"1548720","8.2713","0.0003","11.0619","0.0004","11.1918","0.0004","108.347","0.003","104.143","0.003","93.746","0.003","931.17","0.06","","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Agnieszka Skotnicka; Erkki Kolehmainen; Przemyslaw Czelen; Arto Valkonen; Ryszard Gawinecki","Synthesis and Structural Characterization of Substituted 2-Phenacylbenzoxazoles","International Journal of Molecular Sciences","2013","14","","4444","4460","10.3390/ijms14034444","","x-ray","1.54184","CuKα","","0.0428","0.0383","","","0.0988","0.1027","","","","","","1.022","","","","has coordinates","205369","2020-10-21","18:00:00",""
"1548809","3.25","","3.25","","4.48","","90","","90","","120","","40.98","","300","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Manganese hydroxide","Pyrochroite","- H2 Mn O2 -","- H2 Mn O2 -","- H2 Mn O2 -","1","0.0833333","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","297224","2025-01-08","13:19:49",""
"1548810","3.186","0.001","3.186","0.001","4.653","0.001","90","","90","","120","","40.9","0.02","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cobalt hydroxide","","- Co H2 O2 -","- Co H2 O2 -","- Co H2 O2 -","1","0.0833333","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","297224","2025-01-08","13:19:51",""
"1548811","3.1268","0.0001","3.1268","0.0001","4.606","0.0001","90","","90","","120","","38.999","0.002","293","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Nickel dihydroxide - beta","","- H2 Ni O2 -","- H2 Ni O2 -","- H2 Ni O2 -","1","0.0833333","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","297224","2025-01-08","13:19:51",""
"1548812","7.09","0.09","10.49","0.07","8.46","0.06","90","","107.6","0.2","90","","600","10","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tripotassium hexacyanomanganate(III)","","- C6 K3 Mn N6 -","- C6 K3 Mn N6 -","- C12 K6 Mn2 N12 -","2","0.5","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.1193","","","","","","","","","","","","","","","has coordinates","297224","2025-01-08","13:19:51",""
"1548813","6.5694","0.0002","8.8057","0.0002","3.2621","0.0001","90","","90","","90","","188.707","0.009","293","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Cobalt bis(cyanamide)","","- C2 H2 Co N4 -","- C2 H2 Co N4 -","- C4 H4 Co2 N8 -","2","0.25","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.008","","","","","","","","","","","","","","","has coordinates","297224","2025-01-08","13:19:51",""
"1548814","6.457","0.002","8.768","0.003","3.23","0.001","90","","90","","90","","182.87","0.1","293","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Nickel bis(hydrogencyanamide)","","- C2 H2 N4 Ni -","- C2 H2 N4 Ni -","- C4 H4 N8 Ni2 -","2","0.25","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","297227","2025-01-08","15:08:41",""
"1548815","6.6655","0.0007","8.7923","0.0008","3.3304","0.0003","90","","90","","90","","195.18","0.03","293","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Iron(II) bis(carbodiimide)","","- C2 H2 Fe N4 -","- C2 H2 Fe N4 -","- C4 H4 Fe2 N8 -","2","0.25","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.009","","","","","","","","","","","","","","","has coordinates","297224","2025-01-08","13:19:51",""
"1548816","3.536","0.001","3.536","0.001","6.004","0.001","90","","90","","120","","65.01","0.03","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Titanium selenide","","- Se2 Ti -","- Se2 Ti -","- Se2 Ti -","1","0.0833333","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","297224","2025-01-08","13:19:51",""
"1548817","4.5051","0.0003","4.5051","0.0003","3.1586","0.0002","90","","90","","90","","64.107","0.007","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Iridium(IV) oxide","","- Ir O2 -","- Ir O2 -","- Ir2 O4 -","2","0.125","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","297227","2025-01-08","15:08:45",""
"1548818","4.4919","0.0008","4.4919","0.0008","3.1066","0.0007","90","","90","","90","","62.68","0.02","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Ruthenium(IV) oxide","","- O2 Ru -","- O2 Ru -","- O4 Ru2 -","2","0.125","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","297224","2025-01-08","13:19:51",""
"1548819","4.5546","0.0001","4.5546","0.0001","2.8528","0.0001","90","","90","","90","","59.18","0.003","373","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Vanadium(IV) oxide - Al-doped","","- O2 V -","- O2 V -","- O4 V2 -","2","0.125","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","297224","2025-01-08","13:19:51",""
"1548820","4.8473","0.0003","4.8473","0.0003","2.8136","0.0003","90","","90","","90","","66.109","0.009","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Molybdenum(V) oxide","","- Mo O2 -","- Mo O2 -","- Mo2 O4 -","2","0.125","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.0446","","","","","","","","","","","","","","","has coordinates","297227","2025-01-08","15:08:49",""
"1548821","4.8463","0.0001","4.8463","0.0001","3.0315","0.0001","90","","90","","90","","71.2","0.003","1273","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Niobium(IV) oxide - HT","","- Nb O2 -","- Nb O2 -","- Nb2 O4 -","2","0.125","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","297224","2025-01-08","13:19:52",""
"1548822","4.773","0.001","4.773","0.001","15.642","0.001","90","","90","","120","","308.61","0.09","295","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Manganese carbonate","Rhodochrosite","- C Mn O3 -","- C Mn O3 -","- C6 Mn6 O18 -","6","0.166667","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","297227","2025-01-08","15:08:53",""
"1548823","4.6117","0.0005","4.6117","0.0005","14.735","0.002","90","","90","","120","","271.4","0.06","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","Nickel carbonate","Gaspeite","- C Ni O3 -","- C Ni O3 -","- C6 Ni6 O18 -","6","0.166667","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","297227","2025-01-08","15:09:02",""
"1548824","4.694","0.001","4.694","0.001","15.43","0.01","90","","90","","120","","294.4","0.2","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Iron carbonate","Siderite","- C Fe O3 -","- C Fe O3 -","- C6 Fe6 O18 -","6","0.166667","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","","","","","","","","","","","","","","","","has coordinates","297227","2025-01-08","15:09:03",""
"1548825","4.6618","0.0005","4.6618","0.0005","14.963","0.002","90","","90","","120","","281.62","0.06","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cobalt carbonate","Sphaerocobaltite","- C Co O3 -","- C Co O3 -","- C6 Co6 O18 -","6","0.166667","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U","Journal of Chemical Theory and Computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","297227","2025-01-08","15:09:03",""
"1548893","10.2919","0.0008","15.7509","0.0009","20.9127","0.0015","90","","90","","90","","3390.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 N4 O8 S -","- C26 H50 N4 O8 S -","- C104 H200 N16 O32 S4 -","4","1","","Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.","From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.","Soft matter","2018","14","12","2357","2364","10.1039/c7sm02495a","","","0.71073","MoKα","","0.1202","0.0457","","","0.1094","0.1417","","","","","","0.986","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1548894","10.0952","0.0013","16.406","0.002","10.2489","0.0014","90","","90.105","0.003","90","","1697.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H50 N4 O8 S -","- C26 H50 N4 O8 S -","- C52 H100 N8 O16 S2 -","2","1","","Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.","From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.","Soft matter","2018","14","12","2357","2364","10.1039/c7sm02495a","","","0.71073","MoKα","","0.1287","0.07","","","0.1457","0.1725","","","","","","1.024","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1548895","9.5629","0.0006","15.744","0.0009","21.1445","0.0013","90","","90","","90","","3183.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N4 O8 S -","- C24 H46 N4 O8 S -","- C96 H184 N16 O32 S4 -","4","1","","Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.","From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.","Soft matter","2018","14","12","2357","2364","10.1039/c7sm02495a","","","0.71073","MoKα","","0.095","0.0484","","","0.1112","0.1355","","","","","","1.053","","","","has coordinates,has disorder","301779","2025-08-18","16:06:56",""
"1548896","9.51","0.0009","15.8715","0.0012","10.7748","0.0011","90","","105.503","0.003","90","","1567.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H46 N4 O8 S -","- C24 H46 N4 O8 S -","- C48 H92 N8 O16 S2 -","2","1","","Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.","From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.","Soft matter","2018","14","12","2357","2364","10.1039/c7sm02495a","","","0.71073","MoKα","","0.1276","0.0603","","","0.1211","0.1491","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549712","9.2108","0.0008","9.4525","0.0008","29.308","0.003","87.928","0.002","83.132","0.001","71.201","0.001","2398.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H58 Cl N8 O8 -","- C42 H79 Cl N2 O8 -","- C84 H158 Cl2 N4 O16 -","2","1","","Chen, Xiao-Xiao; Liu, Qi; Guo, Yan; Yan, Hui; Li, Jing; Lv, Dong-Mei; Zhang, Jun-Hong; Liu, Min; Yao, Chun-Hong; Wei, Xi-Lian","Effects of additives on the viscoelastic responses of cationic gemini surfactant solutions.","Soft matter","2018","14","32","6696","6707","10.1039/c8sm01268g","","","0.71073","MoKα","","0.2698","0.1075","","","0.2672","0.3444","","","","","","0.944","","","","has coordinates","230974","2020-10-21","18:00:00",""
"1550029","23.0581","0.0013","16.6608","0.0012","15.1185","0.001","90","","90","","90","","5808","0.7","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H22 N2 O -","- C14 H22 N2 O -","- C224 H352 N32 O16 -","16","4","","Peveler, William J.; Packman, Hollie; Alexander, Shirin; Chauhan, Raamanand R.; Hayes, Lilian M.; Macdonald, Thomas J.; Cockcroft, Jeremy K.; Rogers, Sarah; Aarts, Dirk G. A. L.; Carmalt, Claire J.; Parkin, Ivan P.; Bear, Joseph C.","A new family of urea-based low molecular-weight organogelators for environmental remediation: the influence of structure.","Soft matter","2018","14","43","8821","8827","10.1039/c8sm01682h","","x-ray","1.54184","CuKα","","0.2145","0.168","","","0.415","0.4677","","","","","","1.631","","","","has coordinates,has disorder","230975","2020-10-21","18:00:00",""
"1550030","12.9354","0.0002","11.92","0.0002","27.3126","0.0004","90","","93.311","0.001","90","","4204.3","0.11","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N2 O -","- C14 H22 N2 O -","- C168 H264 N24 O12 -","12","3","","Peveler, William J.; Packman, Hollie; Alexander, Shirin; Chauhan, Raamanand R.; Hayes, Lilian M.; Macdonald, Thomas J.; Cockcroft, Jeremy K.; Rogers, Sarah; Aarts, Dirk G. A. L.; Carmalt, Claire J.; Parkin, Ivan P.; Bear, Joseph C.","A new family of urea-based low molecular-weight organogelators for environmental remediation: the influence of structure.","Soft matter","2018","14","43","8821","8827","10.1039/c8sm01682h","","x-ray","1.54184","CuKα","","0.0524","0.0427","","","0.1074","0.1152","","","","","","1.027","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550031","8.8209","0.0001","19.6496","0.0002","20.2318","0.0001","90","","90","","90","","3506.72","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O -","- C17 H28 N2 O -","- C136 H224 N16 O8 -","8","2","","Peveler, William J.; Packman, Hollie; Alexander, Shirin; Chauhan, Raamanand R.; Hayes, Lilian M.; Macdonald, Thomas J.; Cockcroft, Jeremy K.; Rogers, Sarah; Aarts, Dirk G. A. L.; Carmalt, Claire J.; Parkin, Ivan P.; Bear, Joseph C.","A new family of urea-based low molecular-weight organogelators for environmental remediation: the influence of structure.","Soft matter","2018","14","43","8821","8827","10.1039/c8sm01682h","","x-ray","1.54184","CuKα","","0.0576","0.0543","","","0.1549","0.1601","","","","","","1.033","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550205","8.9115","0.0002","16.2345","0.0003","32.4328","0.0007","90","","90","","90","","4692.17","0.17","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H38 N4 O2 -","- C22 H38 N4 O2 -","- C176 H304 N32 O16 -","8","1","","Dawn, Arnab; Mirzamani, Marzieh; Jones, Christopher D.; Yufit, Dmitry S.; Qian, Shuo; Steed, Jonathan W.; Kumari, Harshita","Investigating the effect of supramolecular gel phase crystallization on gel nucleation.","Soft matter","2018","14","46","9489","9497","10.1039/c8sm01916a","","x-ray","0.71073","MoKα","","0.0934","0.0637","","","0.1549","0.1738","","","","","","1.029","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1556124","7.7887","0.0016","14.737","0.003","21.142","0.004","90","","90","","90","","2426.7","0.8","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","frojc02","","","- C26 H30 I N O5 -","- C26 H30 I N O5 -","- C104 H120 I4 N4 O20 -","4","1","","Ciesielski, Jennifer; Cariou, Kevin; Frontier, Alison J.","A macrocyclic β-iodoallenolate intermediate is key: synthesis of the ABD core of phomactin A.","Organic letters","2012","14","16","4082","4085","10.1021/ol3017116","","","0.71073","MoKα","","0.0672","0.0418","","","0.0783","0.087","","","","","","0.995","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556125","6.9621","0.0012","36.328","0.006","6.9667","0.0012","90","","117.642","0.002","90","","1560.9","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","frojc01","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","2","","Ciesielski, Jennifer; Cariou, Kevin; Frontier, Alison J.","A macrocyclic β-iodoallenolate intermediate is key: synthesis of the ABD core of phomactin A.","Organic letters","2012","14","16","4082","4085","10.1021/ol3017116","","","0.71073","MoKα","","0.1155","0.0858","","","0.2293","0.2512","","","","","","1.059","","","","has coordinates,has disorder","243487","2020-10-21","18:00:00",""
"1556126","9.6487","0.0014","12.0714","0.0017","19.866","0.003","90","","90","","90","","2313.9","0.6","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ubsc13","","","- C26 H28 N2 O4 S -","- C26 H28 N2 O4 S -","- C104 H112 N8 O16 S4 -","4","1","","Sequeira, Fatima C.; Chemler, Sherry R.","Stereoselective synthesis of morpholines via copper-promoted oxyamination of alkenes.","Organic letters","2012","14","17","4482","4485","10.1021/ol301984b","","","0.71073","MoKα","","0.0476","0.0385","","","0.0927","0.0983","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556127","7.8732","0.0009","7.9554","0.0009","9.7428","0.0011","91.356","0.002","108.391","0.002","92.72","0.002","577.93","0.11","100","0.5","100","0.5","","","","","","","","3","P -1","-P 1","2","brkrm02","","","- C12 H12 O7 -","- C12 H12 O7 -","- C24 H24 O14 -","2","1","","Meck, Christine; Mohd, Noushad; Murelli, Ryan P.","An oxidopyrylium cyclization/ring-opening route to polysubstituted α-hydroxytropolones.","Organic letters","2012","14","23","5988","5991","10.1021/ol302892g","","","0.71073","MoKα","","0.07","0.0494","","","0.1291","0.1427","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1564399","13.9722","0.0007","17.5232","0.0008","19.1562","0.0009","94.993","0.004","108.44","0.004","91.696","0.004","4424.4","0.4","149.98","0.1","149.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H37 Br2 N S3 -","- C29 H37 Br2 N S3 -","- C174 H222 Br12 N6 S18 -","6","3","","Yuan, Xiyue; Zhao, Yunli; Zhan, Tao; Oh, Jiyeon; Zhou, Jiadong; Li, Junyu; Wang, Xiaojing; Wang, Zhiqiang; Pang, Shuting; Cai, Ping; Yang, Changduk; He, Zhicai; Xie, Zengqi; Duan, Chunhui; Huang, Fei; Cao, Yong","A donor polymer based on 3-cyanothiophene with superior batch-to-batch reproducibility for high-efficiency organic solar cells","Energy & Environmental Science","2021","14","10","5530","5540","10.1039/D1EE01957K","","x-ray","1.54184","CuKα","","0.1726","0.0857","","","0.2003","0.2572","","","","","","0.948","","","","has coordinates","270451","2021-11-06","20:10:12",""
"1565640","8.1","0.002","8.269","0.002","9.997","0.003","90","","99.57","0.03","90","","660.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 Cl N O4 -","- C3 H8 Cl N O4 -","- C12 H32 Cl4 N4 O16 -","4","1","","Gao, Zhangran; Wu, Yuying; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Cai, Hong-Ling; Wu, X. S.","Large dielectric switch effects induced by an order-disorder transformation in cyclopropylamine perchlorate crystals.","Nanoscale","2022","14","3","675","679","10.1039/d1nr04851a","","x-ray","0.71073","MoKα","","0.1148","0.0753","","","0.188","0.2248","","","","","","0.9533","","","","has coordinates","272706","2022-02-04","19:51:24",""
"1565641","4.9117","0.0004","8.1838","0.0006","8.056","0.0008","90","","99.683","0.009","90","","319.21","0.05","195","2","195","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H8 Cl N O4 -","- C3 H8 Cl N O4 -","- C6 H16 Cl2 N2 O8 -","2","1","","Gao, Zhangran; Wu, Yuying; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Cai, Hong-Ling; Wu, X. S.","Large dielectric switch effects induced by an order-disorder transformation in cyclopropylamine perchlorate crystals.","Nanoscale","2022","14","3","675","679","10.1039/d1nr04851a","","","0.71073","MoKα","","0.0804","0.0646","","","0.1734","0.1923","","","","","","1.134","","","","has coordinates,has disorder","272706","2022-02-04","19:51:25",""
"1565779","22.7267","0.0014","22.7267","0.0014","27.59","0.002","90","","90","","120","","12341.1","1.4","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C81 H186 Ag20 O27 P12 Pt S24 -","- C81 H186 Ag20 O27 P12 Pt S24 -","- C243 H558 Ag60 O81 P36 Pt3 S72 -","3","0.333333","","Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Chiu, Tzu-Hao; Liao, Jian-Hong; Liu, C. W.; Saillard, Jean-Yves","Alloying dichalcogenolate-protected Ag<sub>21</sub> eight-electron nanoclusters: a DFT investigation.","Nanoscale","2021","14","1","196","203","10.1039/d1nr06019h","","","0.71073","MoKα","","0.0522","0.0491","","","0.1194","0.1231","","","","","","1.044","","","","has coordinates,has disorder","272705","2022-02-04","19:51:15",""
"1565845","14.33767","0.00006","14.33767","","21.39635","0.00014","90","","90","","120","","3809.14","0.03","","","","","","","","","","","","4","P 32","P 32","145","","","","- C45 N7 O10 S -","- C45 N7 O10 S -","- C135 N21 O30 S3 -","3","1","","Jeong, Rokam; Eom, Jae-Hoon; Gong, Jintaek; Kang, Minsang; Kim, Jaewook; Lee, Hee-Seung","Programmed hierarchical radial association of anisotropic foldamer assemblies.","Nanoscale","2022","14","5","1700","1705","10.1039/d1nr05135k","powder diffraction","x-ray","1.5173","","","","","","","","","0.16238","","2.31","","","","","","","has coordinates","272707","2022-02-04","19:51:38",""
"1565931","11.7531","0.0005","23.1655","0.0012","13.3165","0.0007","90","","95.94","0.005","90","","3606.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H94 Cl4 P2 Pt2 S4 -","- C78 H94 Cl4 P2 Pt2 S4 -","- C156 H188 Cl8 P4 Pt4 S8 -","2","0.5","","Lin, Xinzhang; Zhang, Junying; Tang, Jie; Yang, Yang; Liu, Chao; Huang, Jiahui","Atomically precise structures of Pt<sub>2</sub>(S-Adam)<sub>4</sub>(PPh<sub>3</sub>)<sub>2</sub> complexes and catalytic application in propane dehydrogenation.","Nanoscale","2022","14","6","2482","2489","10.1039/d1nr07286b","","x-ray","0.71073","MoKα","","0.0486","0.0312","","","0.0624","0.0707","","","","","","1.091","","","","has coordinates,has disorder","273378","2022-03-04","22:17:10",""
"1565932","14.31","0.003","17.506","0.004","14.665","0.003","90","","100.92","0.03","90","","3607.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H90 P2 Pt2 S4 -","- C76 H90 P2 Pt2 S4 -","- C152 H180 P4 Pt4 S8 -","2","0.5","","Lin, Xinzhang; Zhang, Junying; Tang, Jie; Yang, Yang; Liu, Chao; Huang, Jiahui","Atomically precise structures of Pt<sub>2</sub>(S-Adam)<sub>4</sub>(PPh<sub>3</sub>)<sub>2</sub> complexes and catalytic application in propane dehydrogenation.","Nanoscale","2022","14","6","2482","2489","10.1039/d1nr07286b","","","0.71073","MoKα","","0.0303","0.0288","","","0.0761","0.0776","","","","","","1.025","","","","has coordinates","273378","2022-03-04","22:17:10",""
"1565933","13.016","0.002","13.366","0.003","14.337","0.002","62.656","0.018","63.186","0.019","69.974","0.017","1948.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H90 P2 Pt2 S4 -","- C76 H90 P2 Pt2 S4 -","- C76 H90 P2 Pt2 S4 -","1","0.5","","Lin, Xinzhang; Zhang, Junying; Tang, Jie; Yang, Yang; Liu, Chao; Huang, Jiahui","Atomically precise structures of Pt<sub>2</sub>(S-Adam)<sub>4</sub>(PPh<sub>3</sub>)<sub>2</sub> complexes and catalytic application in propane dehydrogenation.","Nanoscale","2022","14","6","2482","2489","10.1039/d1nr07286b","","","0.71073","MoKα","","0.145","0.0911","","","0.2075","0.2333","","","","","","0.938","","","","has coordinates","273378","2022-03-04","22:17:10",""
"1566103","46.413","0.011","27.613","0.007","47.653","0.01","90","","108.954","0.004","90","","57761","2","120.01","","120.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C720 H1080 Ag296 Cl112 F72 Sb12 -","- C720 H1080 Ag296 Cl112 F72 Sb12 -","- C1440 H2160 Ag592 Cl224 F144 Sb24 -","2","0.5","","Jiang, Zhan-Guo; Wu, Wei-Hong; Jin, Bo-Xing; Zeng, Hui-Min; Jin, Zhi-Gang; Zhan, Cai-Hong","A chloride-doped silver-sulfide cluster [Ag<sub>148</sub>S<sub>26</sub>Cl<sub>30</sub>(CCBu<sup><i>t</i></sup>)<sub>60</sub>]<sup>6+</sup>: hierarchical assembly, enhanced luminescence and cytotoxicity to cancer cells.","Nanoscale","2022","14","5","1971","1977","10.1039/d1nr07170j","","","0.71073","MoKα","","0.182","0.1083","","","0.2814","0.32","","","","","","1.053","","","","has coordinates,has disorder","272708","2022-02-04","19:52:30",""
"1566104","46.413","0.011","27.613","0.007","47.653","0.01","90","","108.954","0.004","90","","57761","2","120.01","","120.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C720 H1080 Ag296 F72 S112 Sb12 -","- C720 H1080 Ag296 F72 S112 Sb12 -","- C1440 H2160 Ag592 F144 S224 Sb24 -","2","0.5","","Jiang, Zhan-Guo; Wu, Wei-Hong; Jin, Bo-Xing; Zeng, Hui-Min; Jin, Zhi-Gang; Zhan, Cai-Hong","A chloride-doped silver-sulfide cluster [Ag<sub>148</sub>S<sub>26</sub>Cl<sub>30</sub>(CCBu<sup><i>t</i></sup>)<sub>60</sub>]<sup>6+</sup>: hierarchical assembly, enhanced luminescence and cytotoxicity to cancer cells.","Nanoscale","2022","14","5","1971","1977","10.1039/d1nr07170j","","","0.71073","MoKα","","0.1822","0.1085","","","0.2813","0.3201","","","","","","1.048","","","","has coordinates,has disorder","272708","2022-02-04","19:52:30",""
"1566120","10.8287","0.0015","20.646","0.002","15.0174","0.0018","90","","100.878","0.011","90","","3297.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cu N5 O5 S -","- C13 H15 Cu N5 O5 S -","- C104 H120 Cu8 N40 O40 S8 -","8","2","","Khavasi, Hamid Reza; Sasan, Koroush; Hashjin, Shahin Sowlati; Zahedi, Mansour","A new mixed-ligand complex of copper(II) containing N-(2-pyridylmethyl)-2-pyrazinecarboxamide (NPyPzCa): Synthesis, molecular and crystal structure and properties of [Cu(NPyPzCa)(NO3)(DMSO)]","Comptes Rendus Chimie","2011","14","6","563","567","10.1016/j.crci.2010.11.006","","","0.71073","MoKα","","0.0871","0.0814","","","0.1806","0.1925","","","","","","1.356","","","","has coordinates","272221","2022-01-25","10:20:25",""
"1566929","6.6931","0.0002","8.4975","0.0002","9.8328","0.0002","90","","102.711","0.0009","90","","545.53","0.02","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H8 Cr N4 Ni O5 -","- C8 H8 Cr N4 Ni O5 -","- C16 H16 Cr2 N8 Ni2 O10 -","2","1","","Tang, Hsu-Yen; Lee, Gene-Hsiang; Ng, Kwai-Kong; Yang, Chen-I","A Three-Dimensional Coordination Framework with a Ferromagnetic Coupled Ni(II)-CrO4 Layer: Synthesis, Structure, and Magnetic Studies","Polymers","2022","14","9","1735","","10.3390/polym14091735","","","0.71073","MoKα","","0.0274","0.0255","","","0.0598","0.0611","","","","","","1.03","","","","has coordinates,has disorder","275147","2022-05-06","21:51:17",""
"1567970","18.9568","0.0009","8.083","0.0003","19.9282","0.0009","90","","114.25","0.002","90","","2784.1","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[VO(TrPP)]","((5,10,15-triphenyl porphyrinate)-oxovanadium(IV))","","- C38 H24 N4 O V -","- C38 H24 N4 O V -","- C152 H96 N16 O4 V4 -","4","1","","Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta","An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.","Chemical science","2022","14","1","61","69","10.1039/d2sc04969d","","","1.54178","CuKα","","0.0876","0.0831","","","0.2182","0.2246","","","","","","1.066","","","","has coordinates","281341","2023-03-04","17:46:57",""
"1567971","20.8648","0.0013","27.1717","0.0013","11.4881","0.0006","90","","90","","90","","6513","0.6","104","","104","","","","","","","","","5","C c c 2","C 2 -2c","37","[VO(TrPP)]2","((m2-5,5',10,10',15,15'-triphenyl-20,20'-bisporphyrinato)-di-oxovanadium(iv))","","- C19 H11.5 N2 O0.5 V0.5 -","- C19 H11.5 N2 O0.5 V0.5 -","- C304 H184 N32 O8 V8 -","16","2","","Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta","An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.","Chemical science","2022","14","1","61","69","10.1039/d2sc04969d","","","1.54178","CuKα","","0.0741","0.0733","","","0.218","0.2188","","","","","","1.049","","","","has coordinates","281341","2023-03-04","17:46:57",""
"1567972","29.2955","0.0012","11.3883","0.0005","22.5512","0.0009","90","","96.942","0.002","90","","7468.5","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[VO(TrPP)]2(C7H8)3","((m2-5,5',10,10',15,15'-triphenyl-20,20'-bisporphyrinato)-di-oxovanadium(iv)) toluene tris-solvate","","- C97 H46 N8 O2 V2 -","- C97 H46 N8 O2 V2 -","- C388 H184 N32 O8 V8 -","4","0.5","","Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta","An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.","Chemical science","2022","14","1","61","69","10.1039/d2sc04969d","","","1.54178","CuKα","","0.0665","0.0638","","","0.1636","0.1655","","","","","","1.104","","","","has coordinates","281341","2023-03-04","17:46:57",""
"1567996","22.1165","0.0004","22.1165","0.0004","22.1165","0.0004","90","","90","","90","","10818.1","0.3","119.6","0.8","119.6","0.8","","","","","","","","7","P m -3 n","-P 4n 2 3","223","","","","- C42 H42 Cl6 Fe6 N6 O38 Pd3 -","- C42 H42 Cl6 Fe6 N6 O38 Pd3 -","- C168 H168 Cl24 Fe24 N24 O152 Pd12 -","4","0.0833333","","Miguel-Casañ, Eugenia; Darawsheh, Mohanad D.; Fariña-Torres, Víctor; Vitórica-Yrezábal, Iñigo J; Andres-Garcia, Eduardo; Fañanás-Mastral, Martín; Mínguez Espallargas, Guillermo","Heterometallic palladium-iron metal-organic framework as a highly active catalyst for cross-coupling reactions.","Chemical science","2022","14","1","179","185","10.1039/d2sc05192c","","x-ray","0.71073","MoKα","","0.0598","0.0492","","","0.1301","0.137","","","","","","1.05","","","","has coordinates","283151","2023-05-05","00:54:35",""
"1567997","6.0662","0.0001","6.7946","0.0001","13.7817","0.0003","90","","90","","90","","568.046","0.018","137","6","137","6","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C2 H2 I2 O4 Pb Rb2 -","- C2 H2 I2 O4 Pb Rb2 -","- C4 H4 I4 O8 Pb2 Rb4 -","2","0.25","","Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy.","Chemical science","2022","14","1","136","142","10.1039/d2sc05216d","","x-ray","1.3405","GaKα","","0.0186","0.0185","","","0.0421","0.0421","","","","","","1.128","","","","has coordinates","281340","2023-03-04","17:46:37",""
"1567998","5.8024","0.0001","6.774","0.0002","13.626","0.0004","90","","90","","90","","535.58","0.02","293","2","293","2","","","","","","","","6","A m m 2","A 2 -2","38","","","","- C2 H2 I2 K2 O4 Pb -","- C2 H2 I2 K2 O4 Pb -","- C4 H4 I4 K4 O8 Pb2 -","2","0.25","","Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao","New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy.","Chemical science","2022","14","1","136","142","10.1039/d2sc05216d","","x-ray","1.3405","GaKα","","0.0193","0.0193","","","0.0465","0.0465","","","","","","1.088","","","","has coordinates","281340","2023-03-04","17:46:37",""
"1567999","19.568","0.004","10.61","0.004","30.314","0.006","90","","90","","90","","6294","3","213","2","293","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C20 H30 Cu3 N6 Na O4 S6 -","- C20 H30 Cu3 N6 Na O4 S6 -","- C160 H240 Cu24 N48 Na8 O32 S48 -","8","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0416","0.0318","","","0.0722","0.0747","","","","","","1.443","","","","has coordinates","283159","2023-05-05","01:02:33",""
"1568000","9.7142","0.0007","18.2617","0.0016","13.1518","0.0012","90","","97.378","0.003","90","","2313.8","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 Ni O4 Pd S4 -","- C18 H22 N2 Ni O4 Pd S4 -","- C72 H88 N8 Ni4 O16 Pd4 S16 -","4","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0546","0.0321","","","0.0546","0.0598","","","","","","1.021","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568001","9.7593","0.0007","18.2739","0.0012","13.1854","0.0008","90","","97.317","0.002","90","","2332.3","0.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Co N2 O4 Pd S4 -","- C18 H22 Co N2 O4 Pd S4 -","- C72 H88 Co4 N8 O16 Pd4 S16 -","4","0.5","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0431","0.0287","","","0.0514","0.0555","","","","","","1.029","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568002","8.4782","0.0004","12.2733","0.0005","19.6523","0.0008","90","","93.668","0.002","90","","2040.74","0.15","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 Ni O6 Pt S4 -","- C13 H16 N2 Ni O6 Pt S4 -","- C52 H64 N8 Ni4 O24 Pt4 S16 -","4","1","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.0465","0.0318","","","0.0637","0.0686","","","","","","1.016","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568003","8.4707","0.001","12.2809","0.0013","19.82","0.002","90","","93.914","0.004","90","","2057","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Co N2 O6 Pt S4 -","- C13 H16 Co N2 O6 Pt S4 -","- C52 H64 Co4 N8 O24 Pt4 S16 -","4","1","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.033","0.0226","","","0.0391","0.0417","","","","","","1.037","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568004","8.4637","0.0004","12.3085","0.0007","19.8273","0.0011","90","","93.171","0.002","90","","2062.36","0.19","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Co N2 O6 Pd S4 -","- C13 H16 Co N2 O6 Pd S4 -","- C52 H64 Co4 N8 O24 Pd4 S16 -","4","1","","Larsen, Emil M. H.; Bonde, Niels A.; Weihe, Høgni; Ollivier, Jacques; Vosch, Tom; Lohmiller, Thomas; Holldack, Karsten; Schnegg, Alexander; Perfetti, Mauro; Bendix, Jesper","Experimental assignment of long-range magnetic communication through Pd & Pt metallophilic contacts.","Chemical science","2023","14","2","266","276","10.1039/d2sc05201f","","","0.71073","MoKα","","0.043","0.0325","","","0.0693","0.0747","","","","","","1.069","","","","has coordinates","283159","2023-05-05","01:02:34",""
"1568005","10.4208","0.0009","10.7638","0.0009","11.9994","0.001","99.167","0.002","94.905","0.002","94.346","0.002","1318.41","0.19","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 O2 P -","- C37 H27 O2 P -","- C74 H54 O4 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0968","0.0572","","","0.1114","0.1248","","","","","","1.031","","","","has coordinates","282621","2023-04-13","12:20:28",""
"1568006","9.0075","0.0006","15.4256","0.0007","20.8849","0.0016","90","","93.52","0.002","90","","2896.4","0.3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B F4.03 N P -","- C38 H29 B F3.949 N P -","- C152 H116 B4 F15.796 N4 P4 -","4","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.1432","0.0619","","","0.1245","0.1543","","","","","","1.01","","","","has coordinates,has disorder","282621","2023-04-13","12:20:29",""
"1568007","10.796","0.002","12.644","0.003","12.984","0.003","86.86","0.03","86.71","0.03","79.67","0.03","1739","0.7","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H31 Au B Cl3 F4 N P -","- C39 H31 Au B Cl3 F4 N P -","- C78 H62 Au2 B2 Cl6 F8 N2 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0596","0.0419","","","0.0802","0.0858","","","","","","1.021","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568008","8.73","0.0005","13.2735","0.0007","14.5419","0.0008","80.962","0.002","75.294","0.001","80.841","0.002","1597.04","0.15","110","","110","","","","","","","","","9","P -1","-P 1","2","","","","- C34 H25 Au Cl F3 N O4 P S -","- C34 H25 Au Cl F3 N O4 P S -","- C68 H50 Au2 Cl2 F6 N2 O8 P2 S2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0186","0.017","","","0.0404","0.0412","","","","","","1.043","","","","has coordinates,has disorder","282621","2023-04-13","12:20:29",""
"1568009","8.0558","0.0004","13.0237","0.0006","13.3743","0.0006","89.998","0.001","86.084","0.001","84.721","0.001","1393.94","0.11","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H26 B F4 O P -","- C37 H26 B F4 O P -","- C74 H52 B2 F8 O2 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0734","0.0592","","","0.1518","0.1621","","","","","","1.078","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568010","10.4379","0.0003","12.0326","0.0004","12.5622","0.0004","79.075","0.001","70.549","0.001","74.216","0.001","1423.07","0.08","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Au B Cl O P -","- C36 H26 Au B Cl O P -","- C72 H52 Au2 B2 Cl2 O2 P2 -","2","1","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","x-ray","0.71073","MoKα","","0.0153","0.014","","","0.0326","0.033","","","","","","1.09","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568011","31.863","0.004","9.1593","0.0011","25.398","0.004","90","","113.066","0.007","90","","6819.6","1.6","110","","110","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C77 H56 Au2 Cl4 F6 O9 P2 S2 -","- C77 H56 Au2 Cl4 F6 O9 P2 S2 -","- C308 H224 Au8 Cl16 F24 O36 P8 S8 -","4","0.5","","Liu, Wei-Chun; Gabbaï, François P.","Placing gold on a π±surface: ligand design and impact on reactivity","Chemical Science","2023","14","2","277","283","10.1039/D2SC05574K","","","0.71073","MoKα","","0.0725","0.0406","","","0.0806","0.0941","","","","","","1.033","","","","has coordinates,has disorder","282621","2023-04-13","12:20:29",""
"1568013","10.939","0.0006","13.109","0.0006","18.4122","0.001","85.943","0.004","80.643","0.004","72.033","0.004","2477.5","0.2","173.01","0.1","173.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 Cl7 P2 Re -","- C54 H46 Cl7 P2 Re -","- C108 H92 Cl14 P4 Re2 -","2","1","","Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.","Chemical science","2022","14","1","96","102","10.1039/d2sc05378k","","x-ray","1.54184","CuKα","","0.0324","0.0283","","","0.0678","0.0699","","","","","","1.025","","","","has coordinates","281339","2023-03-04","17:46:30",""
"1568014","11.082","0.0002","18.4374","0.0003","15.6667","0.0003","90","","107.276","0.002","90","","3056.66","0.1","100.01","0.1","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cl3 P2 Re -","- C32 H36 Cl3 P2 Re -","- C128 H144 Cl12 P8 Re4 -","4","0.5","","Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.","Chemical science","2022","14","1","96","102","10.1039/d2sc05378k","","x-ray","1.54184","CuKα","","0.0174","0.0167","","","0.0417","0.0421","","","","","","1.041","","","","has coordinates","281339","2023-03-04","17:46:30",""
"1568015","23.4928","0.0003","11.58031","0.00015","13.76598","0.00019","90","","90","","90","","3745.09","0.09","220.02","0.1","220.02","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H38 Cl3 P2 Re -","- C42 H38 Cl3 P2 Re -","- C168 H152 Cl12 P8 Re4 -","4","1","","Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen","Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.","Chemical science","2022","14","1","96","102","10.1039/d2sc05378k","","x-ray","1.54184","CuKα","","0.0394","0.0357","","","0.0952","0.0996","","","","","","1.002","","","","has coordinates","281339","2023-03-04","17:46:30",""
"1568016","14.6467","0.0011","14.7349","0.0012","18.2076","0.0014","90","","90","","90","","3929.5","0.5","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22.31 H21.62 Cl0.62 N3 O2 -","- C22.3114 H21.6228 Cl0.6228 N3 O2 -","- C178.491 H172.982 Cl4.9824 N24 O16 -","8","2","","Luo, Mu-Peng; Gu, Yi-Jie; Wang, Shou-Guo","Photocatalytic enantioselective Minisci reaction of β-carbolines and application to natural product synthesis.","Chemical science","2023","14","2","251","256","10.1039/d2sc05313f","","x-ray","1.34138","GaKα","","0.0385","0.0364","","","0.1036","0.1048","","","","","","1.045","","","","has coordinates,has disorder","281364","2023-03-04","17:54:17",""
"1568017","15.8351","0.0015","23.18","0.002","17.8789","0.0018","90","","103.973","0.004","90","","6368.4","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H70 Br2 Cl2 N2 Ni -","- C77 H70 Br2 Cl2 N2 Ni -","- C308 H280 Br8 Cl8 N8 Ni4 -","4","1","","Yan, Zhengpeng; Chang, Guanru; Zou, Wenping; Luo, Gen; Dai, Shengyu","Synthesis of lightly branched ultrahigh-molecular-weight polyethylene using cationic benzocyclohexyl nickel catalysts","Polymer Chemistry","2023","14","2","183","190","10.1039/D2PY01087A","","","0.71073","MoKα","","0.1312","0.0503","","","0.0757","0.0843","","","","","","1.067","","","","has coordinates","281609","2023-03-04","18:47:36",""
"1568021","17.5318","0.0003","17.5318","0.0003","17.5318","0.0003","90","","90","","90","","5388.64","0.16","293","2","293.15","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C120 H96 Cu6 F36 N32 Si6 -","- C120 H96 Cu6 F36 N32 Si6 -","- C120 H96 Cu6 F36 N32 Si6 -","1","0.0208333","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","0.71073","MoKα","","0.0632","0.053","","","0.1725","0.1813","","","","","","1.133","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04",""
"1568022","17.5254","0.0005","17.5254","0.0005","17.5254","0.0005","90","","90","","90","","5382.7","0.3","100","2","100","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C32 H32 Cu F6 N5.33 Si -","- C32 H32 Cu F6 N5.33333 Si -","- C192 H192 Cu6 F36 N32 Si6 -","6","0.125","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","1.54178","CuKα","","0.0523","0.0514","","","0.1982","0.1993","","","","","","1.19","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04",""
"1568023","17.4998","0.0005","17.4998","0.0005","17.4998","0.0005","90","","90","","90","","5359.2","0.3","101","2","101","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C29 H34 Cu F6 N5.33 Si -","- C29 H34 Cu F6 N5.33333 Si -","- C174 H204 Cu6 F36 N32 Si6 -","6","0.125","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","0.71073","MoKα","","0.1082","0.0926","","","0.2925","0.3134","","","","","","1.106","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04",""
"1568024","17.5051","0.0003","17.5051","0.0003","17.5051","0.0003","90","","90","","90","","5364.06","0.16","102","2","102","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C20 H16 Cu F6 N5.33 Si -","- C20 H16 Cu F6 N5.33333 Si -","- C120 H96 Cu6 F36 N32 Si6 -","6","0.125","","Jiang, Yunjia; Wang, Lingyao; Yan, Tongan; Hu, Jianbo; Sun, Wanqi; Krishna, Rajamani; Wang, Dongmei; Gu, Zonglin; Liu, Dahuan; Cui, Xili; Xing, Huabin; Zhang, Yuanbin","Insights into the thermodynamic-kinetic synergistic separation of propyne/propylene in anion pillared cage MOFs with entropy-enthalpy balanced adsorption sites.","Chemical science","2023","14","2","298","309","10.1039/d2sc05742e","","","0.71073","MoKα","","0.0457","0.0362","","","0.111","0.1174","","","","","","1.24","","","","has coordinates,has disorder","281365","2023-03-04","17:55:04",""
"1568025","21.815","0.002","24.526","0.003","8.429","0.002","90","","95.275","0.003","90","","4490.7","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H51 N5 O4 -","- C59 H51 N5 O4 -","- C236 H204 N20 O16 -","4","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","0.61992","synchrotron","","0.0647","0.0536","","","0.1517","0.1642","","","","","","1.088","","","","has coordinates","283161","2023-05-05","01:03:25",""
"1568026","8.3457","0.0003","9.3455","0.0003","17.6411","0.0006","95.16","0.002","99.293","0.002","115.715","0.002","1203.41","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","1","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.0796","0.0684","","","0.1687","0.1819","","","","","","1.055","","","","has coordinates","283161","2023-05-05","01:03:29",""
"1568027","8.2004","0.0005","31.668","0.002","10.204","0.0007","90","","99.25","0.003","90","","2615.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N2 O2 -","- C36 H28 N2 O2 -","- C144 H112 N8 O8 -","4","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.1092","0.0981","","","0.2526","0.2588","","","","","","1.152","","","","has coordinates","283161","2023-05-05","01:03:36",""
"1568028","16.7768","0.0015","17.5515","0.0016","17.6585","0.0016","104.872","0.006","90.047","0.005","109.465","0.006","4717","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","- C240 H208 N16 O16 -","4","2","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.2027","0.1799","","","0.4843","0.4979","","","","","","1.059","","","","has coordinates","283161","2023-05-05","01:03:47",""
"1568029","8.202","0.009","14.428","0.005","24.669","0.01","90.012","0.004","85.889","0.011","90.023","0.014","2912","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H65 N3 O4 -","- C79 H65 N3 O4 -","- C158 H130 N6 O8 -","2","1","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","0.61991","synchrotron","","0.2304","0.1799","","","0.5023","0.542","","","","","","1.04","","","","has coordinates,has disorder","283161","2023-05-05","01:03:47",""
"1568030","16.958","0.0011","17.1701","0.0011","17.8837","0.0011","104.311","0.002","109.776","0.002","90.172","0.002","4726.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H53 N3 O4 -","- C61 H53 N3 O4 -","- C244 H212 N12 O16 -","4","2","","Tian, Xiaoqi; Shoyama, Kazutaka; Würthner, Frank","Nitrogen-doped polycyclic aromatic hydrocarbons by a one-pot Suzuki coupling/intramolecular S<sub>N</sub>Ar reaction.","Chemical science","2023","14","2","284","290","10.1039/d2sc05409d","","","1.54178","CuKα","","0.0752","0.0725","","","0.1982","0.1998","","","","","","1.061","","","","has coordinates,has disorder","283161","2023-05-05","01:03:47",""
"1568032","29.0838","0.0011","16.4902","0.0008","38.9836","0.0011","90","","94.942","0.003","90","","18626.9","1.3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H80 F6 N4 O4 P5 Re2 -","- C84 H80 F6 N4 O4 P5 Re2 -","- C672 H640 F48 N32 O32 P40 Re16 -","8","1","","Takahashi, Maria; Asatani, Tsuyoshi; Morimoto, Tatsuki; Kamakura, Yoshinobu; Fujii, Kotaro; Yashima, Masatomo; Hosokawa, Naoki; Tamaki, Yusuke; Ishitani, Osamu","Supramolecular multi-electron redox photosensitisers comprising a ring-shaped Re(i) tetranuclear complex and a polyoxometalate.","Chemical science","2023","14","3","691","704","10.1039/d2sc04252e","","","0.71073","MoKα","","0.141","0.0894","","","0.247","0.2719","","","","","","1.073","","","","has coordinates","281401","2023-03-04","18:06:45",""
"1568033","18.8254","0.0003","23.1045","0.0003","33.0343","0.0004","101.307","0.001","101.064","0.001","112.648","0.001","12422.4","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C168 H160 N8 O48 P8 Re4 Si W12 -","- C168 H160 N8 O48 P8 Re4 Si W12 -","- C336 H320 N16 O96 P16 Re8 Si2 W24 -","2","1","","Takahashi, Maria; Asatani, Tsuyoshi; Morimoto, Tatsuki; Kamakura, Yoshinobu; Fujii, Kotaro; Yashima, Masatomo; Hosokawa, Naoki; Tamaki, Yusuke; Ishitani, Osamu","Supramolecular multi-electron redox photosensitisers comprising a ring-shaped Re(i) tetranuclear complex and a polyoxometalate.","Chemical science","2023","14","3","691","704","10.1039/d2sc04252e","","","0.71073","MoKα","","0.0629","0.0498","","","0.1463","0.1533","","","","","","1.08","","","","has coordinates","281401","2023-03-04","18:06:45",""
"1568034","9.7229","0.0006","11.8712","0.0008","15.4592","0.001","90","","90","","90","","1784.3","0.2","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 B Br F4 N4 O -","- C17 H16 B Br F4 N4 O -","- C68 H64 B4 Br4 F16 N16 O4 -","4","1","","Duan, Zhuan; Young, Claire M.; Zhu, Jiayun; Slawin, Alexandra M. Z.; O'Donoghue, AnnMarie C; Smith, Andrew D.","Rate and equilibrium constants for the addition of triazolium salt derived N-heterocyclic carbenes to heteroaromatic aldehydes.","Chemical science","2022","14","1","162","170","10.1039/d2sc05704b","","","0.71075","MoKα","","0.0482","0.0301","","","0.0587","0.0626","","","","","","0.973","","","","has coordinates","281337","2023-03-04","17:46:09",""
"1568035","10.965","0.0007","11.6978","0.0007","13.6443","0.0009","111.74","0.003","101.903","0.003","90.098","0.003","1584.79","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H68 Br6 Mn5 O22 -","- C44 H68 Br6 Mn5 O22 -","- C44 H68 Br6 Mn5 O22 -","1","0.5","","Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter","Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst.","Chemical science","2022","14","1","54","60","10.1039/d2sc05959b","","","0.71073","MoKα","","0.0647","0.0477","","","0.1272","0.1428","","","","","","1.092","","","","has coordinates","283152","2023-05-05","00:55:06",""
"1568036","8.0671","0.0002","15.0932","0.0004","22.4852","0.0006","90","","90","","90","","2737.76","0.12","233","2","233","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H22 O2 Si -","- C13 H22 O2 Si -","- C104 H176 O16 Si8 -","8","1","","Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter","Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst.","Chemical science","2022","14","1","54","60","10.1039/d2sc05959b","","","0.71073","MoKα","","0.0667","0.0444","","","0.1069","0.1205","","","","","","1.082","","","","has coordinates","283152","2023-05-05","00:55:09",""
"1568037","12.9559","0.0007","10.4977","0.0006","28.982","0.002","90","","95.735","0.002","90","","3922","0.4","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","WLG-EA-494-02","","","- C16 H22 O3 Si2 -","- C16 H22 O3 Si2 -","- C128 H176 O24 Si16 -","8","2","","Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter","Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst.","Chemical science","2022","14","1","54","60","10.1039/d2sc05959b","","","0.71073","MoKα","","0.0634","0.053","","","0.1353","0.1426","","","","","","1.054","","","","has coordinates","283152","2023-05-05","00:55:11",""
"1568038","26.91","0.006","6.4608","0.0015","9.318","0.002","90","","94.442","0.003","90","","1615.2","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(pyren-1-yl)-5-(trifluoromethyl)pyridine","","- C22 H12 F3 N -","- C22 H12 F3 N -","- C88 H48 F12 N4 -","4","1","","Liu, Sen; Li, Jun; Hou, Tianjiao; Shen, Xuan","The study of a novel high selectivity pyrenyl-based fluorescence probe with aggregation-induced emission characteristics for Fe<sup>3+</sup> detection designed by a structure modulation strategy.","Analytical methods : advancing methods and applications","2022","14","48","5081","5090","10.1039/d2ay01780f","","","0.71073","MoKα","","0.0773","0.0566","","","0.1494","0.1598","","","","","","1.088","","","","has coordinates","280153","2023-01-06","09:25:12",""
"1568039","17.626","0.003","7.6841","0.0013","11.574","0.002","90","","100.988","0.002","90","","1538.8","0.5","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(pyren-1-yl)-5-methylpyridine","","- C22 H15 N -","- C22 H15 N -","- C88 H60 N4 -","4","1","","Liu, Sen; Li, Jun; Hou, Tianjiao; Shen, Xuan","The study of a novel high selectivity pyrenyl-based fluorescence probe with aggregation-induced emission characteristics for Fe<sup>3+</sup> detection designed by a structure modulation strategy.","Analytical methods : advancing methods and applications","2022","14","48","5081","5090","10.1039/d2ay01780f","","","0.71073","MoKα","","0.0791","0.0468","","","0.1103","0.1234","","","","","","1.023","","","","has coordinates","280153","2023-01-06","09:25:13",""
"1568040","15.6935","0.0012","17.9065","0.0014","25.3093","0.0016","102.029","0.006","94.298","0.006","105.192","0.007","6649.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H133.5 Cl4.5 F6 N13 O9 -","- C156 H133.5 Cl4.5 F6 N13 O9 -","- C312 H267 Cl9 F12 N26 O18 -","2","1","","Mirabella, Chiara F. M.; Aragay, Gemma; Ballester, Pablo","Influence of the solvent in the self-assembly and binding properties of [1 + 1] tetra-imine bis-calix[4]pyrrole cages.","Chemical science","2022","14","1","186","195","10.1039/d2sc05311j","","","0.71075","MoKα","","0.2282","0.1279","","","0.2844","0.3425","","","","","","1.043","","","","has coordinates,has disorder","281336","2023-03-04","17:46:01",""
"1568041","7.6531","0.0005","10.1518","0.0007","18.1461","0.0013","90","","90","","90","","1409.82","0.17","219","","219","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O3 S -","- C16 H14 O3 S -","- C64 H56 O12 S4 -","4","1","","Kong, Lingheng; Zou, Yun; Li, Xiao-Xi; Zhang, Xue-Peng; Li, Xingwei","Rhodium-catalyzed enantioselective C-H alkynylation of sulfoxides in diverse patterns: desymmetrization, kinetic resolution, and parallel kinetic resolution.","Chemical science","2023","14","2","317","322","10.1039/d2sc05310a","","","1.54178","CuKα","","0.0242","0.0233","","","0.0611","0.0617","","","","","","1.091","","","","has coordinates","281366","2023-03-04","17:55:12",""
"1568042","7.6856","0.0003","10.0965","0.0004","18.0404","0.0008","90","","90","","90","","1399.89","0.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Kong, Lingheng; Zou, Yun; Li, Xiao-Xi; Zhang, Xue-Peng; Li, Xingwei","Rhodium-catalyzed enantioselective C-H alkynylation of sulfoxides in diverse patterns: desymmetrization, kinetic resolution, and parallel kinetic resolution.","Chemical science","2023","14","2","317","322","10.1039/d2sc05310a","","","0.71073","MoKα","","0.0358","0.0342","","","0.0863","0.0877","","","","","","1.076","","","","has coordinates","281366","2023-03-04","17:55:12",""
"1568043","21.6934","0.0003","23.8539","0.0003","34.402","0.0005","96.755","0.001","100.906","0.001","100.248","0.001","16989.5","0.4","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C333 H398 Ag30 B3 Cl33 N4 P8 Pt S14 -","- C324 H380 Ag30 B3 Cl15 N4 P8 Pt S14 -","- C648 H760 Ag60 B6 Cl30 N8 P16 Pt2 S28 -","2","1","","Wang, Silan; Li, Qinzhen; Yang, Sha; Yu, Haizhu; Chai, Jinsong; Zhu, Manzhou","H-bond-induced luminescence enhancement in a Pt<sub>1</sub>Ag<sub>30</sub> nanocluster and its application in methanol detection.","Nanoscale","2022","14","44","16647","16654","10.1039/d2nr03387a","","","1.54186","CuKα","","0.0777","0.0613","","","0.1672","0.1779","","","","","","1.025","","","","has coordinates,has disorder","279720","2022-12-06","05:46:29",""
"1568044","11.4709","0.0016","9.6054","0.0015","10.811","0.002","90","","90","","90","","1191.2","0.3","193","","193","","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C15 H12 B3 N3 O3 -","- C15 H12 B3 N3 O3 -","- C30 H24 B6 N6 O6 -","2","0.25","","Wang, Weize; Wang, Linxia; Du, Fei; Wang, Gang-Ding; Hou, Lei; Zhu, Zhonghua; Liu, Bo; Wang, Yao-Yu","Dative B←N bonds based crystalline organic framework with permanent porosity for acetylene storage and separation.","Chemical science","2023","14","3","533","539","10.1039/d2sc06016g","","","0.71073","MoKα","","0.113","0.0689","","","0.1892","0.2157","","","","","","1.041","","","","has coordinates","281398","2023-03-04","18:05:31",""
"1568045","10.6821","0.0002","12.0842","0.0001","17.057","0.0002","93.142","0.001","105.229","0.001","97.685","0.001","2096.06","0.05","100.2","0.5","100.2","0.5","","","","","","","","3","P 1","P 1","1","","","","- C51 H58 O5 -","- C51 H58 O5 -","- C102 H116 O10 -","2","2","","Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.","Chemical science","2023","14","4","827","832","10.1039/d2sc06234h","","x-ray","1.54184","CuKα","","0.063","0.0541","","","0.1401","0.1667","","","","","","1.085","","","","has coordinates,has disorder","281363","2023-03-04","17:54:07",""
"1568046","9.359","0.0001","12.7052","0.0001","18.7749","0.0001","80.266","0.001","79.829","0.001","76.85","0.001","2120.34","0.03","172.99","0.1","172.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C51 H56 O5 -","- C51 H56 O5 -","- C102 H112 O10 -","2","1","","Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.","Chemical science","2023","14","4","827","832","10.1039/d2sc06234h","","x-ray","1.54184","CuKα","","0.0683","0.062","","","0.1623","0.1663","","","","","","1.078","","","","has coordinates,has disorder","281363","2023-03-04","17:54:07",""
"1568047","17.8746","0.0012","9.0854","0.0005","18.3865","0.0012","90","","90","","90","","2985.9","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","[Hf(Cp'')2Cl2]","","- C22 H42 Cl2 Hf Si4 -","- C22 H42 Cl2 Hf Si4 -","- C88 H168 Cl8 Hf4 Si16 -","4","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.0964","0.0533","","","0.1095","0.1303","","","","","","1.064","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568048","10.7367","0.0003","11.5169","0.0003","13.3589","0.0004","73.257","0.003","83.329","0.002","78.423","0.002","1546.66","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","[{Nd(Cp'')2(uI)}2]","","- C44 H84 I2 Nd2 Si8 -","- C44 H84 I2 Nd2 Si8 -","- C44 H84 I2 Nd2 Si8 -","1","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0391","0.0374","","","0.098","0.0993","","","","","","1.058","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568049","10.2297","0.0002","23.3116","0.0004","18.6778","0.0004","90","","101.213","0.002","90","","4369.08","0.15","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","[Ti(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 Ti -","- C31 H69 Si8 Ti -","- C124 H276 Si32 Ti4 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.031","0.0279","","","0.0696","0.0708","","","","","","1.033","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568050","17.9162","0.001","13.3218","0.0007","20.3331","0.0016","90","","111.465","0.008","90","","4516.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[La(C5H3(1,3-SiMe))2{Si(SiMe3)3}]","","- C31 H69 La Si8 -","- C31 H69 La Si8 -","- C124 H276 La4 Si32 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","0.71073","MoKα","","0.0802","0.0604","","","0.1375","0.1479","","","","","","1.135","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10",""
"1568051","10.6833","0.0004","11.4914","0.0004","13.2297","0.0005","73.117","0.004","83.273","0.003","78.875","0.004","1521.72","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[U(C5H3(1,3-SiMe3))2(I)]2","","- C44 H84 I2 Si8 U2 -","- C44 H84 I2 Si8 U2 -","- C44 H84 I2 Si8 U2 -","1","0.5","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0454","0.0441","","","0.114","0.1151","","","","","","1.035","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568052","17.8079","0.0006","13.2758","0.0003","20.3529","0.0006","90","","111.045","0.003","90","","4490.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Ce(C5H3-1,3-SiMe3)2{Si(SiMe3)3}]","","- C31 H69 Ce Si8 -","- C31 H69 Ce Si8 -","- C124 H276 Ce4 Si32 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0712","0.0679","","","0.1921","0.1936","","","","","","1.103","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10",""
"1568053","37.0378","0.0004","11.7708","0.0001","20.1996","0.0003","90","","90","","90","","8806.31","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","[Zr(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 Zr -","- C31 H69 Si8 Zr -","- C248 H552 Si64 Zr8 -","8","2","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0425","0.0398","","","0.1029","0.1045","","","","","","1.045","","","","has coordinates","283191","2023-05-05","01:14:10",""
"1568054","17.9833","0.0008","13.2292","0.0005","20.4047","0.0013","90","","111.407","0.006","90","","4519.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[U(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Si8 U -","- C31 H69 Si8 U -","- C124 H276 Si32 U4 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0621","0.0503","","","0.1228","0.1288","","","","","","1.041","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10",""
"1568055","17.7679","0.0005","13.2234","0.0003","20.37","0.0006","90","","110.891","0.003","90","","4471.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[Nd(Cp'')2{Si(SiMe3)3}]","","- C31 H69 Nd Si8 -","- C31 H69 Nd Si8 -","- C124 H276 Nd4 Si32 -","4","1","","Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.","Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.","Chemical science","2023","14","3","621","634","10.1039/d2sc04526e","","x-ray","1.54184","CuKα","","0.0704","0.068","","","0.2133","0.2147","","","","","","1.119","","","","has coordinates,has disorder","283191","2023-05-05","01:14:10",""
"1568056","20.1187","0.0009","16.7884","0.0009","8.3834","0.0003","90","","102.468","0.004","90","","2764.8","0.2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N2 O2 -","- C18 H15 N2 O2 -","- C144 H120 N16 O16 -","8","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.0972","0.0541","","","0.1329","0.1605","","","","","","1.052","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568057","8.0994","0.0003","11.7159","0.0008","21.0793","0.0012","102.21","0.005","97.445","0.004","96.128","0.004","1919.86","0.19","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cl2 N4 O4 -","- C50 H34 Cl2 N4 O4 -","- C100 H68 Cl4 N8 O8 -","2","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.1216","0.084","","","0.2193","0.2513","","","","","","1.035","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568058","9.5098","0.0002","20.5556","0.0003","15.4387","0.0002","90","","95.024","0.002","90","","3006.36","0.09","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Co N2 O2 -","- C39 H33 Co N2 O2 -","- C156 H132 Co4 N8 O8 -","4","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.0761","0.0685","","","0.1925","0.2028","","","","","","1.033","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568059","34.9018","0.0013","59.974","0.003","7.6088","0.0003","90","","90","","90","","15926.7","1.2","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C52 H49 N4 O4 -","- C52 H49 N4 O4 -","- C832 H784 N64 O64 -","16","1","","Tajima, Keita; Matsuo, Kyohei; Yamada, Hiroko; Fukui, Norihito; Shinokubo, Hiroshi","Diazazethrene bisimide: a strongly electron-accepting π-system synthesized <i>via</i> the incorporation of both imide substituents and imine-type nitrogen atoms into zethrene.","Chemical science","2023","14","3","635","642","10.1039/d2sc05992d","","","0.71073","MoKα","","0.1163","0.0706","","","0.1505","0.1863","","","","","","1.015","","","","has coordinates,has disorder","281394","2023-03-04","18:03:04",""
"1568061","8.7151","0.0003","9.8582","0.0003","14.979","0.0004","109.017","0.001","94.596","0.001","107.711","0.001","1135.83","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Sorazolon E2","1,1',2,2'-Tetramethyl-9H,9'H-[4,4'-bicarbazole]-3,3'-diol","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim","μ-Oxo-bis[(octacosafluoro-<i>meso</i>-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.","Chemical science","2023","14","2","257","265","10.1039/d2sc06083c","","","0.71073","MoKα","","0.0641","0.0573","","","0.1551","0.1624","","","","","","1.028","","","","has coordinates","283160","2023-05-05","01:02:57",""
"1568062","29.489","0.007","29.489","","20.678","0.005","90","","90","","90","","17982","6","150","2","150","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","μ-Oxo-bis[(octacosafluoro-meso-tetraphenylporphyrinato)iron(III)]","","- C88 H4 F56 Fe2 N8 O3 -","- C88 F56 Fe2 N8 O3 -","- C704 F448 Fe16 N64 O24 -","8","0.5","","Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim","μ-Oxo-bis[(octacosafluoro-<i>meso</i>-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.","Chemical science","2023","14","2","257","265","10.1039/d2sc06083c","","","0.71073","MoKα","","0.0656","0.0461","","","0.1364","0.1568","","","","","","1.076","","","","has coordinates","283160","2023-05-05","01:03:00",""
"1568063","15.496","0.0001","15.496","0.0001","53.7557","0.0007","90","","90","","120","","11178.8","0.18","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C55 H104 O24 Ti6 -","- C54.9999 H104 O24 Ti6 -","- C329.999 H623.999 O144 Ti36 -","6","0.333333","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.1274","0.1217","","0.3993","0.3932","0.394","","","","","","1.9014","","","","has coordinates,has disorder","281395","2023-03-04","18:03:45",""
"1568064","13.2495","0.0003","13.414","0.0004","14.7584","0.0004","63.032","0.003","64.038","0.002","65.591","0.003","2024.99","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30.5 H61 O13 Ti3 -","- C30.5 H61 O13 Ti3 -","- C61 H122 O26 Ti6 -","2","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0776","0.0631","","0.1734","0.1638","0.1734","","","","","","1.007","","","","has coordinates,has disorder","281395","2023-03-04","18:03:55",""
"1568065","21.4239","0.0002","15.2022","0.0002","25.1197","0.0003","90","","90","","90","","8181.25","0.16","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C31 H67.75 O11 Ti2 -","- C31 H67.75 O11 Ti2 -","- C248 H542 O88 Ti16 -","8","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0877","0.0789","","0.2302","0.2212","0.2302","","","","","","0.987","","","","has coordinates,has disorder","281395","2023-03-04","18:04:05",""
"1568066","11.4703","0.0002","12.9048","0.0002","22.7941","0.0004","84.7647","0.0014","87.1313","0.0013","76.867","0.0015","3270.58","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H96 O24 Ti6 -","- C48 H96 O24 Ti6 -","- C96 H192 O48 Ti12 -","2","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.0611","0.0556","","0.1559","0.1518","0.1559","","","","","","0.9973","","","","has coordinates,has disorder","281395","2023-03-04","18:04:15",""
"1568067","14.4104","0.0003","20.6054","0.0007","24.3253","0.0006","90","","97.146","0.002","90","","7166.9","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ti6O6(OiPr)4(pyridine)(O2)(O2CCMe3)6","","- C47.57 H88.14 Cl1.14 N O24 Ti6 -","- C47.568 H88.136 Cl1.136 N O24 Ti6 -","- C190.272 H352.544 Cl4.544 N4 O96 Ti24 -","4","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.5418","CuKα","","0.1337","0.1089","","0.2815","0.26","0.2815","","","","","","1.0047","","","","has coordinates,has disorder","281395","2023-03-04","18:04:15",""
"1568068","14.5668","0.0001","24.3499","0.0001","21.7724","0.0001","90","","106.66","0.0005","90","","7398.48","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H100 N2 O22 Ti6 -","- C59 H100 N2 O22 Ti6 -","- C236 H400 N8 O88 Ti24 -","4","1","","Brown, Stephen E.; Mantaloufa, Ioanna; Andrews, Ryan T.; Barnes, Thomas J.; Lees, Martin R.; De Proft, Frank; Cunha, Ana V.; Pike, Sebastian D.","Photoactivation of titanium-oxo cluster [Ti<sub>6</sub>O<sub>6</sub>(OR)<sub>6</sub>(O<sub>2</sub>C <sup><i>t</i></sup> Bu)<sub>6</sub>]: mechanism, photoactivated structures, and onward reactivity with O<sub>2</sub> to a peroxide complex.","Chemical science","2023","14","3","675","683","10.1039/d2sc05671b","","","1.54184","CuKα","","0.064","0.0627","","0.169","0.1679","0.169","","","","","","1.0227","","","","has coordinates","281395","2023-03-04","18:04:15",""
"1568069","11.7156","0.0001","11.7156","0.0001","76.442","0.0006","90","","90","","120","","9086.4","0.13","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H68 F N4 O13.2 S1.6 -","- C54 H67.9998 F N4 O13.1998 S1.5999 -","- C324 H407.999 F6 N24 O79.1988 S9.5994 -","6","0.333333","","Lin, Yannan; Du, Kang; Gau, Michael R.; Dmochowski, Ivan J.","Turn-on fluorescent capsule for selective fluoride detection and water purification.","Chemical science","2023","14","2","291","297","10.1039/d2sc05352g","","x-ray","1.54184","CuKα","","0.0914","0.0881","","","0.2744","0.2794","","","","","","1.05","","","","has coordinates,has disorder","281369","2023-03-04","17:56:03",""
"1568074","34.3683","0.0007","28.4432","0.0005","5.4447","0.0001","90","","90","","90","","5322.44","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C66 H58 F16 S8 -","- C48 H16 F16 S8 -","- C192 H64 F64 S32 -","4","1","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","synchrotron","","0.0777","0.0612","","","0.1794","0.1926","","","","","","1.03","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568075","13.6071","0.0003","14.6029","0.0003","15.3344","0.0003","97.914","0.002","98.988","0.002","110.147","0.002","2764.52","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H32 F16 O2 S8 -","- C48 H16 F16 S8 -","- C96 H32 F32 S16 -","2","1","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","x-ray","1.54184","CuKα","","0.1338","0.1245","","","0.3507","0.3658","","","","","","1.633","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568076","9.5286","0.0002","10.3554","0.0002","14.25","0.0004","75.54","0.002","89.177","0.002","73.34","0.002","1301.9","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H32 F16 S8 -","- C56 H32 F16 S8 -","- C56 H32 F16 S8 -","1","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","Synchrotron","","0.0801","0.0486","","","0.1263","0.137","","","","","","1.016","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568077","19.8473","0.0002","19.8473","0.0002","13.1934","0.0001","90","","90","","90","","5197.08","0.08","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C54 H30 F16 N2 O2 S8 -","- C48 H16 F16 S8 -","- C192 H64 F64 S32 -","4","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","Synchrotron","","0.0635","0.0529","","","0.1436","0.149","","","","","","1.046","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568078","6.7916","0.0016","13.818","0.004","15.064","0.004","78.57","0.02","81.39","0.02","82.79","0.02","1363.3","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H17 Cl3 F16 S8 -","- C49 H17 Cl3 F16 S8 -","- C49 H17 Cl3 F16 S8 -","1","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","x-ray","1.54184","CuKα","","0.2063","0.1755","","","0.4535","0.4768","","","","","","2.287","","","","has coordinates,has disorder","281335","2023-03-04","17:45:48",""
"1568079","5.89701","0.00012","32.2682","0.0003","16.4767","0.0003","90","","95.0947","0.0016","90","","3122.9","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H36 F16 N4 S8 -","- C68 H36 F16 N4 S8 -","- C136 H72 F32 N8 S16 -","2","0.5","","Turley, Andrew T.; Hanson-Heine, Magnus W D; Argent, Stephen P.; Hu, Yaoyang; Jones, Thomas A.; Fay, Michael; Woodward, Simon","Catalysis enabled synthesis, structures, and reactivities of fluorinated S<sub>8</sub>-corona[<i>n</i>]arenes (<i>n</i> = 8-12).","Chemical science","2022","14","1","70","77","10.1039/d2sc05348a","","","0.6889","Synchrotron","","0.0782","0.0459","","","0.1295","0.139","","","","","","1.076","","","","has coordinates","281335","2023-03-04","17:45:48",""
"1568080","16.249","0.0005","10.644","0.0003","19.0878","0.0005","90","","96.071","0.003","90","","3282.8","0.16","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H108 Mg2 O6 -","- C70 H108 Mg2 O6 -","- C140 H216 Mg4 O12 -","2","0.5","","Zhao, Xue; Ratanasak, Manussada; Kon, Kazumasa; Hasegawa, Jun-Ya; Ishihara, Kazuaki","Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates.","Chemical science","2023","14","3","566","572","10.1039/d2sc05413b","","x-ray","0.71073","MoKα","","0.0904","0.0659","","","0.1699","0.1828","","","","","","1.044","","","","has coordinates,has disorder","281397","2023-03-04","18:05:23",""
"1568081","13.2993","0.0004","14.9598","0.0004","23.1561","0.0007","90","","92.864","0.003","90","","4601.3","0.2","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H78 Na2 O6 -","- C47 H78 Na2 O6 -","- C188 H312 Na8 O24 -","4","0.5","","Zhao, Xue; Ratanasak, Manussada; Kon, Kazumasa; Hasegawa, Jun-Ya; Ishihara, Kazuaki","Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates.","Chemical science","2023","14","3","566","572","10.1039/d2sc05413b","","x-ray","0.71073","MoKα","","0.08","0.0572","","","0.1358","0.1463","","","","","","1.016","","","","has coordinates","281397","2023-03-04","18:05:23",""
"1568084","9.0104","0.0004","13.7067","0.0005","24.3591","0.0009","84.789","0.003","81.573","0.003","89.49","0.003","2963.6","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H62 N4 O7 S2 -","- C68 H62 N4 O7 S2 -","- C136 H124 N8 O14 S4 -","2","1","","Wang, Junjun; Li, Hao; Zhu, Yicai; Yang, Mingdi; Huang, Jing; Zhu, Xiaojiao; Yu, Zhi-Peng; Lu, Zhou; Zhou, Hongping","Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns.","Chemical science","2023","14","2","323","330","10.1039/d2sc06445f","","x-ray","1.54186","CuKα","","0.0751","0.048","","","0.114","0.1246","","","","","","1.033","","","","has coordinates","281367","2023-03-04","17:55:27",""
"1568085","9.561","0.006","10.771","0.01","32.42","0.02","89.714","0.012","83.055","0.008","76.393","0.007","3220","4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34.5 N2 O4.5 S -","- C35 H34.5 N2 O4.5 S -","- C140 H138 N8 O18 S4 -","4","2","","Wang, Junjun; Li, Hao; Zhu, Yicai; Yang, Mingdi; Huang, Jing; Zhu, Xiaojiao; Yu, Zhi-Peng; Lu, Zhou; Zhou, Hongping","Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns.","Chemical science","2023","14","2","323","330","10.1039/d2sc06445f","","","0.71073","MoKα","","0.2812","0.1398","","","0.3571","0.4413","","","","","","1.108","","","","has coordinates","281367","2023-03-04","17:55:27",""
"1568086","8.8587","0.0016","10.6137","0.0019","14.364","0.003","90.75","0.003","90.402","0.003","96.359","0.003","1342.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 Au Cl N O2 P -","- C32 H26 Au Cl N O2 P -","- C64 H52 Au2 Cl2 N2 O4 P2 -","2","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0535","0.0427","","","0.0802","0.0827","","","","","","0.945","","","","has coordinates","281399","2023-03-04","18:05:55",""
"1568087","8.686","0.0018","10.558","0.002","15.503","0.003","80.834","0.003","74.403","0.004","89.873","0.004","1350.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Au N O2 P -","- C33 H29 Au N O2 P -","- C66 H58 Au2 N2 O4 P2 -","2","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0459","0.0385","","","0.077","0.079","","","","","","0.967","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568088","13.325","0.005","12.768","0.005","16.802","0.007","90","","102.997","0.007","90","","2785.4","1.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H32 Au O2 P -","- C31 H32 Au O2 P -","- C124 H128 Au4 O8 P4 -","4","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0896","0.074","","","0.1663","0.1743","","","","","","1.011","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568089","11.632","0.003","11.016","0.003","20.856","0.005","90","","100.801","0.005","90","","2625.1","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Au F2 O3 P -","- C31 H22 Au F2 O3 P -","- C124 H88 Au4 F8 O12 P4 -","4","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0811","0.052","","","0.0944","0.1035","","","","","","0.923","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568090","16.005","0.006","12.135","0.004","16.626","0.006","90","","99.248","0.006","90","","3187","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Au Cl N O4 P -","- C37 H30 Au Cl N O4 P -","- C148 H120 Au4 Cl4 N4 O16 P4 -","4","1","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.0578","0.0426","","","0.091","0.0952","","","","","","0.987","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568091","13.2107","0.0004","12.0368","0.0004","17.3384","0.0006","90","","96.519","0.002","90","","2739.23","0.16","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H28 Au O3 P -","- C32 H28 Au O3 P -","- C128 H112 Au4 O12 P4 -","4","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","1.54178","CuKα","","0.0526","0.0486","","","0.1243","0.1273","","","","","","1.055","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568092","11.146","0.002","24.058","0.005","42.262","0.008","90","","90","","90","","11333","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H25 Au Cl2 N O2 P -","- C32 H25 Au Cl2 N O2 P -","- C512 H400 Au16 Cl32 N16 O32 P16 -","16","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.1027","0.0619","","","0.0949","0.1032","","","","","","1.072","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568093","13.545","0.003","11.373","0.003","27.757","0.006","90","","100.052","0.004","90","","4210.3","1.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Au O3 P -","- C25 H20 Au O3 P -","- C200 H160 Au8 O24 P8 -","8","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.058","0.0395","","","0.0737","0.0773","","","","","","0.964","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568094","7.1094","0.0002","8.1861","0.0003","9.3662","0.0003","92.147","0.003","94.856","0.002","90.442","0.003","542.73","0.03","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 F N O6 Re -","- C9 H5 F N O6 Re -","- C18 H10 F2 N2 O12 Re2 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0145","0.0145","","","0.0358","0.0358","","","","","","1.201","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568095","11.9487","0.0003","6.8332","0.0002","16.0682","0.0004","90","","108.801","0.003","90","","1241.93","0.06","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N O7 Re -","- C10 H8 N O7 Re -","- C40 H32 N4 O28 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0337","0.0309","","","0.0896","0.0939","","","","","","1.124","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568096","24.2151","0.0002","10.2839","0.0001","11.5557","0.0001","90","","90.506","0.001","90","","2877.55","0.04","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 F3 N O7.5 Re -","- C10 H8 F3 N O7.5 Re -","- C80 H64 F24 N8 O60 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.025","0.0249","","","0.0651","0.0652","","","","","","1.164","","","","has coordinates","301209","2025-07-10","11:18:50",""
"1568097","9.3367","0.0001","11.1259","0.0001","22.22","0.0002","90","","99.672","0.001","90","","2275.39","0.04","160","1","160","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C72 H40 Cl8 N8 O48 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0136","0.0134","","","0.033","0.0336","","","","","","1.289","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568098","10.0882","0.0002","19.6105","0.0003","12.6146","0.0003","90","","112.846","0.003","90","","2299.83","0.09","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F N O6 Re -","- C9 H5 F N O6 Re -","- C72 H40 F8 N8 O48 Re8 -","8","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0264","0.0264","","","0.0628","0.0629","","","","","","1.276","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568099","8.2553","0.0001","7.1514","0.0001","19.0448","0.0002","90","","92.838","0.001","90","","1122.97","0.02","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C36 H20 Cl4 N4 O24 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0194","0.0193","","","0.0519","0.0519","","","","","","1.227","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568100","25.3206","0.0006","11.8306","0.0002","9.3609","0.0002","90","","121.786","0.003","90","","2383.57","0.12","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N O7 Re -","- C10 H8 N O7 Re -","- C80 H64 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0241","0.0237","","","0.0661","0.0668","","","","","","1.102","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568101","9.2924","0.0002","11.1464","0.0003","22.2675","0.0006","90","","100.09","0.002","90","","2270.73","0.1","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H8 N O6 Re -","- C10 H8 N O6 Re -","- C80 H64 N8 O48 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0257","0.0246","","","0.0638","0.0645","","","","","","1.089","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568102","22.7527","0.0002","10.614","0.0001","21.7337","0.0002","90","","109.916","0.001","90","","4934.72","0.08","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H9 N O6.5 Re -","- C10 H9 N O6.5 Re -","- C160 H144 N16 O104 Re16 -","16","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0183","0.0179","","","0.0429","0.0431","","","","","","1.141","","","","has coordinates","299663","2025-05-14","10:17:59",""
"1568103","24.6859","0.0003","11.4192","0.0001","9.1451","0.0002","90","","97.31","0.001","90","","2556.99","0.07","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N O7 Re -","- C10 H10 N O7 Re -","- C80 H80 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0205","0.0204","","","0.0519","0.0519","","","","","","1.216","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568104","6.7986","0.0001","18.177","0.0003","9.6514","0.0001","90","","94.971","0.001","90","","1188.22","0.03","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 N2 O8 Re -","- C9 H5 N2 O8 Re -","- C36 H20 N8 O32 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0214","0.0212","","","0.0554","0.0556","","","","","","1.225","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568105","6.3055","0.0002","9.8069","0.0002","10.5545","0.0002","102.051","0.002","100.494","0.002","105.893","0.002","593.68","0.03","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C18 H10 Cl2 N2 O12 Re2 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0187","0.0185","","","0.048","0.0482","","","","","","1.109","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568106","6.4225","0.0001","10.7862","0.0003","18.6703","0.0005","83.339","0.002","85.503","0.002","79.429","0.002","1260.68","0.05","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H5 F3 N O6 Re -","- C10 H5 F3 N O6 Re -","- C40 H20 F12 N4 O24 Re4 -","4","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0162","0.0146","","","0.0331","0.0336","","","","","","1.023","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568107","24.23071","0.00018","11.28656","0.00008","8.98742","0.00007","90","","98.0757","0.0008","90","","2433.52","0.03","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 N2 O7 Re -","- C9 H9 N2 O7 Re -","- C72 H72 N16 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0273","0.0272","","","0.0705","0.0706","","","","","","1.252","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568108","9.8967","0.0003","10.5952","0.0003","12.8653","0.0002","106.448","0.002","105.596","0.003","103.191","0.003","1176.62","0.07","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 N O7.5 Re -","- C9 H7 N O7.5 Re -","- C36 H28 N4 O30 Re4 -","4","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0234","0.0221","","","0.0562","0.0565","","","","","","1.182","","","","has coordinates","299663","2025-05-14","10:17:59",""
"1568109","6.4668","0.0001","24.4678","0.0003","8.2183","0.0001","90","","102.605","0.001","90","","1269.03","0.03","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N2 O9 Re -","- C9 H7 N2 O9 Re -","- C36 H28 N8 O36 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0297","0.029","","","0.0774","0.0777","","","","","","1.257","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568110","10.5868","0.0002","13.477","0.0003","18.0923","0.0003","82.284","0.002","87.527","0.001","68.815","0.002","2385.09","0.09","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N4 O13 Re2 -","- C18 H16 N4 O13 Re2 -","- C72 H64 N16 O52 Re8 -","4","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0157","0.015","","","0.0353","0.0355","","","","","","1.142","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568111","8.8821","0.0001","11.136","0.0002","26.399","0.0004","90","","93.457","0.001","90","","2606.4","0.07","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N O8 Re -","- C10 H10 N O8 Re -","- C80 H80 N8 O64 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0165","0.0164","","","0.0419","0.042","","","","","","1.156","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568112","12.926","0.0001","6.8177","0.0001","15.2153","0.0002","90","","112.206","0.001","90","","1241.41","0.03","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 F3 N O6 Re -","- C10 H5 F3 N O6 Re -","- C40 H20 F12 N4 O24 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0173","0.0167","","","0.0436","0.044","","","","","","1.117","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568113","10.5413","0.0001","6.8478","0.0001","17.1068","0.0002","90","","103.515","0.001","90","","1200.65","0.03","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N O8 Re -","- C10 H6 N O8 Re -","- C40 H24 N4 O32 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0232","0.0232","","","0.0595","0.0595","","","","","","1.274","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568114","24.6135","0.0001","11.2159","0.0001","9.5651","0.0001","90","","94.071","0.001","90","","2633.9","0.04","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N O8 Re -","- C10 H10 N O8 Re -","- C80 H80 N8 O64 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0123","0.0123","","","0.0309","0.0309","","","","","","1.216","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568115","9.7973","0.0002","10.6398","0.0003","12.744","0.0003","78.502","0.002","68.184","0.002","73.235","0.002","1174.53","0.05","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C9.5 H7 F N O6.5 Re -","- C9.5 H7 F N O6.5 Re -","- C38 H28 F4 N4 O26 Re4 -","4","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0221","0.0191","","","0.0483","0.0495","","","","","","1.068","","","","has coordinates","299663","2025-05-14","10:17:59",""
"1568116","9.1881","0.0001","11.0679","0.0001","25.0097","0.0003","90","","97.989","0.001","90","","2518.63","0.05","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N O7 Re -","- C10 H10 N O7 Re -","- C80 H80 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0228","0.0222","","","0.0574","0.0575","","","","","","1.203","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568117","12.1358","0.0001","18.6012","0.0001","16.1266","0.0001","90","","90.297","0.001","90","","3640.38","0.04","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 N6 O25 Re3 -","- C27 H17 N6 O25 Re3 -","- C108 H68 N24 O100 Re12 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0181","0.018","","","0.0445","0.0446","","","","","","1.263","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568118","10.938","0.0003","11.4782","0.0003","12.8234","0.0003","101.726","0.002","111.1","0.003","109.637","0.003","1314.84","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O7.5 Re -","- C10 H8 N2 O7.5 Re -","- C40 H32 N8 O30 Re4 -","4","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0201","0.0198","","","0.0563","0.0566","","","","","","1.135","","","","has coordinates","299663","2025-05-14","10:17:59",""
"1568119","9.0438","0.0001","11.1598","0.0002","23.9385","0.0004","90","","96.213","0.001","90","","2401.85","0.06","160","1","160","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H7 F N O7 Re -","- C9 H7 F N O7 Re -","- C72 H56 F8 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.018","0.0174","","","0.0463","0.0467","","","","","","1.154","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568120","7.2397","0.0003","8.0044","0.0004","9.5362","0.0002","88.048","0.003","76.353","0.003","84.465","0.004","534.48","0.04","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 N O7 Re -","- C9 H6 N O7 Re -","- C18 H12 N2 O14 Re2 -","2","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0226","0.0218","","","0.0584","0.0589","","","","","","1.126","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568121","10.3332","0.0003","6.6448","0.0002","17.7601","0.0004","90","","102.862","0.002","90","","1188.85","0.06","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N2 O6 Re -","- C10 H5 N2 O6 Re -","- C40 H20 N8 O24 Re4 -","4","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0197","0.0197","","","0.0512","0.0512","","","","","","1.15","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568122","22.88","0.0002","9.9814","0.0001","20.3649","0.0002","90","","91.591","0.001","90","","4649.03","0.08","160","1","160","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C144 H80 Cl16 N16 O96 Re16 -","16","2","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0156","0.0152","","","0.0355","0.0356","","","","","","1.238","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568129","7.4324","0.0005","14.6018","0.0014","16.6369","0.0014","109.684","0.008","98.078","0.007","93.683","0.007","1671.1","0.3","113.15","","113.15","","","","","","","","","3","P -1","-P 1","2","","","","- C44 H44 N2 -","- C44 H44 N2 -","- C88 H88 N4 -","2","1","","Kou, Yan; Li, Guangwu; Han, Yi; Li, Mengwei; Wang, Tingting; Qu, Zhiyu; Chen, Yulan","Angularly fused diaza-dinaphthopyrenes: regio-selective synthesis, crystal structures and isomer-dependent mechanochromic fluorescent properties.","Chemical science","2023","14","3","668","674","10.1039/d2sc05608a","","x-ray","0.71073","MoKα","","0.1649","0.0887","","","0.2223","0.2772","","","","","","1.027","","","","has coordinates","281400","2023-03-04","18:06:06",""
"1568130","5.438","0.0001","17.7484","0.0005","19.3921","0.0006","90","","91.455","0.002","90","","1871.04","0.09","159.99","0.1","159.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N -","- C22 H22 N -","- C88 H88 N4 -","4","1","","Kou, Yan; Li, Guangwu; Han, Yi; Li, Mengwei; Wang, Tingting; Qu, Zhiyu; Chen, Yulan","Angularly fused diaza-dinaphthopyrenes: regio-selective synthesis, crystal structures and isomer-dependent mechanochromic fluorescent properties.","Chemical science","2023","14","3","668","674","10.1039/d2sc05608a","","x-ray","1.54184","CuKα","","0.0936","0.0814","","","0.2371","0.2466","","","","","","1.062","","","","has coordinates","281400","2023-03-04","18:06:06",""
"1568131","8.2861","0.0015","5.4731","0.001","20.821","0.004","90","","93.606","0.005","90","","942.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-cyanophenyl)-N-hydroxymethanesulfonamide","","- C8 H8 N2 O3 S -","- C8 H8 N2 O3 S -","- C32 H32 N8 O12 S4 -","4","1","","Lasso, Juan D.; Castillo-Pazos, Durbis J; Sim, Malcolm; Barroso-Flores, Joaquín; Li, Chao-Jun","EDA mediated S-N bond coupling of nitroarenes and sodium sulfinate salts.","Chemical science","2023","14","3","525","532","10.1039/d2sc06087f","","","1.54178","CuKα","","0.0342","0.0338","","","0.092","0.0925","","","","","","1.088","","","","has coordinates","283192","2023-05-05","01:14:18",""
"1568133","14.8239","0.0006","21.1789","0.0006","17.2427","0.0008","90","","107.318","0.005","90","","5168","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","U{(μ-H)3IrCp*}4","","- C46 H74 Ir4 U -","- C46 H74 Ir4 U -","- C184 H296 Ir16 U4 -","4","0.5","","Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément","A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.","Chemical science","2023","14","4","861","868","10.1039/d2sc04903a","","x-ray","0.71073","MoKα","","0.04","0.0376","","","0.0949","0.0956","","","","","","1.389","","","","has coordinates,has disorder","283156","2023-05-05","00:59:58",""
"1568134","13.6424","0.0017","19.07","0.002","17.52","0.002","90","","102.339","0.006","90","","4452.7","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Th{[(μ-H2)(H)IrCp*]2[(μ-H)3IrCp*]2}","","- C40 H60 Ir4 Th -","- C40 H60 Ir4 Th -","- C160 H240 Ir16 Th4 -","4","1","","Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément","A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.","Chemical science","2023","14","4","861","868","10.1039/d2sc04903a","","","0.7288","synchrotron","","0.1052","0.0625","","","0.143","0.175","","","","","","1.037","","","","has coordinates","283156","2023-05-05","00:59:58",""
"1568135","12.0833","0.0002","15.2848","0.0002","18.5723","0.0003","93.815","0.001","98.607","0.001","93.365","0.001","3375.78","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","{U[(μ2-H3)IrCp*]2[(μ3-H2)IrCp*]}2","","- C60 H90 Ir6 U2 -","- C60 H90 Ir6 U2 -","- C120 H180 Ir12 U4 -","2","1","","Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément","A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.","Chemical science","2023","14","4","861","868","10.1039/d2sc04903a","","x-ray","0.71073","MoKα","","0.0297","0.0243","","","0.0579","0.0596","","","","","","1.015","","","","has coordinates","283156","2023-05-05","00:59:58",""
"1568164","9.1046","0.0007","7.8073","0.0006","15.404","0.0011","90","","101.618","0.007","90","","1072.52","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 S Si -","- C24 H24 S Si -","- C48 H48 S2 Si2 -","2","1","","Ling, Fang-Ying; Ye, Fei; Fang, Xiao-Jun; Zhou, Xiao-Hua; Huang, Wei-Sheng; Xu, Zheng; Xu, Li-Wen","An unusual autocatalysis with an air-stable Pd complex to promote enantioselective synthesis of Si-stereogenic enynes.","Chemical science","2023","14","5","1123","1131","10.1039/d2sc06181c","","","1.54184","CuKα","","0.0483","0.0412","","","0.1002","0.1058","","","","","","0.995","","","","has coordinates","301209","2025-07-10","11:18:51",""
"1568165","22.1273","0.0009","22.1273","0.0009","62.674","0.004","90","","90","","120","","26575","2","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C256 H432 Fe4 N28 O186 S12 -","- C192 H174 Fe4 N24 O90 S12 -","- C576 H522 Fe12 N72 O270 S36 -","3","0.333333","","Schwab, Jake H.; Bailey, Jake B.; Gembicky, Milan; Stauber, Julia M.","Programmable synthesis of well-defined, glycosylated iron(ii) supramolecular assemblies with multivalent protein-binding capabilities.","Chemical science","2023","14","4","1018","1026","10.1039/d2sc05689e","","x-ray","0.71073","MoKα","K-L~3~","0.1235","0.0858","","","0.2421","0.2881","","","","","","1.036","","","","has coordinates,has disorder","281360","2023-03-04","17:52:56",""
"1568166","17.659","0.0002","8.3859","0.0001","17.8047","0.0002","90","","92.68","0.001","90","","2633.75","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H28 O6 -","- C33.5 H28 O6 -","- C134 H112 O24 -","4","1","","Vieira de Castro, Tomás; Huang, David M.; Sumby, Christopher J.; Lawrence, Andrew L.; George, Jonathan H.","A bioinspired, one-step total synthesis of peshawaraquinone.","Chemical science","2023","14","4","950","954","10.1039/d2sc05377b","","x-ray","1.54184","CuKα","","0.0626","0.0572","","","0.149","0.1535","","","","","","1.008","","","","has coordinates,has disorder","283157","2023-05-05","01:00:18",""
"1568175","8.1805","0.0003","16.2254","0.0005","25.9415","0.001","90","","90.036","0.002","90","","3443.3","0.2","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 F N O2 S -","- C46 H34 F N O2 S -","- C184 H136 F4 N4 O8 S4 -","4","1","","Zhao, Chenyue; Ding, Zhipeng; Zhang, Yibin; Ni, Zhigang; Li, Shijun; Gong, Shaolong; Zou, Bo; Wang, Kai; Yu, Ling","Thermally activated delayed fluorescence with dual-emission and pressure-induced bidirectional shifting: cooperative effects of intramolecular and intermolecular energy transfer.","Chemical science","2023","14","5","1089","1096","10.1039/d2sc05792a","","","0.71073","MoKα","","0.0483","0.0388","","","0.0968","0.1033","","","","","","1.026","","","","has coordinates","281354","2023-03-04","17:51:26",""
"1568176","11.6223","0.0004","22.3952","0.0008","13.154","0.0004","90","","101.844","0.001","90","","3350.9","0.2","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 F N O3 S -","- C43 H28 F N O3 S -","- C172 H112 F4 N4 O12 S4 -","4","1","","Zhao, Chenyue; Ding, Zhipeng; Zhang, Yibin; Ni, Zhigang; Li, Shijun; Gong, Shaolong; Zou, Bo; Wang, Kai; Yu, Ling","Thermally activated delayed fluorescence with dual-emission and pressure-induced bidirectional shifting: cooperative effects of intramolecular and intermolecular energy transfer.","Chemical science","2023","14","5","1089","1096","10.1039/d2sc05792a","","","0.71073","MoKα","","0.0646","0.0464","","","0.1226","0.1356","","","","","","1.017","","","","has coordinates","281354","2023-03-04","17:51:26",""
"1568177","5.3077","0.0002","10.641","0.0003","14.3047","0.0004","90","","97.421","0.003","90","","801.15","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-diethyl-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione","","- C18 H16 N2 O2 S2 -","- C18 H16 N2 O2 S2 -","- C36 H32 N4 O4 S4 -","2","0.5","","Samanta, Ranita; Das, Susobhan; Mondal, Saikat; Alkhidir, Tamador; Mohamed, Sharmarke; Senanayak, Satyaprasad P.; Reddy, C. Malla","Elastic organic semiconducting single crystals for durable all-flexible field-effect transistors: insights into the bending mechanism.","Chemical science","2023","14","6","1363","1371","10.1039/d2sc05217b","","x-ray","1.54184","CuKα","","0.0532","0.051","","","0.1471","0.1487","","","","","","1.081","","","","has coordinates","281374","2023-03-04","17:56:59",""
"1568181","9.5043","0.0006","10.1028","0.0007","11.4194","0.0008","84.951","0.005","81.475","0.005","62.613","0.005","962.59","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H54 B4 Na2 O8 -","- C32 H54 B4 Na2 O8 -","- C32 H54 B4 Na2 O8 -","1","0.5","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.0667","0.0595","","","0.1464","0.153","","","","","","1.05","","","","has coordinates","281359","2023-03-04","17:52:44",""
"1568182","9.6203","0.0008","16.4732","0.001","18.2301","0.0013","90","","90.025","0.006","90","","2889.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B3 Na O4 -","- C28 H42 B3 Na O4 -","- C112 H168 B12 Na4 O16 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1373","0.0994","","","0.2288","0.2655","","","","","","1.129","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568183","13.1281","0.0009","16.9849","0.0016","18.645","0.001","90","","90","","90","","4157.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H68 B2 Li2 O6 -","- C40 H68 B2 Li2 O6 -","- C160 H272 B8 Li8 O24 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1151","0.0711","","","0.1496","0.1694","","","","","","1.053","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568184","18.6111","0.0006","16.4244","0.0004","30.4468","0.0009","90","","101.989","0.002","90","","9103.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Li2 N2 O2 -","- C30 H48 Li2 N2 O2 -","- C360 H576 Li24 N24 O24 -","12","3","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1004","0.0742","","","0.1949","0.2124","","","","","","1.055","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568185","10.2466","0.0004","14.7968","0.0006","15.6728","0.0006","108.371","0.003","95.677","0.003","90.32","0.003","2242.4","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H136 B4 N4 Na4 O16 -","- C82 H136 B4 N4 Na4 O16 -","- C82 H136 B4 N4 Na4 O16 -","1","0.5","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.0647","0.0571","","","0.1515","0.157","","","","","","1.071","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568186","12.6287","0.0012","21.7373","0.0013","17.0233","0.0015","90","","110.611","0.007","90","","4374","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H69 B2 Li N2 O9 -","- C41 H69 B2 Li N2 O9 -","- C164 H276 B8 Li4 N8 O36 -","4","0.5","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1104","0.0639","","","0.1386","0.1657","","","","","","1.05","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568187","29.1123","0.0006","15.8326","0.0003","43.5324","0.001","90","","102.002","0.002","90","","19626.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 B3 Li O4 -","- C28 H42 B3 Li O4 -","- C784 H1176 B84 Li28 O112 -","28","7","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1499","0.0801","","","0.2172","0.2751","","","","","","1.032","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568188","8.5527","0.0005","12.4941","0.0007","16.5866","0.0011","75.533","0.005","75.852","0.005","84.925","0.005","1663.45","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H50 B2 Li O8 -","- C33 H50 B2 Li O8 -","- C66 H100 B4 Li2 O16 -","2","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.103","0.0642","","","0.1187","0.1379","","","","","","1.197","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568189","10.9511","0.001","24.516","0.003","15.2282","0.0015","90","","95.506","0.008","90","","4069.6","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 B2 Li N O8 -","- C43 H58 B2 Li N O8 -","- C172 H232 B8 Li4 N4 O32 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1892","0.1106","","","0.2115","0.2467","","","","","","1.117","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568191","6.24","0.0003","7.3164","0.0004","17.7083","0.0008","90","","90","","90","","808.46","0.07","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C28 H32 O8 S8 -","4","1","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","0.71073","MoKα","","0.0382","0.0328","","","0.0673","0.0692","","","","","","1.094","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568192","6.33251","0.00011","7.69444","0.00017","8.95591","0.00016","90","","96.8866","0.0017","90","","433.229","0.015","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 O2 S2 -","- C7 H10 O2 S2 -","- C14 H20 O4 S4 -","2","1","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","1.54184","CuKα","","0.0281","0.0281","","","0.0738","0.0738","","","","","","1.065","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568193","6.0382","0.0002","6.9857","0.0002","18.8158","0.0006","90","","90","","90","","793.67","0.04","150","2","149.9","0.6","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O3 S -","- C7 H10 O3 S -","- C28 H40 O12 S4 -","4","1","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","0.71073","MoKα","","0.0248","0.0242","","","0.0643","0.0648","","","","","","1.087","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568194","12.599","0.0003","6.90114","0.00015","18.8705","0.0005","90","","102.949","0.003","90","","1599.02","0.07","150","2","149.9","0.6","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C7 H10 O3 S -","- C7 H10 O3 S -","- C56 H80 O24 S8 -","8","2","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","0.71073","MoKα","","0.0264","0.0255","","","0.0603","0.0608","","","","","","1.06","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568195","8.79278","0.00012","6.11294","0.00009","13.39685","0.00018","90","","90.4175","0.0012","90","","720.058","0.017","150","2","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","2","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","1.54184","CuKα","","0.0261","0.0258","","","0.0668","0.0671","","","","","","1.075","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568196","26.4405","0.0004","30.63","0.0006","31.6049","0.0006","62.291","0.002","74.7925","0.0016","70.3241","0.0017","21165.1","0.8","100","0.11","100","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C336 H270 Ag46 Cl6 Cr2 N6 O32 S36 -","- C336 H270 Ag45.9999 Cl6 Cr2 N6 O32 S36 -","- C672 H540 Ag91.9998 Cl12 Cr4 N12 O64 S72 -","2","1","","Gupta, Rakesh Kumar; Li, Li; Wang, Zhi; Han, Bao-Liang; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Regulating the assembly and expansion of the silver cluster from the Ag<sub>37</sub> to Ag<sub>46</sub> nanowheel driven by heteroanions.","Chemical science","2023","14","5","1138","1144","10.1039/d2sc06436g","","x-ray","1.54184","CuKα","","0.134","0.0846","","","0.2504","0.2966","","","","","","1.067","","","","has coordinates,has disorder","281349","2023-03-04","17:50:09",""
"1568197","17.8704","0.0004","38.6083","0.0006","47.7137","0.0005","90","","94.915","0.001","90","","32798.8","1","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C288 H248 Ag37 Cl11 N6 Na O24 S30 -","- C288 H248 Ag37 Cl11 N6 Na O24 S30 -","- C1152 H992 Ag148 Cl44 N24 Na4 O96 S120 -","4","1","","Gupta, Rakesh Kumar; Li, Li; Wang, Zhi; Han, Bao-Liang; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Regulating the assembly and expansion of the silver cluster from the Ag<sub>37</sub> to Ag<sub>46</sub> nanowheel driven by heteroanions.","Chemical science","2023","14","5","1138","1144","10.1039/d2sc06436g","","x-ray","1.54184","CuKα","","0.1717","0.1265","","","0.3384","0.3781","","","","","","1.271","","","","has coordinates,has disorder","281349","2023-03-04","17:50:09",""
"1568198","10.8295","0.0004","14.3466","0.0005","16.2889","0.0007","98.991","0.003","110.11","0.004","97.83","0.004","2297.5","0.17","195","","195","","","","","","","","","7","P -1","-P 1","2","{[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)4CO2","","","- C92 H42 Co F32 N4 O24 Ru4 -","- C92 H42 Co F32 N4 O24 Ru4 -","- C92 H42 Co F32 N4 O24 Ru4 -","1","0.5","","Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.","Chemical science","2023","14","4","791","800","10.1039/d2sc06337a","powder diffraction","","0.79969","synchrotron","","0.00994","","","","","","0.00995","0.04107","4.8033","","","","","","","has coordinates","281358","2023-03-04","17:52:16",""
"1568199","10.3561","0.0006","14.2275","0.0007","16.1588","0.001","96.889","0.004","109.083","0.006","99.555","0.005","2179.7","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","{[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)2O2","","","- C88 H42 Co F32 N4 O20 Ru4 -","- C88 H42 Co F32 N4 O20 Ru4 -","- C88 H42 Co F32 N4 O20 Ru4 -","1","0.5","","Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.","Chemical science","2023","14","4","791","800","10.1039/d2sc06337a","powder diffraction","","0.79969","synchrotron","","0.00317","","","","","","0.00316","0.01916","3.6133","","","","","","","has coordinates","281358","2023-03-04","17:52:16",""
"1568200","10.3569","0.0005","14.221","0.0003","16.1573","0.0009","96.891","0.003","109.135","0.005","99.504","0.005","2178.34","0.19","120","","120","","","","","","","","","7","P -1","-P 1","2","{[Ru2(2356F4PhCO2)4]2[TCNQ]}(CoCp2)N2","","","- C88 H42 Co F32 N6 O16 Ru4 -","- C88 H42 Co F32 N6 O16 Ru4 -","- C88 H42 Co F32 N6 O16 Ru4 -","1","0.5","","Kosaka, Wataru; Nemoto, Honoka; Nagano, Kohei; Kawaguchi, Shogo; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets.","Chemical science","2023","14","4","791","800","10.1039/d2sc06337a","powder diffraction","","0.79969","synchrotron","","0.00428","","","","","","0.00429","0.02258","3.4332","","","","","","","has coordinates","281358","2023-03-04","17:52:16",""
"1568201","12.4765","0.0003","13.7256","0.0003","15.0782","0.0003","71.979","0.002","88.7149","0.0018","78.9608","0.0019","2408.12","0.1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H108 Br2 Cl18 N8 Na2 O12 -","- C60 H108 Br2 Cl18 N8 Na2 O12 -","- C60 H108 Br2 Cl18 N8 Na2 O12 -","1","0.5","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.5418","CuKα","","0.0529","0.0474","","0.1363","0.1308","0.1363","","","","","","0.9928","","","","has coordinates,has disorder","283154","2023-05-05","00:57:48",""
"1568202","25.8831","0.001","5.6524","0.0004","43.78","0.002","90","","94.085","0.004","90","","6388.8","0.6","150","","150","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29 H52 N4 O6 -","- C29 H52 N4 O6 -","- C232 H416 N32 O48 -","8","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0867","0.0553","","0.1556","0.1266","0.1556","","","","","","0.9888","","","","has coordinates,has disorder","283154","2023-05-05","00:57:59",""
"1568203","12.6782","0.0002","13.2543","0.0002","17.7146","0.0003","94.8655","0.0015","102.8","0.0015","108.058","0.0016","2721.73","0.08","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H58 F2 K N8 O16 Yb2 -","- C31 H58 F2 K N8 O16 Yb2 -","- C62 H116 F4 K2 N16 O32 Yb4 -","2","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0565","0.0548","","0.1598","0.1571","0.1598","","","","","","1.0117","","","","has coordinates","283154","2023-05-05","00:58:08",""
"1568204","28.4973","0.0007","15.9022","0.0003","39.7702","0.0008","90","","103.219","0.002","90","","17545.1","0.7","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C186 H316 N48 O84 Yb12 -","- C186 H316 N48 O84 Yb12 -","- C372 H632 N96 O168 Yb24 -","2","0.5","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.5418","CuKα","","0.0851","0.0701","","0.2144","0.1987","0.2144","","","","","","1.0303","","","","has coordinates,has disorder","283154","2023-05-05","00:58:12",""
"1568205","10.8216","0.0002","18.3994","0.0003","11.1809","0.0002","90","","106.757","0.002","90","","2131.7","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 N4 O9 Yb -","- C17 H31 N4 O9 Yb -","- C68 H124 N16 O36 Yb4 -","4","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0258","0.0251","","0.0653","0.0648","0.0653","","","","","","1.0237","","","","has coordinates,has disorder","283154","2023-05-05","00:58:23",""
"1568206","28.5577","0.0005","15.9841","0.0002","39.9615","0.0006","90","","103.346","0.0016","90","","17748.6","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C186 H324 Eu12 N48 O84 -","- C186 H324 Eu12 N48 O84 -","- C372 H648 Eu24 N96 O168 -","2","0.5","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.5418","CuKα","","0.1305","0.1126","","0.3036","0.2713","0.3036","","","","","","1.0191","","","","has coordinates","283154","2023-05-05","00:58:32",""
"1568207","10.7991","0.0001","18.3916","0.0002","11.2076","0.0001","90","","106.553","0.0013","90","","2133.72","0.04","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Eu N4 O9 -","- C17 H31 Eu N4 O9 -","- C68 H124 Eu4 N16 O36 -","4","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0738","0.0734","","0.2017","0.1999","0.2017","","","","","","1.035","","","","has coordinates,has disorder","283154","2023-05-05","00:58:35",""
"1568208","18.67067","0.00017","18.94109","0.00018","18.90816","0.00017","90","","94.3084","0.0008","90","","6667.84","0.11","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H53 Fe N3 Si4 -","- C24 H53 Fe N3 Si4 -","- C192 H424 Fe8 N24 Si32 -","8","2","","Stroek, Wowa; Albrecht, Martin","Discovery of a simple iron catalyst reveals the intimate steps of C-H amination to form C-N bonds.","Chemical science","2023","14","11","2849","2859","10.1039/d2sc04170g","","x-ray","1.54184","CuKα","","0.0572","0.0509","","","0.1462","0.1523","","","","","","1.076","","","","has coordinates,has disorder","282297","2023-04-04","10:02:00",""
"1568209","11.5091","0.0007","16.0047","0.0012","16.969","0.0011","78.893","0.003","83.202","0.002","80.19","0.003","3010.4","0.4","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10 -","- C30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10 -","- C30 H30 F76 Fe Hg10 Mo N10 O4 S2 Sb10 -","1","0.5","","Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz","A decacationic ferrocene-based metallostar.","Chemical science","2023","14","5","1132","1137","10.1039/d2sc06151a","","","0.71073","MoKα","","0.0336","0.03","","","0.068","0.0697","","","","","","0.949","","","","has coordinates,has disorder","281353","2023-03-04","17:51:14",""
"1568210","18.7149","0.0008","36.9102","0.0016","32.7166","0.0014","90","","94.377","0.002","90","","22533.8","1.7","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C98 H150 F60 Fe Hg10 N24 S10 Sb10 -","- C90 H138 F48 Fe Hg10 N20 S10 Sb8 -","- C360 H552 F192 Fe4 Hg40 N80 S40 Sb32 -","4","0.5","","Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz","A decacationic ferrocene-based metallostar.","Chemical science","2023","14","5","1132","1137","10.1039/d2sc06151a","","","0.71073","MoKα","","0.0426","0.0384","","","0.1055","0.1095","","","","","","1.04","","","","has coordinates,has disorder","281353","2023-03-04","17:51:14",""
"1568211","16.8907","0.0004","40.5278","0.001","23.013","0.0005","90","","109.001","0.001","90","","14895","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H100 F30 Fe Hg10 N20 O20 -","- C98 H100 F27 Fe Hg10 N20 O18 -","- C392 H400 F108 Fe4 Hg40 N80 O72 -","4","1","","Rupf, Susanne Margot; Moshtaha, Amina Leoni; Malischewski, Moritz","A decacationic ferrocene-based metallostar.","Chemical science","2023","14","5","1132","1137","10.1039/d2sc06151a","","","1.54178","CuKα","","0.0569","0.0519","","","0.1388","0.1439","","","","","","1.052","","","","has coordinates,has disorder","281353","2023-03-04","17:51:14",""
"1568212","13.8929","0.0003","15.2075","0.0003","18.0219","0.0004","93.513","0.002","96.836","0.002","101.444","0.002","3691.25","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H69 Br Cl3 Os P3 -","- C86 H69 Br2 Cl2 Os P3 -","- C172 H138 Br4 Cl4 Os2 P6 -","2","1","","Lin, Zuzhang; Cai, Yapeng; Zhang, Yaowei; Zhang, Hong; Xia, Haiping","Heterocyclic Suzuki-Miyaura coupling reaction of metalla-aromatics and mechanistic analysis of site selectivity.","Chemical science","2023","14","5","1227","1233","10.1039/d2sc05455h","","","1.54184","CuKα","","0.0654","0.0547","","","0.154","0.1629","","","","","","1.064","","","","has coordinates","281357","2023-03-04","17:52:06",""
"1568213","37.0917","0.0004","10.9818","0.0001","43.2112","0.0005","90","","106.08","0.001","90","","16912.7","0.3","99.99","0.1","99.99","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H77 Br2 Cl2 N Os P3 -","- C98 H77 Br2 Cl2 N Os P3 -","- C784 H616 Br16 Cl16 N8 Os8 P24 -","8","1","","Lin, Zuzhang; Cai, Yapeng; Zhang, Yaowei; Zhang, Hong; Xia, Haiping","Heterocyclic Suzuki-Miyaura coupling reaction of metalla-aromatics and mechanistic analysis of site selectivity.","Chemical science","2023","14","5","1227","1233","10.1039/d2sc05455h","","x-ray","1.54184","CuKα","","0.052","0.0495","","","0.1288","0.1305","","","","","","1.063","","","","has coordinates,has disorder","281357","2023-03-04","17:52:06",""
"1568214","13.9414","0.0011","20.932","0.0017","28.7875","0.0018","90","","95.848","0.003","90","","8357.1","1.1","180","2","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H106 B2 N0 O10 -","- C96.996 H107.988 B2 O10 -","- C387.984 H431.952 B8 O40 -","4","1","","Chen, Jin-Fa; Gao, Qing-Xiu; Liu, Lijie; Chen, Pangkuan; Wei, Tai-Bao","A pillar[5]arene-based planar chiral charge-transfer dye with enhanced circularly polarized luminescence and multiple responsive chiroptical changes.","Chemical science","2023","14","4","987","993","10.1039/d2sc06000k","","","0.71073","MoKα","","0.1392","0.0657","","","0.1698","0.1958","","","","","","0.99","","","","has coordinates,has disorder","281361","2023-03-04","17:53:36",""
"1568215","13.3693","0.0008","16.483","0.001","16.996","0.0011","98.522","0.004","110.283","0.004","111.654","0.004","3097.1","0.4","130","0.5","130","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C78 H80 Cl2 N2 O -","- C78 H80 Cl2 N2 O -","- C156 H160 Cl4 N4 O2 -","2","1","","Krzeszewski, Maciej; Dobrzycki, Łukasz; Sobolewski, Andrzej L.; Cyrański, Michał K.; Gryko, Daniel T.","Saddle-shaped aza-nanographene with multiple odd-membered rings","Chemical Science","2023","14","9","2353","2360","10.1039/D2SC05858H","","","1.54178","CuKα","","0.0846","0.0706","","","0.1769","0.1859","","","","","","1.082","","","","has coordinates,has disorder","281390","2023-03-04","18:02:15",""
"1568216","11.1707","0.0015","3.8686","0.0005","30.877","0.004","90","","91.966","0.005","90","","1333.6","0.3","130","","130","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","","Ruiz Martínez, Cristina; Pérez, Juana M.; Arrabal-Campos, Francisco M.; Rodríguez-Diéguez, Antonio; Choquesillo-Lazarte, Duane; Martínez-Lao, Juan A.; Ortuño, Manuel A.; Fernández, Ignacio","Lithium anthraquinoids as catalysts in the ROP of lactide and caprolactone into cyclic polymers","Polymer Chemistry","2023","14","4","452","461","10.1039/D2PY01076C","","","0.71073","MoKα","","0.0966","0.0771","","","0.1618","0.1699","","","","","","1.163","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1568217","15.3458","0.0008","15.7608","0.0007","9.4437","0.0004","90","","93.062","0.004","90","","2280.81","0.18","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Cl3 N3 O2 -","- C25 H16 Cl3 N3 O2 -","- C100 H64 Cl12 N12 O8 -","4","1","","Ruiz Martínez, Cristina; Pérez, Juana M.; Arrabal-Campos, Francisco M.; Rodríguez-Diéguez, Antonio; Choquesillo-Lazarte, Duane; Martínez-Lao, Juan A.; Ortuño, Manuel A.; Fernández, Ignacio","Lithium anthraquinoids as catalysts in the ROP of lactide and caprolactone into cyclic polymers","Polymer Chemistry","2023","14","4","452","461","10.1039/D2PY01076C","","","1.54178","CuKα","","0.0994","0.0635","","","0.1785","0.1973","","","","","","1.083","","","","has coordinates,has disorder","281608","2023-03-04","18:47:25",""
"1568218","7.975","0.0006","16.4265","0.001","13.4165","0.0007","90","","103.052","0.006","90","","1712.17","0.19","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O2 Pd -","- C19 H19 N3 O2 Pd -","- C76 H76 N12 O8 Pd4 -","4","1","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp<sup>3</sup>)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","1.54184","CuKα","","0.1102","0.0787","","","0.1951","0.2328","","","","","","1.083","","","","has coordinates","281362","2023-03-04","17:53:46",""
"1568219","17.933","0.004","5.7655","0.0013","20.387","0.004","90","","93.694","0.019","90","","2103.5","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C108 H88 N8 O4 -","4","1","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp<sup>3</sup>)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","0.71073","MoKα","","0.2383","0.1125","","","0.2548","0.3469","","","","","","1.016","","","","has coordinates","281362","2023-03-04","17:53:46",""
"1568220","18.5183","0.0003","9.4082","0.0001","20.3888","0.0002","90","","102.717","0.002","90","","3465.08","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C H N O Pd -","- C3.26531 H3.10204 N0.489796 O0.163265 Pd0.163265 -","- C160 H152 N24 O8 Pd8 -","49","12.25","","Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.","Pd(ii)-catalyzed β- and γ-C-(sp<sup>3</sup>)-H dienylation with allenyl acetates.","Chemical science","2023","14","4","955","962","10.1039/d2sc05188e","","x-ray","1.54184","CuKα","","0.0868","0.0843","","","0.2167","0.2221","","","","","","1.043","","","","has coordinates","281362","2023-03-04","17:53:46",""
"1568221","5.189","0.005","7.915","0.004","10.643","0.003","80.745","0.013","82.34","0.04","88.94","0.05","427.6","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","1","1","","De, Soumi; Asthana, Deepak; Thirmal, Chinthakuntla; Keshri, Sudhir K.; Ghosh, Ram Krishna; Hundal, Geeta; Kumar, Raju; Singh, Satyendra; Chatterjee, Ratnamala; Mukhopadhyay, Pritam","A folded π-system with supramolecularly oriented dipoles: single-component piezoelectric relaxor with NLO activity.","Chemical science","2023","14","10","2547","2552","10.1039/d2sc06141d","","","0.71073","MoKα","","0.1421","0.0815","","","0.2062","0.2349","","","","","","1.017","","","","has coordinates","282281","2023-04-04","09:54:10",""
"1568224","15.5542","0.0007","5.6674","0.0002","18.576","0.0008","90","","106.95","0.001","90","","1566.38","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F4 S2 -","- C18 H10 F4 S2 -","- C72 H40 F16 S8 -","4","1","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","0.71073","GaKα","","0.036","0.0325","","","0.1226","0.132","","","","","","1.124","","","","has coordinates","283158","2023-05-05","01:00:53",""
"1568225","4.812","0.0002","20.6876","0.001","11.0963","0.0006","90","","96.357","0.002","90","","1097.83","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 O4 S2 -","- C24 H18 F4 O4 S2 -","- C48 H36 F8 O8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0376","0.0331","","","0.0826","0.0861","","","","","","1.06","","","","has coordinates","283158","2023-05-05","01:01:03",""
"1568226","4.8071","0.0003","20.699","0.0014","11.0964","0.0007","90","","96.329","0.002","90","","1097.39","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 O4 S2 -","- C24 H18 F4 O4 S2 -","- C48 H36 F8 O8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0389","0.0367","","","0.1053","0.1076","","","","","","1.064","","","","has coordinates","283158","2023-05-05","01:01:13",""
"1568227","9.6077","0.0002","10.2863","0.0002","10.6653","0.0002","68.438","0.001","76.888","0.001","65.477","0.001","888.39","0.03","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H30 S6 -","- C42 H30 S6 -","- C42 H30 S6 -","1","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0333","0.0313","","","0.0826","0.0845","","","","","","1.037","","","","has coordinates","283158","2023-05-05","01:01:17",""
"1568228","9.6203","0.0003","14.1325","0.0005","14.9666","0.0005","76.293","0.001","88.135","0.002","88.84","0.002","1975.68","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 F2 S4 -","- C30 H20 F2 S4 -","- C90 H60 F6 S12 -","3","1.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0356","0.0316","","","0.0857","0.0889","","","","","","1.044","","","","has coordinates","283158","2023-05-05","01:01:30",""
"1568229","15.1661","0.0008","4.8806","0.0003","11.4983","0.0006","90","","93.913","0.002","90","","849.12","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F4 S2 -","- C20 H14 F4 S2 -","- C40 H28 F8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0317","0.0294","","","0.0766","0.0784","","","","","","1.044","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568230","15.5305","0.0008","5.6743","0.0003","18.5471","0.0009","90","","106.918","0.002","90","","1563.72","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F4 S2 -","- C18 H10 F4 S2 -","- C72 H40 F16 S8 -","4","1","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.044","0.0396","","","0.1161","0.1262","","","","","","0.89","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568231","4.8077","0.0002","20.6905","0.0009","11.0959","0.0005","90","","96.412","0.002","90","","1096.85","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 O4 S2 -","- C24 H18 F4 O4 S2 -","- C48 H36 F8 O8 S4 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0401","0.0349","","","0.0863","0.0903","","","","","","1.055","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568232","21.0773","0.0006","21.0773","0.0006","7.9829","0.0003","90","","90","","120","","3071.29","0.17","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C48 H42 S6 -","- C48 H42 S6 -","- C144 H126 S18 -","3","0.166667","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0378","0.0316","","","0.0867","0.0896","","","","","","1.1","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568233","20.7715","0.0012","6.2243","0.0003","22.3727","0.0012","90","","94.032","0.003","90","","2885.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 O12 S6 -","- C60 H54 O12 S6 -","- C120 H108 O24 S12 -","2","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0703","0.0571","","","0.1562","0.1655","","","","","","1.066","","","","has coordinates,has disorder","283158","2023-05-05","01:01:34",""
"1568234","5.6192","0.0005","8.2941","0.0008","21.138","0.002","79.178","0.004","84.757","0.004","89.326","0.004","963.58","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 F2 O8 S4 -","- C42 H36 F2 O8 S4 -","- C42 H36 F2 O8 S4 -","1","0.5","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.0608","0.0479","","","0.1099","0.1183","","","","","","1.055","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568235","12.4505","0.0005","14.978","0.0006","21.6769","0.0008","92.868","0.002","98.081","0.001","91.753","0.001","3994.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 S6 -","- C48 H42 S6 -","- C192 H168 S24 -","4","2","","Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang","Making multi-twisted luminophores produce persistent room-temperature phosphorescence.","Chemical science","2023","14","4","970","978","10.1039/d2sc05741g","","","1.34138","GaKα","","0.051","0.0423","","","0.1052","0.1118","","","","","","1.028","","","","has coordinates","283158","2023-05-05","01:01:34",""
"1568238","25.255","0.002","9.038","0.0006","16.9105","0.0017","90","","120.591","0.005","90","","3322.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H34 Cl3 N2 Si2 -","- C35 H34 Cl3 N2 Si2 -","- C140 H136 Cl12 N8 Si8 -","4","0.5","","Zhang, Sutao; Han, Yuxi; He, Jianghua; Zhang, Yuetao","Synthesis of fluorescent poly(silyl indole)s via borane-catalyzed C–H silylation of indoles","Polymer Chemistry","2023","14","4","492","499","10.1039/D2PY01470J","","","0.71073","MoKα","","0.0369","0.0318","","","0.0811","0.0858","","","","","","1.046","","","","has coordinates","281607","2023-03-04","18:47:11",""
"1568239","8.4884","0.0006","11.5493","0.0009","15.4564","0.0012","89.802","0.002","82.731","0.002","77.808","0.002","1468.77","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H36 N2 Si2 -","- C34 H36 N2 Si2 -","- C68 H72 N4 Si4 -","2","1","","Zhang, Sutao; Han, Yuxi; He, Jianghua; Zhang, Yuetao","Synthesis of fluorescent poly(silyl indole)s via borane-catalyzed C–H silylation of indoles","Polymer Chemistry","2023","14","4","492","499","10.1039/D2PY01470J","","","0.71073","MoKα","","0.0834","0.0484","","","0.1039","0.1178","","","","","","1.01","","","","has coordinates","281607","2023-03-04","18:47:11",""
"1568250","39.4123","0.0018","31.761","0.0017","41.134","0.002","90","","116.515","0.002","90","","46075","4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132.65 H133.3 Ag2 B2 Cl1.3 N12 O6 -","- C132.65 H133.3 Ag2 B2 Cl1.3 N12 O6 -","- C2122.4 H2132.8 Ag32 B32 Cl20.8 N192 O96 -","16","2","","Ayme, Jean-François; Bruchmann, Bernd; Karmazin, Lydia; Kyritsakas, Nathalie","Transient self-assembly of metal-organic complexes.","Chemical science","2023","14","5","1244","1251","10.1039/d2sc06374c","","","0.71073","MoKα","","0.0741","0.05","","","0.1206","0.1375","","","","","","1.033","","","","has coordinates,has disorder","283155","2023-05-05","00:59:34",""
"1568251","17.5943","0.0009","21.9079","0.0009","21.0813","0.001","90","","104.382","0.003","90","","7871.2","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H88 Ag2 B2 N8 O4 -","- C96 H88 Ag2 B2 N8 O4 -","- C384 H352 Ag8 B8 N32 O16 -","4","0.5","","Ayme, Jean-François; Bruchmann, Bernd; Karmazin, Lydia; Kyritsakas, Nathalie","Transient self-assembly of metal-organic complexes.","Chemical science","2023","14","5","1244","1251","10.1039/d2sc06374c","","","0.71073","MoKα","","0.0668","0.0361","","","0.0827","0.0982","","","","","","1.017","","","","has coordinates","283155","2023-05-05","00:59:37",""
"1568252","13.8231","0.0004","20.1276","0.0006","16.7673","0.0004","90","","90","","90","","4665.1","0.2","100","0.2","100","0.2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C25 H18 Cl2 N3 Zn -","- C25 H18 Cl2 N3 Zn -","- C200 H144 Cl16 N24 Zn8 -","8","0.5","","Ngue, Chin May; Ho, Kuan Fu; Sainbileg, Batjargal; Batsaikhan, Erdembayalag; Hayashi, Michitoshi; Lee, Kuei Yi; Chen, Ruei San; Leung, Man Kit","Conductivity and photoconductivity in a two-dimensional zinc bis(triarylamine) coordination polymer.","Chemical science","2023","14","5","1320","1328","10.1039/d2sc06085j","","","0.71073","MoKα","","0.0703","0.0556","","","0.1762","0.1913","","","","","","1.106","","","","has coordinates","281355","2023-03-04","17:51:35",""
"1568253","15.0449","0.0002","16.2449","0.0002","26.5593","0.0003","90","","90","","90","","6491.17","0.14","173","0.14","173","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H50 N2 Zn -","- C34 H50 N2 Zn -","- C272 H400 N16 Zn8 -","8","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0414","0.0352","","","0.0941","0.1009","","","","","","1.039","","","","has coordinates","281370","2023-03-04","17:56:17",""
"1568254","10.7471","0.0007","21.2654","0.0008","13.8275","0.0007","90","","93.143","0.004","90","","3155.4","0.3","173.05","0.1","173.05","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 N2 Zn -","- C33 H48 N2 Zn -","- C132 H192 N8 Zn4 -","4","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","0.71073","MoKα","","0.072","0.0457","","","0.1169","0.1399","","","","","","1.091","","","","has coordinates,has disorder","281370","2023-03-04","17:56:17",""
"1568255","12.4022","0.0004","15.979","0.0004","31.6956","0.0007","83.997","0.002","83.924","0.002","68.783","0.002","5807.7","0.3","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H90 N4 Zn2 -","- C62 H90 N4 Zn2 -","- C248 H360 N16 Zn8 -","4","2","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0567","0.0426","","","0.1101","0.1232","","","","","","1.028","","","","has coordinates,has disorder","281370","2023-03-04","17:56:17",""
"1568256","11.2164","0.0003","20.8079","0.0005","14.1171","0.0004","90","","96.264","0.002","90","","3275.12","0.15","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 N2 Zn -","- C35 H52 N2 Zn -","- C140 H208 N8 Zn4 -","4","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0964","0.0791","","","0.2064","0.2418","","","","","","1.047","","","","has coordinates,has disorder","281370","2023-03-04","17:56:17",""
"1568257","7.7662","0.0011","20.908","0.003","7.2899","0.0011","90","","90.463","0.003","90","","1183.7","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 B F2 N2 O -","- C14 H9 B F2 N2 O -","- C56 H36 B4 F8 N8 O4 -","4","1","","Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian","BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.","Chemical science","2023","14","6","1434","1442","10.1039/d2sc06435a","","","0.71073","MoKα","","0.118","0.0733","","","0.1974","0.2239","","","","","","1.023","","","","has coordinates","281372","2023-03-04","17:56:37",""
"1568258","7.763","0.003","24.877","0.01","7.273","0.003","90","","90.525","0.012","90","","1404.5","1","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 B F2 N2 O S -","- C16 H9 B F2 N2 O S -","- C64 H36 B4 F8 N8 O4 S4 -","4","1","","Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian","BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.","Chemical science","2023","14","6","1434","1442","10.1039/d2sc06435a","","","0.71073","MoKα","","0.0977","0.0807","","","0.214","0.2198","","","","","","1.125","","","","has coordinates","281372","2023-03-04","17:56:37",""
"1568259","17.675","0.003","17.675","0.003","29.023","0.005","90","","90","","90","","9067","3","302.45","","302.45","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C30 H21 B N2 O -","- C30 H21 B N2 O -","- C480 H336 B16 N32 O16 -","16","1","","Gai, Lizhi; Zhang, Ruijing; Shi, Xiuguang; Ni, Zhigang; Wang, Sisi; Zhang, Jun-Long; Lu, Hua; Guo, Zijian","BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay.","Chemical science","2023","14","6","1434","1442","10.1039/d2sc06435a","","","0.71073","MoKα","","0.1405","0.0643","","","0.1667","0.2155","","","","","","1.018","","","","has coordinates","281372","2023-03-04","17:56:37",""
"1568263","10.6143","0.0003","31.7341","0.0006","5.4746","0.0001","90","","96.25","0.002","90","","1833.08","0.07","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Zhao, Hongping; Yuan, Weiming","Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.","Chemical science","2023","14","6","1485","1490","10.1039/d2sc06303d","","x-ray","1.54184","CuKα","","0.0687","0.0614","","","0.1567","0.1623","","","","","","1.061","","","","has coordinates","281376","2023-03-04","17:57:18",""
"1568264","9.5665","0.0003","10.3386","0.0002","12.4055","0.0003","93.312","0.002","101.472","0.002","98.72","0.002","1183.64","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Zhao, Hongping; Yuan, Weiming","Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.","Chemical science","2023","14","6","1485","1490","10.1039/d2sc06303d","","x-ray","1.54184","CuKα","","0.0375","0.0367","","","0.0938","0.0944","","","","","","1.048","","","","has coordinates","281376","2023-03-04","17:57:18",""
"1568265","8.0904","0.0003","12.0393","0.0003","12.8065","0.0003","79.36","0.002","75.595","0.002","79.481","0.002","1175.11","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Zhao, Hongping; Yuan, Weiming","Three-component reductive conjugate addition/aldol tandem reaction enabled by nickel/photoredox dual catalysis.","Chemical science","2023","14","6","1485","1490","10.1039/d2sc06303d","","x-ray","1.54184","CuKα","","0.0352","0.0345","","","0.0893","0.0897","","","","","","1.04","","","","has coordinates","281376","2023-03-04","17:57:18",""
"1568266","9.7199","0.0003","17.3733","0.0006","8.5275","0.0003","90","","106.832","0.001","90","","1378.32","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","0.71073","MoKα","","0.0564","0.0402","","","0.0881","0.1102","","","","","","1.087","","","","has coordinates","281379","2023-03-04","17:59:37",""
"1568267","8.7024","0.0003","13.0704","0.0005","18.7294","0.0007","90","","90","","90","","2130.35","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 F O3 -","- C26 H23 F O3 -","- C104 H92 F4 O12 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","1.54178","CuKα","","0.0281","0.0273","","","0.0668","0.0674","","","","","","1.074","","","","has coordinates","281379","2023-03-04","17:59:37",""
"1568268","9.9702","0.0001","9.9702","0.0001","48.7176","0.0012","90","","90","","90","","4842.77","0.14","173","2","173","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C29 H30 O5 -","- C29 H30 O5 -","- C232 H240 O40 -","8","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","1.54178","CuKα","","0.0279","0.0274","","","0.07","0.0704","","","","","","1.064","","","","has coordinates,has disorder","281379","2023-03-04","17:59:37",""
"1568269","11.4334","0.0007","13.0191","0.0008","41.707","0.003","90","","90","","90","","6208.2","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H92 Cl2 Co N4 O15 -","- C57 H92 Cl2 Co N4 O15 -","- C228 H368 Cl8 Co4 N16 O60 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","0.71073","MoKα","","0.0463","0.04","","","0.1012","0.1059","","","","","","1.05","","","","has coordinates,has disorder","281379","2023-03-04","17:59:37",""
"1568270","15.9159","0.0003","21.273","0.0004","18.676","0.0003","90","","107.116","0.001","90","","6043.25","0.19","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 N4 O8 -","- C60 H68 N4 O8 -","- C240 H272 N16 O32 -","4","1","","Lee, Areum; Yang, Ju Ho; Oh, Ju Hyun; Hay, Benjamin P.; Lee, Kyounghoon; Lynch, Vincent M.; Sessler, Jonathan L.; Kim, Sung Kuk","Cyclo[2]carbazole[2]pyrrole: a preorganized calix[4]pyrrole analogue.","Chemical science","2023","14","5","1218","1226","10.1039/d2sc06376j","","","0.71073","MoKα","","0.0894","0.0631","","","0.1663","0.1846","","","","","","1.042","","","","has coordinates,has disorder","281356","2023-03-04","17:51:48",""
"1568271","17.4296","0.0003","29.0372","0.0005","18.0368","0.0002","90","","91.2569","0.0012","90","","9126.4","0.2","100","0.6","100","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H148 N6 O9 -","- C96 H148 N6 O9 -","- C384 H592 N24 O36 -","4","1","","Lee, Areum; Yang, Ju Ho; Oh, Ju Hyun; Hay, Benjamin P.; Lee, Kyounghoon; Lynch, Vincent M.; Sessler, Jonathan L.; Kim, Sung Kuk","Cyclo[2]carbazole[2]pyrrole: a preorganized calix[4]pyrrole analogue.","Chemical science","2023","14","5","1218","1226","10.1039/d2sc06376j","","x-ray","1.54184","CuKα","","0.0496","0.0422","","","0.1081","0.1121","","","","","","1.035","","","","has coordinates,has disorder","281356","2023-03-04","17:51:48",""
"1568272","8.6562","0.0007","23.5435","0.0018","11.2698","0.0009","90","","97.609","0.004","90","","2276.5","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,2S,3R)-2-methyl-3-(1-methyl-1H-indol-5-yl)-2-phenylcyclopropyl 3,5-dibromobenzoate","","- C26 H21 Br2 N O2 -","- C26 H21 Br2 N O2 -","- C104 H84 Br8 N4 O8 -","4","2","","Teresa, Javier; Velado, Marina; Fernández de la Pradilla, Roberto; Viso, Alma; Lozano, Blanca; Tortosa, Mariola","Enantioselective Suzuki cross-coupling of 1,2-diboryl cyclopropanes.","Chemical science","2023","14","6","1575","1581","10.1039/d2sc05789a","","","0.71073","MoKα","","0.0497","0.0319","","","0.0627","0.0698","","","","","","1.006","","","","has coordinates","283162","2023-05-05","01:04:03",""
"1568273","9.0911","0.0008","15.1646","0.001","10.8715","0.0008","90","","90.782","0.006","90","","1498.6","0.2","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","SQ1a","","- C32 H42 O4 -","- C32 H42 O4 -","- C64 H84 O8 -","2","0.5","","Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji","Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption.","Chemical science","2023","14","8","1978","1985","10.1039/d2sc06612b","","","0.71075","MoKα","","","0.0466","","","","0.0548","","","","","","1.13","","","","has coordinates","281343","2023-03-04","17:47:32",""
"1568274","10.8829","0.001","11.8981","0.0011","14.5843","0.0012","100.894","0.007","93.914","0.007","104.037","0.007","1786.1","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","CR1b","","- C34 H43 Cl3 O3 S2 -","- C34 H43 Cl3 O3 S2 -","- C68 H86 Cl6 O6 S4 -","2","1","","Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji","Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption.","Chemical science","2023","14","8","1978","1985","10.1039/d2sc06612b","","","0.71075","MoKα","","","0.0897","","","","0.0926","","","","","","1.151","","","","has coordinates","281343","2023-03-04","17:47:32",""
"1568275","13.5881","0.0012","14.1008","0.001","14.4563","0.0012","89.576","0.006","67.544","0.005","67.336","0.005","2330.2","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","SQ1b","","- C48 H63 O3 S3 -","- C48 H63 O3 S3 -","- C96 H126 O6 S6 -","2","1","","Maeda, Takeshi; Oka, Taishi; Sakamaki, Daisuke; Fujiwara, Hideki; Suzuki, Naoya; Yagi, Shigeyuki; Konishi, Tatsuki; Kamada, Kenji","Unveiling a new aspect of oxocarbons: open-shell character of 4- and 5-membered oxocarbon derivatives showing near-infrared absorption.","Chemical science","2023","14","8","1978","1985","10.1039/d2sc06612b","","","0.71075","MoKα","","","0.0746","","","","0.0893","","","","","","1.113","","","","has coordinates","281343","2023-03-04","17:47:32",""
"1568276","10.29","0.0006","26.6421","0.0015","20.4572","0.0012","90","","101.477","0.003","90","","5496.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H89 Cu N5 O4 -","- C56 H89 Cu N5 O4 -","- C224 H356 Cu4 N20 O16 -","4","1","","Bower, Jamey K.; Reese, Maxwell S.; Mazin, Ilia M.; Zarnitsa, Lina M.; Cypcar, Andrew D.; Moore, Curtis E.; Sokolov, Alexander Yu; Zhang, Shiyu","C(sp<sup>3</sup>)-H cyanation by a formal copper(iii) cyanide complex.","Chemical science","2023","14","5","1301","1307","10.1039/d2sc06573h","","x-ray","0.71073","MoKα","K-L~3~","0.0568","0.0379","","","0.0906","0.0987","","","","","","1.035","","","","has coordinates,has disorder","281350","2023-03-04","17:50:28",""
"1568277","13.0154","0.0003","15.4677","0.0003","22.5915","0.0005","90","","97.887","0.001","90","","4505.06","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.35 H66.39 Cu N4 O5.15 -","- C46.343 H66.38 Cu N4 O5.152 -","- C185.372 H265.52 Cu4 N16 O20.608 -","4","1","","Bower, Jamey K.; Reese, Maxwell S.; Mazin, Ilia M.; Zarnitsa, Lina M.; Cypcar, Andrew D.; Moore, Curtis E.; Sokolov, Alexander Yu; Zhang, Shiyu","C(sp<sup>3</sup>)-H cyanation by a formal copper(iii) cyanide complex.","Chemical science","2023","14","5","1301","1307","10.1039/d2sc06573h","","x-ray","1.54178","CuKα","K-L~3~","0.0587","0.0525","","","0.1399","0.1487","","","","","","1.061","","","","has coordinates,has disorder","281350","2023-03-04","17:50:28",""
"1568278","11.115","0.0006","7.4032","0.0005","41.998","0.003","90","","93.75","0.005","90","","3448.5","0.4","150","","150","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C32 H17 N5 -","- C32 H17 N5 -","- C192 H102 N30 -","6","3","","Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing","Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion.","Chemical science","2023","14","8","2091","2096","10.1039/d2sc05942h","","","1.54178","CuKα","","0.098","0.0684","","","0.1663","0.1892","","","","","","1.028","","","","has coordinates","281346","2023-03-04","17:49:01",""
"1568279","7.023","0.01","9.909","0.014","11.109","0.014","65.89","0.06","74.66","0.05","73.28","0.04","666.2","1.6","296.83","","296.83","","","","","","","","","4","P 1","P 1","1","","","","- C36 H16 N6 O -","- C36 H16 N6 O -","- C36 H16 N6 O -","1","1","","Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing","Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion.","Chemical science","2023","14","8","2091","2096","10.1039/d2sc05942h","","","0.71076","MoKα","","0.1123","0.0842","","","0.1921","0.2096","","","","","","1.09","","","","has coordinates","281346","2023-03-04","17:49:01",""
"1568280","13.2549","0.0003","11.5853","0.0004","17.1735","0.0004","90","","97.293","0.002","90","","2615.86","0.12","294.93","0.1","294.93","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","x-ray","1.54184","CuKα","","0.0687","0.0607","","","0.1639","0.1763","","","","","","1.033","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568281","8.7448","0.0003","12.1996","0.0005","23.9382","0.001","90","","90","","90","","2553.8","0.17","301","2","301","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0727","0.0389","","","0.0801","0.0915","","","","","","1.008","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568282","7.9263","0.0006","10.6732","0.0011","31.221","0.003","90","","90","","90","","2641.3","0.4","300","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.1072","0.0493","","","0.0937","0.1168","","","","","","1.023","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568283","11.0546","0.0003","11.54205","0.00018","18.2492","0.0004","90","","90","","90","","2328.47","0.09","292.9","0.1","292.9","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C112 H100 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","x-ray","1.54184","CuKα","","0.0596","0.0564","","","0.1522","0.159","","","","","","1.049","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568284","9.7335","0.001","12.7669","0.0013","10.7629","0.0011","90","","90.849","0.004","90","","1337.3","0.2","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H27 N O3 S -","- C33 H27 N O3 S -","- C66 H54 N2 O6 S2 -","2","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0738","0.054","","","0.1333","0.145","","","","","","1.027","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568285","10.7659","0.0011","13.158","0.0015","27.887","0.003","90","","100.454","0.004","90","","3884.8","0.7","149","2","149","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","2","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.1112","0.0681","","","0.1649","0.1963","","","","","","1.021","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568286","11.084","0.0012","11.2741","0.001","27.234","0.003","90","","90","","90","","3403.2","0.6","161","2","161","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 I N O4 S -","- C33 H28 I N O4 S -","- C132 H112 I4 N4 O16 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0555","0.0401","","","0.099","0.1024","","","","","","1.653","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568287","11.6139","0.0007","13.4764","0.001","14.9925","0.001","92.051","0.003","93.362","0.003","94.406","0.003","2333.7","0.3","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C112 H100 N4 O12 S4 -","4","2","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.139","0.0603","","","0.1328","0.1605","","","","","","1.038","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568288","17.6502","0.0016","17.6502","0.0016","20.387","0.003","90","","90","","90","","6351.2","1.2","173","","173","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C30 H45 N2 Sc Si2 -","- C30 H45 N2 Sc Si2 -","- C240 H360 N16 Sc8 Si16 -","8","1","","Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang","Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand","Polymer Chemistry","2023","14","7","828","838","10.1039/D2PY01526A","","","0.71073","MoKα","","0.0697","0.0609","","","0.1183","0.1212","","","","","","1.267","","","","has coordinates","281611","2023-03-04","18:48:16",""
"1568289","10.3315","0.0008","17.5787","0.0012","18.0108","0.0013","90","","99.52","0.002","90","","3226","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 N2 Sc Si2 -","- C31 H47 N2 Sc Si2 -","- C124 H188 N8 Sc4 Si8 -","4","1","","Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang","Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand","Polymer Chemistry","2023","14","7","828","838","10.1039/D2PY01526A","","","0.71073","MoKα","","0.0802","0.0486","","","0.1016","0.1137","","","","","","1.037","","","","has coordinates,has disorder","281611","2023-03-04","18:48:16",""
"1568290","11.6387","0.0008","17.0971","0.0012","19.0816","0.0012","90","","93.598","0.002","90","","3789.5","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H55 N2 Sc Si3 -","- C33 H55 N2 Sc Si3 -","- C132 H220 N8 Sc4 Si12 -","4","1","","Wang, Yinran; Huang, Lin; Hou, Zhaomin; Guo, Fang","Polymerization of α-olefins and their copolymerization with ethylene by half-sandwich scandium catalysts with an N-heterocyclic carbene ligand","Polymer Chemistry","2023","14","7","828","838","10.1039/D2PY01526A","","","0.71073","MoKα","","0.1212","0.0858","","","0.1375","0.1517","","","","","","1.187","","","","has coordinates","281611","2023-03-04","18:48:16",""
"1568291","9.69861","0.00012","9.76722","0.00015","20.1618","0.0003","90","","98.7984","0.0012","90","","1887.42","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N P -","- C20 H18 Cl2 N P -","- C80 H72 Cl8 N4 P4 -","4","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","x-ray","1.54184","CuKα","","0.0512","0.0463","","","0.1265","0.1358","","","","","","1.075","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568292","15.839","0.0004","10.3662","0.0003","19.8011","0.0005","90","","90","","90","","3251.15","0.15","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Cl3 P -","- C18 H12 Cl3 P -","- C144 H96 Cl24 P8 -","8","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","","1.54178","CuKα","","0.032","0.0297","","","0.0783","0.08","","","","","","1.049","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568293","9.8206","0.0003","10.8079","0.0003","11.4388","0.0003","84.15","0.002","67.715","0.003","79.756","0.002","1104.73","0.06","236","4","236","4","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl6 N P -","- C20 H14 Cl6 N P -","- C40 H28 Cl12 N2 P2 -","2","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","x-ray","0.71073","MoKα","","0.0706","0.0462","","","0.1219","0.1339","","","","","","1.082","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568294","4.8136","0.0003","12.6603","0.0004","15.5459","0.0003","98.197","0.002","91.021","0.003","94.611","0.004","934.27","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H9 Cl6 P -","- C18 H9 Cl6 P -","- C36 H18 Cl12 P2 -","2","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","x-ray","1.54184","CuKα","","0.0797","0.0691","","","0.212","0.2423","","","","","","1.1","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568295","9.4252","0.0005","10.4766","0.0006","10.6229","0.0006","91.285","0.002","107.443","0.002","93.782","0.002","997.55","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl4 N P -","- C20 H16 Cl4 N P -","- C40 H32 Cl8 N2 P2 -","2","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","","1.54178","CuKα","","0.0536","0.0521","","","0.1413","0.1437","","","","","","1.053","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568296","16.8845","0.0002","41.326","0.0006","14.1744","0.0003","90","","90","","90","","9890.5","0.3","223","0.1","223","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C31 H53 Co2 O19 V6 -","- C31 H53 Co2 O19 V6 -","- C248 H424 Co16 O152 V48 -","8","1","","Schreiber, Eric; Brennessel, William W.; Matson, Ellen M.","Regioselectivity of concerted proton-electron transfer at the surface of a polyoxovanadate cluster.","Chemical science","2023","14","6","1386","1396","10.1039/d2sc05928b","","x-ray","1.54184","CuKα","","0.1086","0.0854","","","0.2566","0.2815","","","","","","1.064","","","","has coordinates,has disorder","281375","2023-03-04","17:57:10",""
"1568297","11.9826","0.0001","11.9965","0.0001","13.4313","0.0001","95.106","0.001","115.57","0.001","113.864","0.001","1509.23","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C43 H106 N2 O19 V6 -","- C43 H106 N2 O19 V6 -","- C43 H106 N2 O19 V6 -","1","0.5","","Schreiber, Eric; Brennessel, William W.; Matson, Ellen M.","Regioselectivity of concerted proton-electron transfer at the surface of a polyoxovanadate cluster.","Chemical science","2023","14","6","1386","1396","10.1039/d2sc05928b","","x-ray","1.54184","CuKα","","0.0378","0.0361","","","0.0935","0.0945","","","","","","1.078","","","","has coordinates,has disorder","281375","2023-03-04","17:57:10",""
"1568298","16.8365","0.0011","18.0784","0.0013","20.746","0.0012","90","","90","","90","","6314.6","0.7","110.15","","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 F14 Fe6 N6 O20 -","- C36 H50 F14 Fe6 N6 O20 -","- C144 H200 F56 Fe24 N24 O80 -","4","1","","Gu, Yi-Ming; Yuan, You-You; Chen, Cai-Lin; Zhao, Sheng-Sheng; Sun, Tian-Jun; Han, Yu; Liu, Xiao-Wei; Lai, Zhiping; Wang, Shu-Dong","Fluorido-bridged robust metal-organic frameworks for efficient C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation under moist conditions.","Chemical science","2023","14","6","1472","1478","10.1039/d2sc06699h","","x-ray","0.71073","MoKα","","0.1092","0.0668","","","0.1487","0.1689","","","","","","1.034","","","","has coordinates","281371","2023-03-04","17:56:25",""
"1568299","7.1992","0.0017","17.607","0.005","6.177","0.0014","90","","90","","90","","783","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H8 Cl3 N Ni -","- C4 H8 Cl3 N Ni -","- C16 H32 Cl12 N4 Ni4 -","4","0.5","","Ni, Hao-Fei; Ye, Lou-Kai; Zhuge, Peng-Cheng; Hu, Bo-Lan; Lou, Jia-Rui; Su, Chang-Yuan; Zhang, Zhi-Xu; Xie, Li-Yan; Fu, Da-Wei; Zhang, Yi","A nickel(ii)-based one-dimensional organic-inorganic halide perovskite ferroelectric with the highest Curie temperature.","Chemical science","2023","14","7","1781","1786","10.1039/d2sc05857j","","","0.71073","MoKα","","0.0399","0.0337","","","0.0587","0.0607","","","","","","1.081","","","","has coordinates","281380","2023-03-04","17:59:56",""
"1568300","7.35","0.03","17.78","0.07","6.23","0.02","90","","90","","90","","814","5","453","2","453","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl3 N Ni -","- C4 H11 Cl3 N Ni -","- C16 H44 Cl12 N4 Ni4 -","4","0.25","","Ni, Hao-Fei; Ye, Lou-Kai; Zhuge, Peng-Cheng; Hu, Bo-Lan; Lou, Jia-Rui; Su, Chang-Yuan; Zhang, Zhi-Xu; Xie, Li-Yan; Fu, Da-Wei; Zhang, Yi","A nickel(ii)-based one-dimensional organic-inorganic halide perovskite ferroelectric with the highest Curie temperature.","Chemical science","2023","14","7","1781","1786","10.1039/d2sc05857j","","","0.71073","MoKα","","0.0755","0.0612","","","0.1752","0.1863","","","","","","1.006","","","","has coordinates","281380","2023-03-04","17:59:57",""
"1568301","18.202","0.004","29.004","0.006","29.977","0.006","90","","90","","90","","15826","6","80","2","80","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C164 H130 N19 O15 Pd2 -","- C164 H130 N19 O15 Pd2 -","- C656 H520 N76 O60 Pd8 -","4","0.5","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1489","0.117","","","0.3686","0.4027","","","","","","1.462","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568302","30.02","0.004","30.02","0.004","29.369","0.006","90","","90","","90","","26467","7","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C161 H124.5 Cl2.5 N13.5 O13 Pd2 -","- C161 H124.5 Cl2.5 N13.5 O13 Pd2 -","- C1288 H996 Cl20 N108 O104 Pd16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","1.54178","CuKα","","0.0953","0.0891","","","0.2449","0.2527","","","","","","1.012","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568303","21.804","0.004","25.207","0.005","28.839","0.006","90","","97.68","0.03","90","","15708","5","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C166 H138 F24 N12 O P4 Pd2 -","- C166 H138 F24 N12 O P4 Pd2 -","- C664 H552 F96 N48 O4 P16 Pd8 -","4","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1014","0.0911","","","0.2719","0.2823","","","","","","1.031","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568304","30.0723","0.0009","30.0723","0.0009","29.2855","0.0018","90","","90","","90","","26484","2","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C160 H124 N13 O11 Pd2 Re2 -","- C160 H124 N13 O11 Pd2 Re2 -","- C1280 H992 N104 O88 Pd16 Re16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.71073","MoKα","","0.1162","0.1069","","","0.303","0.3144","","","","","","1.051","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568305","22.378","0.005","25.42","0.005","29.183","0.006","90","","97.42","0.03","90","","16462","6","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C169 H145 F24 N12 O1.5 Pd2 Sb4 -","- C169 H145 F24 N12 O1.5 Pd2 Sb4 -","- C676 H580 F96 N48 O6 Pd8 Sb16 -","4","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.0855","0.0721","","","0.2193","0.2326","","","","","","1.061","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568306","30.0828","0.0008","30.0828","0.0008","29.4215","0.0007","90","","90","","90","","26625.7","1.2","100","2","100","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C160 H124 B4 F16 N12 Pd2 -","- C160 H124 B4.01 F16.04 N12 Pd2 -","- C1280 H992 B32.08 F128.32 N96 Pd16 -","8","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","1.54178","CuKα","","0.0948","0.0875","","","0.2597","0.2674","","","","","","1.102","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568307","17.107","0.003","33.911","0.007","27.153","0.005","90","","99.19","0.03","90","","15550","5","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C171.25 H142 F10.5 N12 O11.75 Pd2 S3.5 -","- C171.18 H141.92 F10.5 N12 O11.78 Pd2 S3.5 -","- C684.72 H567.68 F42 N48 O47.12 Pd8 S14 -","4","1","","Bloch, Witold M.; Horiuchi, Shinnosuke; Holstein, Julian J.; Drechsler, Christoph; Wuttke, Axel; Hiller, Wolf; Mata, Ricardo A.; Clever, Guido H.","Maximized axial helicity in a Pd<sub>2</sub>L<sub>4</sub> cage: inverse guest size-dependent compression and mesocate isomerism.","Chemical science","2023","14","6","1524","1531","10.1039/d2sc06629g","","","0.5636","synchrotron","","0.1155","0.0945","","","0.2854","0.3076","","","","","","1.022","","","","has coordinates,has disorder","281377","2023-03-04","17:58:52",""
"1568308","15.9821","0.0004","14.8327","0.0003","19.0411","0.0004","90","","94.264","0.002","90","","4501.35","0.17","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1","","- C24 H30 O4 -","- C24 H30 O4 -","- C192 H240 O32 -","8","2","","Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long","Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.","Chemical science","2023","14","8","2040","2045","10.1039/d2sc05894d","","x-ray","1.54184","CuKα","","0.1083","0.0946","","","0.2749","0.2958","","","","","","1.139","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1568309","12.5957","0.0003","13.0422","0.0004","15.109","0.0005","84.924","0.003","76.057","0.002","69.976","0.002","2263.24","0.12","293","2","293","","","","","","","","","4","P -1","-P 1","2","","1","","- C23 H27 F3 O3 -","- C23 H27 F3 O3 -","- C92 H108 F12 O12 -","4","2","","Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long","Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.","Chemical science","2023","14","8","2040","2045","10.1039/d2sc05894d","","x-ray","1.54184","CuKα","","0.1139","0.0881","","","0.2964","0.3349","","","","","","1.22","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1568310","17.9673","0.0007","15.1856","0.0005","18.5806","0.0008","90","","103.304","0.004","90","","4933.6","0.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1","","- C28 H32 O2 -","- C28 H32 O2 -","- C224 H256 O16 -","8","2","","Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long","Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.","Chemical science","2023","14","8","2040","2045","10.1039/d2sc05894d","","x-ray","1.54184","CuKα","","0.1251","0.0955","","","0.2689","0.3144","","","","","","1.081","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1568311","9.9956","0.001","14.6178","0.0015","32.816","0.003","90","","96.941","0.002","90","","4759.7","0.8","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 B2 F3 Ge N3 O3 P S -","- C43 H61 B2 F3 Ge N3 O3 P S -","- C172 H244 B8 F12 Ge4 N12 O12 P4 S4 -","4","1","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","","0.71073","MoKα","","0.0661","0.0438","","","0.1077","0.1216","","","","","","1.036","","","","has coordinates","281383","2023-03-04","18:00:56",""
"1568312","10.0247","0.0004","14.6574","0.0006","32.8291","0.0014","90","","97.0402","0.0017","90","","4787.4","0.3","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 As B2 F3 Ge N3 O3 S -","- C43 H61 As B2 F3 Ge N3 O3 S -","- C172 H244 As4 B8 F12 Ge4 N12 O12 S4 -","4","1","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","","1.54178","CuKα","","0.0411","0.0397","","","0.1054","0.1072","","","","","","1.059","","","","has coordinates","281383","2023-03-04","18:00:57",""
"1568313","35.1849","0.0003","10.4401","0.0001","35.7996","0.0003","90","","105.925","0.001","90","","12645.7","0.2","100","0.1","100","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C111.65 H163.3 B4 Cl3.3 F6 Ge2 N8 O6 P2 S2 -","- C110.65 H161.3 B4 Cl1.3 F6 Ge2 N8 O6 P2 S2 -","- C442.6 H645.2 B16 Cl5.2 F24 Ge8 N32 O24 P8 S8 -","4","1","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","x-ray","1.54184","CuKα","","0.1081","0.0762","","","0.1957","0.2096","","","","","","1.038","","","","has coordinates,has disorder","281383","2023-03-04","18:00:57",""
"1568314","35.2609","0.0002","10.43718","0.00008","35.8116","0.0003","90","","105.96","0.0007","90","","12671.5","0.17","100","0.1","100","0.1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C55.8 H81.6 As B2 Cl1.6 F3 Ge N4 O3 S -","- C55.8 H81.6 As B2 Cl1.6 F3 Ge N4 O3 S -","- C446.4 H652.8 As8 B16 Cl12.8 F24 Ge8 N32 O24 S8 -","8","2","","Ackermann, Matthias T.; Seidl, Michael; Grande, Riccardo; Zhou, Yuqiao; Ferguson, Michael J.; Timoshkin, Alexey Y.; Rivard, Eric; Scheer, Manfred","A convenient route to mixed cationic group 13/14/15 compounds","Chemical Science","2023","14","9","2313","2317","10.1039/D2SC06594K","","x-ray","1.54184","CuKα","","0.0857","0.0734","","","0.1925","0.1992","","","","","","1.067","","","","has coordinates,has disorder","281383","2023-03-04","18:00:57",""
"1568315","20.0556","0.001","13.4841","0.0005","16.4559","0.0007","90","","107.412","0.005","90","","4246.3","0.3","133","","133","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Fe N4 -","- C40 H62 Fe N4 -","- C160 H248 Fe4 N16 -","4","0.5","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0743","0.0497","","","0.121","0.1327","","","","","","1.025","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568316","12.836","0.004","12.928","0.004","13.403","0.004","90","","104.798","0.004","90","","2150.4","1.1","203","","203","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 Fe Ge2 N4 -","- C46 H62 Fe Ge2 N4 -","- C92 H124 Fe2 Ge4 N8 -","2","0.5","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0878","0.0607","","","0.133","0.147","","","","","","1.083","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568317","14.0493","0.0006","24.0246","0.0009","19.8466","0.0007","90","","92.615","0.004","90","","6691.8","0.4","113","","113","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C74 H90 Fe Ge4 N4 O2 -","- C74 H90 Fe Ge4 N4 O2 -","- C296 H360 Fe4 Ge16 N16 O8 -","4","1","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.71075","MoKα","","0.0749","0.0505","","","0.0899","0.0996","","","","","","1.015","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568318","12.2039","0.0002","20.0943","0.0003","22.0081","0.0004","90","","98.0205","0.0016","90","","5344.23","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 Fe Ge3 N4 -","- C58 H70 Fe Ge3 N4 -","- C232 H280 Fe4 Ge12 N16 -","4","1","","Kobayashi, Yoshinao; Sunada, Yusuke","Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.","Chemical science","2023","14","5","1065","1071","10.1039/d2sc06011f","","","0.4122","synchrotron","","0.1582","0.075","","","0.1349","0.1567","","","","","","1.032","","","","has coordinates","281352","2023-03-04","17:50:55",""
"1568319","16.684","0.0005","19.1264","0.0005","10.702","0.0003","90","","90","","90","","3415.06","0.17","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H54 Cl N3 O3 -","- C32 H54 Cl N3 O3 -","- C128 H216 Cl4 N12 O12 -","4","0.5","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","1.54178","CuKα","","0.1003","0.08","","","0.1887","0.2029","","","","","","1.062","","","","has coordinates,has disorder","282304","2023-04-04","10:04:30",""
"1568320","19.8888","0.0005","11.5941","0.0003","20.0988","0.0005","90","","112.329","0.001","90","","4287.12","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 Cl2 N5 Sc -","- C45 H58 Cl2 N5 Sc -","- C180 H232 Cl8 N20 Sc4 -","4","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","1.54178","CuKα","","0.0382","0.0336","","","0.0896","0.0946","","","","","","1.052","","","","has coordinates,has disorder","282304","2023-04-04","10:04:31",""
"1568321","11.7634","0.0003","18.4422","0.0005","19.7845","0.0006","90","","93.583","0.001","90","","4283.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H64 Gd N5 -","- C47 H64 Gd N5 -","- C188 H256 Gd4 N20 -","4","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","0.71073","MoKα","","0.0415","0.0305","","","0.054","0.058","","","","","","1.103","","","","has coordinates","282304","2023-04-04","10:04:31",""
"1568322","10.8628","0.0007","11.7806","0.0007","18.3075","0.001","86.193","0.002","83.654","0.002","71.048","0.002","2201.1","0.2","173","2","173","2","","","","","","","Hexane","4","P -1","-P 1","2","","","","- C47 H64 N5 Y -","- C47 H64 N5 Y -","- C94 H128 N10 Y2 -","2","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","0.71073","MoKα","","0.0385","0.0302","","","0.0693","0.0753","","","","","","1.072","","","","has coordinates,has disorder","282304","2023-04-04","10:04:31",""
"1568323","19.891","0.002","11.624","0.0012","20.148","0.002","90","","112.715","0.002","90","","4297.2","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H64 N5 Sc -","- C47 H64 N5 Sc -","- C188 H256 N20 Sc4 -","4","1","","Wang, Shiyu; Zhu, Chenhao; Ning, Lichao; Li, Dawei; Feng, Xiaoming; Dong, Shunxi","Regioselective C-H alkylation of anisoles with olefins by cationic imidazolin-2-iminato scandium(iii) alkyl complexes.","Chemical science","2023","14","12","3132","3139","10.1039/d2sc06725k","","","0.71073","MoKα","","0.118","0.1083","","","0.2108","0.2142","","","","","","1.419","","","","has coordinates,has disorder","282304","2023-04-04","10:04:31",""
"1568324","14.149","0.0006","7.7293","0.0003","20.6546","0.0009","90","","91.659","0.004","90","","2257.88","0.16","95","0.1","95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H22 B20 I2 S2 -","- C4 H22 B20 I2 S2 -","- C16 H88 B80 I8 S8 -","4","1","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","x-ray","1.54184","CuKα","","0.058","0.0405","","","0.0907","0.0972","","","","1.7126","1.7126","1.5754","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1568325","11.4344","0.0006","11.4344","0.0006","29.4398","0.0016","90","","90","","120","","3333.4","0.3","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C8 H44 B40 Cu4 S4 -","- C8 H44 B40 Cu4 S4 -","- C24 H132 B120 Cu12 S12 -","3","0.5","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.057","0.0513","","","0.1266","0.1305","","","","","","1.121","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1568326","12.716","0.003","12.716","0.003","39.812","0.008","90","0.03","90","0.03","90","0.03","6437","3","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C8 H41 B40 Cu4 I3 S4 -","- C8 H41 B40 Cu4 I3 S4 -","- C32 H164 B160 Cu16 I12 S16 -","4","0.5","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.1123","0.1061","","","0.2772","0.2841","","","","","","1.082","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1568327","11.3989","0.0007","11.9482","0.0007","32.3144","0.0019","90","","91.213","0.002","90","","4400.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H44 B40 Cu4 S4 -","- C8 H44 B40 Cu4 S4 -","- C32 H176 B160 Cu16 S16 -","4","1","","Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil","Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.","Chemical science","2023","14","6","1613","1626","10.1039/d2sc06578a","","","0.71073","MoKα","","0.1808","0.0986","","","0.1819","0.2141","","","","","","1.116","","","","has coordinates","281373","2023-03-04","17:56:52",""
"1568328","21.584","0.0009","13.1523","0.0005","17.7764","0.0007","90","","91.481","0.002","90","","5044.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H63 Cl3 Cr2 O5 P2 -","- C50 H63 Cl3 Cr2 O5 P2 -","- C200 H252 Cl12 Cr8 O20 P8 -","4","0.5","","Ji, Li; Song, Ping; Zhou, Youyun; Sun, Xiu-Li; Gao, Yanshan; Tang, Yong","A tridentate phenoxy-phosphine (POP) divalent chromium complex and its reactivities in olefin polymerization","Polymer Chemistry","2023","14","6","763","772","10.1039/D2PY01509A","","x-ray","1.54178","CuKα","","0.0356","0.0341","","","0.0913","0.0929","","","","","","1.06","","","","has coordinates,has disorder","281610","2023-03-04","18:47:46",""
"1568331","14.8529","0.0012","20.5937","0.0018","5.5853","0.0005","90","","90","","90","","1708.4","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C80 H76 N4 O20 -","4","1","","d’Aleman, Antoine; Gayraud, Oscar; Fressigné, Catherine; Petit, Emilie; Bailly, Laetitia; Maddaluno, Jacques; De Paolis, Michaël","Organocatalyzed enantio- and diastereoselective isomerization of prochiral 1,3-cyclohexanediones into nonalactones bearing distant stereocenters","Chemical Science","2023","14","8","2107","2113","10.1039/D2SC06842G","","","0.71073","MoKα","","0.0378","0.0364","","","0.0916","0.0925","","","","","","1.081","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568332","12.0582","0.0004","13.8579","0.0005","23.2328","0.0008","90.646","0.001","97.97","0.001","86.033","0.001","3835.5","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma2)1.5].(depma2)0.5.CH3OH","","- C77 H88 Dy N3 O22 P4 -","- C77 H88 Dy N3 O22 P4 -","- C154 H176 Dy2 N6 O44 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks <i>via</i> reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","0.71073","MoKα","","0.0697","0.0504","","","0.1148","0.1222","","","","","","1.04","","","","has coordinates,has disorder","281382","2023-03-04","18:00:22",""
"1568333","12.0168","0.0018","13.485","0.002","23.445","0.003","90.47","0.006","97.255","0.004","93.184","0.006","3762.5","0.9","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma2)1.5].(depma2)0.5","","- C76 H84 Dy N3 O21 P4 -","- C76 H84 Dy N3 O21 P4 -","- C152 H168 Dy2 N6 O42 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks <i>via</i> reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","0.71073","MoKα","","0.0921","0.069","","","0.1765","0.1954","","","","","","1.072","","","","has coordinates,has disorder","281382","2023-03-04","18:00:22",""
"1568334","12.1321","0.001","13.3341","0.001","23.3083","0.0017","90.473","0.003","95.995","0.003","92.718","0.003","3745.4","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma)(depma2)].(depma2)0.5","","- C76 H84 Dy N3 O21 P4 -","- C76 H84 Dy N3 O21 P4 -","- C152 H168 Dy2 N6 O42 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks <i>via</i> reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","0.71073","MoKα","","0.0827","0.0581","","","0.1485","0.1703","","","","","","1.034","","","","has coordinates","281382","2023-03-04","18:00:22",""
"1568335","12.0667","0.0005","13.4722","0.0006","23.4814","0.001","90.745","0.002","97.128","0.002","93.145","0.002","3781.3","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","[Dy(NO3)3(depma2)1.5].(depma2)0.5","","- C76 H84 Dy N3 O21 P4 -","- C76 H84 Dy N3 O21 P4 -","- C152 H168 Dy2 N6 O42 P8 -","2","1","","Huang, Xin-Da; Hong, Ben-Kun; Wen, Ge-Hua; Li, Shu-Hua; Zheng, Li-Min","Photo-controllable heterostructured crystals of metal-organic frameworks <i>via</i> reversible photocycloaddition.","Chemical science","2023","14","7","1852","1860","10.1039/d2sc06732c","","","1.34139","GaKα","","0.0941","0.0755","","","0.2062","0.2204","","","","","","1.073","","","","has coordinates","281382","2023-03-04","18:00:22",""
"1568336","15.5164","0.0002","9.4299","0.0001","17.7244","0.0003","90","","108.412","0.002","90","","2460.64","0.07","99.9","0.3","99.9","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 N4 Ni -","- C24 H44 N4 Ni -","- C96 H176 N16 Ni4 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0369","0.0318","","","0.0794","0.0824","","","","","","1.039","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568337","15.7119","0.0003","9.6716","0.0002","19.5224","0.0003","90","","94.027","0.002","90","","2959.28","0.1","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 N4 Ni -","- C30 H54 N4 Ni -","- C120 H216 N16 Ni4 -","4","0.5","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0453","0.0433","","","0.1115","0.1132","","","","","","1.044","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50",""
"1568338","5.7823","0.0002","8.4295","0.0004","14.2439","0.0005","87.274","0.003","84.401","0.003","89.585","0.003","690.18","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 B2 O4 -","- C16 H14 B2 O4 -","- C32 H28 B4 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0687","0.0668","","","0.2217","0.2231","","","","","","1.187","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568339","12.0496","0.0001","19.7726","0.0001","16.7786","0.0001","90","","110.877","0.001","90","","3735.09","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H64 B2 N4 Ni O4 -","- C34 H64 B2 N4 Ni O4 -","- C136 H256 B8 N16 Ni4 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0408","0.0397","","","0.0945","0.0949","","","","","","1.201","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568340","10.8305","0.0002","18.882","0.0003","19.1567","0.0003","62.566","0.002","83.687","0.002","81.606","0.001","3435.69","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 B2 N4 Ni O4 -","- C34 H48 B2 N4 Ni O4 -","- C136 H192 B8 N16 Ni4 O16 -","4","2","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0451","0.0396","","","0.1039","0.1076","","","","","","1.074","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568341","10.2981","0.0002","17.9201","0.0002","18.0389","0.0003","116.089","0.002","93.688","0.001","93.509","0.001","2968.67","0.1","99.9","0.7","99.9","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C26 H48 B2 N4 Ni O4 -","- C26 H48 B2 N4 Ni O4 -","- C104 H192 B8 N16 Ni4 O16 -","4","2","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0485","0.0445","","","0.1212","0.1246","","","","","","1.017","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50",""
"1568342","6.3585","0.0001","8.8436","0.0002","16.0653","0.0004","100.552","0.002","97.42","0.002","93.988","0.002","876.64","0.03","99.9","0.6","99.9","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 B2 O4 -","- C21 H16 B2 O4 -","- C42 H32 B4 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0464","0.0419","","","0.1127","0.1173","","","","","","1.047","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568343","10.237","0.0002","11.4631","0.0002","13.66","0.0003","113.599","0.002","91.47","0.002","93.724","0.002","1463.47","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 B2 F6 O4 -","- C34 H22 B2 F6 O4 -","- C68 H44 B4 F12 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0461","0.0405","","","0.1069","0.1114","","","","","","1.071","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50",""
"1568344","10.0336","0.0001","12.4047","0.0002","12.9515","0.0003","62.329","0.002","78.295","0.001","83.938","0.001","1397.82","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 B4 O8 -","- C31 H25 B4 O8 -","- C62 H50 B8 O16 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.047","0.044","","","0.112","0.1144","","","","","","1.02","","","","has coordinates,has disorder","281345","2023-03-04","17:48:50",""
"1568345","10.3698","0.0002","10.8321","0.0002","11.1405","0.0003","94.791","0.002","108.533","0.002","103.715","0.002","1135.37","0.05","100","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 B2 O4 -","- C28 H22 B2 O4 -","- C56 H44 B4 O8 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0399","0.037","","","0.0959","0.0985","","","","","","1.05","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568346","10.3586","0.0001","16.2208","0.0002","20.3367","0.0002","90","","94.882","0.001","90","","3404.67","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 B2 N2 O4 -","- C39 H42 B2 N2 O4 -","- C156 H168 B8 N8 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0422","0.0372","","","0.0953","0.0987","","","","","","1.055","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568347","12.9444","0.0002","15.0597","0.0001","9.5195","0.0001","90","","98.503","0.001","90","","1835.32","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 B2 O4 -","- C20 H20 B2 O4 -","- C80 H80 B8 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0469","0.0436","","","0.1156","0.1185","","","","","","1.046","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568348","9.7326","0.0002","10.1947","0.0002","19.1912","0.0005","76.146","0.002","86.927","0.002","64.991","0.002","1672.98","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H35 B4 N O8 Si -","- C37 H35 B4 N O8 Si -","- C74 H70 B8 N2 O16 Si2 -","2","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","","1.54184","CuKα","","0.0495","0.0429","","","0.1164","0.121","","","","","","1.04","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568349","11.2396","0.0001","19.3916","0.0001","19.4256","0.0001","90","","97.714","0.001","90","","4195.57","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 B2 N4 Ni O4 -","- C42 H62 B2 N4 Ni O4 -","- C168 H248 B8 N16 Ni4 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0379","0.0342","","","0.0884","0.091","","","","","","1.063","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568350","12.3362","0.0001","17.5427","0.0002","17.1923","0.0002","90","","97.966","0.001","90","","3684.69","0.07","99.9","0.4","99.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 B2 N4 Ni O4 -","- C38 H54 B2 N4 Ni O4 -","- C152 H216 B8 N16 Ni4 O16 -","4","1","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0399","0.0362","","","0.0977","0.1003","","","","","","1.046","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568351","9.8008","0.0001","11.1639","0.0001","20.6104","0.0003","81.513","0.001","82.36","0.001","66.213","0.001","2034.2","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 B2 O4 -","- C26 H18 B2 O4 -","- C104 H72 B8 O16 -","4","2","","Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo","Nickel boryl complexes and nickel-catalyzed alkyne borylation.","Chemical science","2023","14","8","2215","2228","10.1039/d2sc04690c","","x-ray","1.54184","CuKα","","0.0397","0.0368","","","0.0941","0.0973","","","","","","0.647","","","","has coordinates","281345","2023-03-04","17:48:50",""
"1568352","15.389","0.003","8.8015","0.0018","23.005","0.009","90","","101.75","0.03","90","","3050.6","1.5","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 N6 O2 Sn2 -","- C34 H34 N6 O2 Sn2 -","- C136 H136 N24 O8 Sn8 -","4","0.5","","Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja","Excited state energy landscape of phosphorescent group 14 complexes.","Chemical science","2023","14","10","2489","2500","10.1039/d2sc06984a","","","0.71073","MoKα","","0.0309","0.0293","","","0.0719","0.073","","","","","","1.11","","","","has coordinates","283149","2023-05-05","00:54:10",""
"1568353","28.972","0.004","28.972","0.004","8.1427","0.0016","90","","90","","120","","5919.1","1.6","120","2","120","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C15 H13 N3 Sn -","- C15 H13 N3 Sn -","- C270 H234 N54 Sn18 -","18","2","","Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja","Excited state energy landscape of phosphorescent group 14 complexes.","Chemical science","2023","14","10","2489","2500","10.1039/d2sc06984a","","","0.71073","MoKα","","0.0378","0.037","","","0.0952","0.0958","","","","","","1.133","","","","has coordinates,has disorder","283149","2023-05-05","00:54:10",""
"1568354","14.475","0.0015","22.912","0.002","31.837","0.003","90","","90","","90","","10558.8","1.7","120","","120","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C60 H46 Cl6 N4 O8 -","- C60 H46 Cl6 N4 O8 -","- C480 H368 Cl48 N32 O64 -","8","2","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.1825","0.1111","","","0.2443","0.2831","","","","","","1.022","","","","has coordinates,has disorder","282302","2023-04-04","10:03:40",""
"1568355","8.7404","0.0011","9.8973","0.0014","15.641","0.002","100.242","0.006","95.44","0.006","96.856","0.007","1312.6","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H43 N5 O10 -","- C58 H43 N5 O10 -","- C58 H43 N5 O10 -","1","0.5","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.2968","0.1396","","","0.388","0.4474","","","","","","1.098","","","","has coordinates,has disorder","282302","2023-04-04","10:03:49",""
"1568356","10.4617","0.0015","12.3933","0.0019","13.748","0.002","67.233","0.01","88.114","0.011","80.705","0.01","1621.2","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 Cl12 N6 O12 -","- C62 H46 Cl12 N6 O12 -","- C62 H46 Cl12 N6 O12 -","1","0.5","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.1294","0.0597","","","0.1311","0.1584","","","","","","0.973","","","","has coordinates,has disorder","282302","2023-04-04","10:03:52",""
"1568357","26.736","0.003","16.294","0.002","14.3851","0.0017","90","","114.589","0.005","90","","5698.4","1.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 N4 O8 -","- C58 H44 N4 O8 -","- C232 H176 N16 O32 -","4","0.5","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.103","0.0835","","","0.2464","0.2585","","","","","","1.05","","","","has coordinates,has disorder","282302","2023-04-04","10:03:56",""
"1568358","9.412","0.002","23.109","0.016","30.268","0.01","86.235","0.007","85.355","0.002","89.587","0.009","6548","5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C117 H89 Cl3 N8 O16 -","- C117 H89 Cl3 N8 O16 -","- C234 H178 Cl6 N16 O32 -","2","1","","Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman","The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.","Chemical science","2023","14","12","3147","3153","10.1039/d2sc06162g","","","0.71073","MoKα","","0.3913","0.1584","","","0.4012","0.539","","","","","","0.971","","","","has coordinates,has disorder","282302","2023-04-04","10:03:57",""
"1568359","8.3226","0.0004","9.9577","0.0005","10.0572","0.0005","91.536","0.004","113.802","0.005","111.884","0.005","692.05","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 F4 N3 O4 S2 -","- C8 H11 F4 N3 O4 S2 -","- C16 H22 F8 N6 O8 S4 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","0.71073","MoKα","","0.0431","0.038","","","0.0965","0.0999","","","","","","1.094","","","","has coordinates","283153","2023-05-05","00:55:33",""
"1568360","7.9455","0.0002","8.6095","0.0002","9.9932","0.0002","95.988","0.002","110.473","0.002","105.27","0.002","603.04","0.03","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C7 H11 F2 N3 O4 S2 -","- C7 H11 F2 N3 O4 S2 -","- C14 H22 F4 N6 O8 S4 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0329","0.0325","","","0.0818","0.0822","","","","","","1.053","","","","has coordinates,has disorder","283153","2023-05-05","00:55:43",""
"1568361","10.1756","0.0002","11.1177","0.0002","14.7584","0.0003","71.995","0.002","74.529","0.002","89.874","0.002","1524.43","0.06","100","2","100","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C9 H11 F6 N3 O4 S2 -","- C9 H11 F6 N3 O4 S2 -","- C36 H44 F24 N12 O16 S8 -","4","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0386","0.0356","","","0.0967","0.0989","","","","","","1.085","","","","has coordinates","283153","2023-05-05","00:55:46",""
"1568362","18.1649","0.0003","8.3747","0.0001","23.0541","0.0005","90","","90","","90","","3507.12","0.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H15 F6 N3 O4 S2 -","- C11 H15 F6 N3 O4 S2 -","- C88 H120 F48 N24 O32 S16 -","8","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0693","0.0577","","","0.1546","0.1676","","","","","","1.073","","","","has coordinates","283153","2023-05-05","00:55:56",""
"1568363","9.2307","0.0001","9.6375","0.0001","16.6863","0.0001","90","","90","","90","","1484.43","0.02","100","2","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 F2 N2 O4 S2 -","- C10 H20 F2 N2 O4 S2 -","- C40 H80 F8 N8 O16 S8 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0713","0.0718","","","","","","1.063","","","","has coordinates","283153","2023-05-05","00:55:59",""
"1568364","12.0609","0.0001","8.4597","0.0001","34.0782","0.0002","90","","93.118","0.001","90","","3471.91","0.05","100","2","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 F12 N6 O8 S4 -","- C20 H30 F12 N6 O8 S4 -","- C80 H120 F48 N24 O32 S16 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.1013","0.0994","","","0.2143","0.2149","","","","","","2.948","","","","has coordinates,has disorder","283153","2023-05-05","00:56:33",""
"1568365","8.25097","0.00018","10.3115","0.0002","19.7803","0.0005","90","","98.622","0.002","90","","1663.89","0.06","238","2","238.49","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 F4 N2 O4 S2 -","- C11 H20 F4 N2 O4 S2 -","- C44 H80 F16 N8 O16 S8 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0978","0.0906","","","0.273","0.2872","","","","","","1.15","","","","has coordinates","283153","2023-05-05","00:56:36",""
"1568366","5.6676","0.0001","16.1685","0.0002","11.191","0.0001","90","","98.415","0.001","90","","1014.46","0.02","100","2","99.9","0.6","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H15 Ag F4 N4 O8 S4 -","- C10 H15 Ag F4 N4 O8 S4 -","- C20 H30 Ag2 F8 N8 O16 S8 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0392","0.0379","","","0.1035","0.1064","","","","","","1.037","","","","has coordinates","283153","2023-05-05","00:56:48",""
"1568367","8.9762","0.0001","18.0158","0.0001","35.4048","0.0002","90","","90","","90","","5725.43","0.08","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H15 F2 N3 O4 S2 -","- C9 H15 F2 N3 O4 S2 -","- C144 H240 F32 N48 O64 S32 -","16","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0474","0.0455","","","0.1317","0.1335","","","","","","1.056","","","","has coordinates,has disorder","283153","2023-05-05","00:56:51",""
"1568368","5.9059","0.0001","8.225","0.0002","10.7395","0.0002","103.427","0.002","101.901","0.002","107.938","0.002","460.501","0.019","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H11 Ag F4 N4 O8 S4 -","- C8 H11 Ag F4 N4 O8 S4 -","- C8 H11 Ag F4 N4 O8 S4 -","1","0.5","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","0.71073","MoKα","","0.0352","0.0273","","","0.0691","0.0723","","","","","","1.042","","","","has coordinates,has disorder","283153","2023-05-05","00:56:56",""
"1568369","8.1326","0.0001","11.5911","0.0001","17.2771","0.0001","104.234","0.001","95.326","0.001","92.313","0.001","1568.45","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H15 F4 N3 O4 S2 -","- C10 H15 F4 N3 O4 S2 -","- C40 H60 F16 N12 O16 S8 -","4","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0559","0.053","","","0.1451","0.1503","","","","","","1.083","","","","has coordinates","283153","2023-05-05","00:56:59",""
"1568370","8.981","0.0001","9.3656","0.0001","11.9008","0.0002","70.207","0.001","75.403","0.001","71.869","0.001","882.98","0.02","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 F6 N2 O4 S2 -","- C12 H20 F6 N2 O4 S2 -","- C24 H40 F12 N4 O8 S4 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0712","0.0698","","","0.1911","0.1931","","","","","","1.062","","","","has coordinates","283153","2023-05-05","00:57:08",""
"1568371","9.5881","0.0002","10.8805","0.0002","11.469","0.0001","87.979","0.001","78.644","0.001","64.936","0.002","1061.04","0.04","100","2","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C11 H20 Ag F4 N3 O8 S4 -","- C11 H20 Ag F4 N3 O8 S4 -","- C22 H40 Ag2 F8 N6 O16 S8 -","2","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0572","0.0556","","","0.1526","0.1553","","","","","","1.063","","","","has coordinates,has disorder","283153","2023-05-05","00:57:11",""
"1568372","8.5369","0.0002","12.0251","0.0002","17.0606","0.0004","90","","96.799","0.002","90","","1739.07","0.06","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl2 N2 O2 Pd -","- C16 H20 Cl2 N2 O2 Pd -","- C64 H80 Cl8 N8 O8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0418","0.0376","","","0.0874","0.0913","","","","","","1.057","","","","has coordinates","281612","2023-03-04","18:48:32",""
"1568373","16.7813","0.0009","8.4205","0.0003","26.3272","0.0013","90","","103.427","0.005","90","","3618.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 Cl2 N2 O2 Pd -","- C17 H22 Cl2 N2 O2 Pd -","- C136 H176 Cl16 N16 O16 Pd8 -","8","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0675","0.0453","","","0.0926","0.099","","","","","","1.047","","","","has coordinates","281612","2023-03-04","18:48:32",""
"1568374","12.3508","0.0005","14.1078","0.0005","10.6617","0.0005","90","","101.286","0.004","90","","1821.8","0.13","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H22 Br2 N2 O2 Pd -","- C17 H22 Br2 N2 O2 Pd -","- C68 H88 Br8 N8 O8 Pd4 -","4","0.5","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0483","0.0379","","","0.0898","0.0942","","","","","","1.028","","","","has coordinates","281612","2023-03-04","18:48:32",""
"1568375","12.63","0.0005","13.0697","0.0005","16.0599","0.0006","67.524","0.004","81.219","0.004","78.077","0.004","2388.82","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H52 Cl2 O5 P2 Pd -","- C57 H52 Cl2 O5 P2 Pd -","- C114 H104 Cl4 O10 P4 Pd2 -","2","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0601","0.0443","","","0.0921","0.0996","","","","","","1.047","","","","has coordinates","281612","2023-03-04","18:48:32",""
"1568376","12.4623","0.0003","10.8537","0.0003","32.8318","0.0008","90","","93.985","0.002","90","","4430.2","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.34 H42.68 Cl2 O3.45 P2 Pd -","- C50.341 H42.682 Cl2 O3.447 P2 Pd -","- C201.364 H170.728 Cl8 O13.788 P8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0817","0.0574","","","0.1307","0.141","","","","","","1.033","","","","has coordinates,has disorder","281612","2023-03-04","18:48:32",""
"1568377","32.1117","0.0004","12.4315","0.0002","10.0614","0.0001","90","","90","","90","","4016.48","0.09","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H33 Cl5 Fe O2 P2 Pd -","- C45 H33 Cl5 Fe O2 P2 Pd -","- C180 H132 Cl20 Fe4 O8 P8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0303","0.0276","","","0.0549","0.0558","","","","","","1.066","","","","has coordinates","281612","2023-03-04","18:48:32",""
"1568378","20.2129","0.0009","13.654","0.0004","20.7338","0.0008","90","","116.67","0.005","90","","5113.4","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H51 Cl2 O4 P2 Pd -","- C63 H51 Cl2 O4 P2 Pd -","- C252 H204 Cl8 O16 P8 Pd4 -","4","1","","Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji","Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates","Polymer Chemistry","2023","14","9","1007","1018","10.1039/D2PY01548J","","x-ray","0.71073","MoKα","","0.0772","0.0504","","","0.1087","0.1187","","","","","","1.05","","","","has coordinates,has disorder","281612","2023-03-04","18:48:32",""
"1568379","27.5152","0.0014","48.566","0.003","55.058","0.003","90","","91.649","0.001","90","","73544","7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C422 H299 B11.5 F47 N72 O27.75 Zn8 -","- C422 H288 B11.75 F47 N72 O27.4999 Zn8 -","- C1688 H1152 B47 F188 N288 O110 Zn32 -","4","1","","Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng","Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest.","Chemical science","2023","14","8","2237","2244","10.1039/d2sc06022a","","","0.71073","MoKα","","0.3647","0.1153","","","0.2815","0.3155","","","","","","0.983","","","","has coordinates,has disorder","281344","2023-03-04","17:48:05",""
"1568380","27.2167","0.0015","33.1187","0.0019","38.817","0.002","88.598","0.002","88.357","0.001","83.075","0.002","34712","3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C453.5 H351.5 B7.5 Br F30 N77.5 O62 Zn8 -","- C453.5 H289.5 B7.5 Br F30 N77.5 O62.0005 Zn8 -","- C907 H579 B15 Br2 F60 N155 O124.001 Zn16 -","2","1","","Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng","Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest.","Chemical science","2023","14","8","2237","2244","10.1039/d2sc06022a","","","0.71073","MoKα","","0.2409","0.1497","","","0.3963","0.4502","","","","","","0.976","","","","has coordinates,has disorder","281344","2023-03-04","17:48:06",""
"1568381","7.2214","0.0005","28.506","0.002","13.0812","0.0009","90","","92.638","0.003","90","","2690","0.3","100","0.5","100","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H26 Cl N O2 -","- C34 H26 Cl N O2 -","- C136 H104 Cl4 N4 O8 -","4","2","","Das, Saikat; Kondoh, Azusa; Terada, Masahiro","Enantioselective direct Michael addition of cyanohydrin ether derivatives to enones catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase.","Chemical science","2023","14","12","3154","3159","10.1039/d2sc07065k","","","0.71073","MoKα","","0.0705","0.0681","","","0.1756","0.1777","","","","","","1.073","","","","has coordinates","282305","2023-04-04","10:04:40",""
"1568384","18.0228","0.0008","18.6557","0.0011","24.1397","0.001","81.335","0.004","80.527","0.004","62.02","0.005","7044.8","0.7","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C114 H226 Cr4 O28 Si7 -","- C114 H226 Cr4 O28 Si7 -","- C228 H452 Cr8 O56 Si14 -","2","1","","Nobile, Anna Giorgia; Trummer, David; Berkson, Zachariah J.; Wörle, Michael; Copéret, Christophe; Payard, Pierre-Adrien","Assigning 1H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst","Chemical Science","2023","14","9","2361","2368","10.1039/D2SC06827C","","x-ray","0.71073","MoKα","K-L~3~","0.1753","0.0875","","","0.1533","0.1928","","","","","","1.021","","","","has coordinates,has disorder","281393","2023-03-04","18:02:43",""
"1568385","8.8055","0.0007","11.8006","0.0009","19.3349","0.0015","90","","91.749","0.004","90","","2008.2","0.3","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F N2 O4 -","- C24 H21 F N2 O4 -","- C96 H84 F4 N8 O16 -","4","1","","Zhang, Jingming; Liu, Chengkou; Qiao, Yaqi; Wei, Minghui; Guan, Wenjing; Mao, Ziren; Qin, Hong; Fang, Zheng; Guo, Kai","Intramolecular trapping of spiro radicals to produce unusual cyclization products from usual migration substrates","Chemical Science","2023","14","9","2461","2466","10.1039/D2SC05768A","","","1.34139","GaKα","","0.0676","0.049","","","0.1247","0.1382","","","","","","1.057","","","","has coordinates","281392","2023-03-04","18:02:33",""
"1568400","12.6048","0.0004","9.0445","0.0003","13.8167","0.0005","90","","109.575","0.002","90","","1484.12","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cl2 N3 O Pd S -","- C11 H17 Cl2 N3 O Pd S -","- C44 H68 Cl8 N12 O4 Pd4 S4 -","4","1","","Silvia Gutiérrez-Tarriño; Javier Espino; Francisco Luna-Giles; Ana B. Rodríguez; Jos'e A. Pariente; Emilio Viñuelas-Zahínos","Synthesis, Characterization and Antiproliferative Evaluation of Pt(II) and Pd(II) Complexes with a Thiazine-Pyridine Derivative Ligand","Pharmaceuticals","2021","14","","395","","10.3390/ph14050395","","","0.71073","MoKα","","0.0376","0.0273","","","0.0513","0.0545","","","","","","1.021","","","","has coordinates","296814","2024-12-10","08:46:16",""
"1568401","12.6205","0.0004","9.0616","0.0002","13.8145","0.0004","90","","109.54","0.002","90","","1488.87","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cl2 N3 O Pt S -","- C11 H17 Cl2 N3 O Pt S -","- C44 H68 Cl8 N12 O4 Pt4 S4 -","4","1","","Silvia Gutiérrez-Tarriño; Javier Espino; Francisco Luna-Giles; Ana B. Rodríguez; Jos'e A. Pariente; Emilio Viñuelas-Zahínos","Synthesis, Characterization and Antiproliferative Evaluation of Pt(II) and Pd(II) Complexes with a Thiazine-Pyridine Derivative Ligand","Pharmaceuticals","2021","14","","395","","10.3390/ph14050395","","","0.71073","MoKα","","0.0494","0.0302","","","0.0443","0.0482","","","","","","0.993","","","","has coordinates","296814","2024-12-10","08:46:16",""
"1568402","6.968","","9.577","","9.593","","96","","97.83","","101.18","","616.489","","100","0.1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl N3 O2 S -","- C9 H16 Cl N3 O2 S -","- C18 H32 Cl2 N6 O4 S2 -","2","1","","Silvia Gutiérrez-Tarriño; Javier Espino; Francisco Luna-Giles; Ana B. Rodríguez; Jos'e A. Pariente; Emilio Viñuelas-Zahínos","Synthesis, Characterization and Antiproliferative Evaluation of Pt(II) and Pd(II) Complexes with a Thiazine-Pyridine Derivative Ligand","Pharmaceuticals","2021","14","","395","","10.3390/ph14050395","","","0.71073","MoKα","","0.0502","0.0422","","","0.1246","0.1295","","","","","","1.052","","","","has coordinates,has disorder","280922","2023-02-15","12:11:53",""
"1568405","10.53468","0.00011","6.40021","0.00007","13.58053","0.00014","90","","106.401","0.0011","90","","878.396","0.017","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O3 S2 -","- C18 H18 N2 O3 S2 -","- C36 H36 N4 O6 S4 -","2","1","","Ma, Zhaoming; Sun, Lantian; Zhou, Jianrong Steve","Catalytic enantioselective alkenylation-heteroarylation of olefins: stereoselective syntheses of 5-7 membered azacycles and oxacycles.","Chemical science","2023","14","11","3010","3017","10.1039/d2sc07117g","","x-ray","1.54184","CuKα","","0.0252","0.0251","","","0.0684","0.0686","","","","","","1.054","","","","has coordinates,has disorder","282298","2023-04-04","10:02:12",""
"1568406","6.2789","0.0008","21.884","0.002","7.7197","0.0009","90","","111.31","0.004","90","","988.22","0.19","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 As Cl F11 N -","- C5 As Cl F11 N -","- C20 As4 Cl4 F44 N4 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0548","0.0425","","","0.0957","0.0991","","","","","","1.095","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568407","13.9435","0.0006","6.5593","0.0003","7.0669","0.0004","90","","90","","90","","646.34","0.05","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C5 H5 Cl2 N -","- C5 H5 Cl2 N -","- C20 H20 Cl8 N4 -","4","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0322","0.0257","","","0.0589","0.0641","","","","","","1.054","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568408","15.093","0.009","14.455","0.007","15.759","0.008","90","","108.451","0.018","90","","3261","3","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H30 B2 Cl2 F8 N6 -","- C26 H30 B2 Cl2 F8 N6 -","- C104 H120 B8 Cl8 F32 N24 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0583","0.0524","","","0.1276","0.1295","","","","","","1.143","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568409","8.3507","0.001","6.7026","0.0006","15.1667","0.0017","90","","104.077","0.005","90","","823.41","0.15","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C14 H18 Cl4 N2 -","- C14 H18 Cl4 N2 -","- C28 H36 Cl8 N4 -","2","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0287","0.025","","","0.0662","0.068","","","","","","1.059","","","","has coordinates,has disorder","281384","2023-03-04","18:01:13",""
"1568410","13.6718","0.0018","15.798","0.002","15.142","0.002","90","","90","","90","","3270.5","0.7","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H30 Ag B2 F8 N6 -","- C26 H30 Ag B2 F8 N6 -","- C104 H120 Ag4 B8 F32 N24 -","4","0.5","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0589","0.0539","","","0.1249","0.1274","","","","","","1.247","","","","has coordinates,has disorder","281384","2023-03-04","18:01:13",""
"1568411","5.3882","0.0007","15.2962","0.0017","7.9427","0.001","90","","105.459","0.004","90","","630.95","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- As Cl2 F7 -","- As Cl2 F7 -","- As4 Cl8 F28 -","4","1","","Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian","On pyridine chloronium cations","Chemical Science","2023","14","9","2325","2329","10.1039/D2SC06757A","","","0.71073","MoKα","","0.0244","0.0243","","","0.0628","0.0629","","","","","","1.221","","","","has coordinates","281384","2023-03-04","18:01:13",""
"1568412","12.1157","0.0005","6.2539","0.0003","14.6","0.0006","90","","109.833","0.002","90","","1040.63","0.08","298","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Selenanthren","","- C12 H8 Se2 -","- C12 H8 Se2 -","- C48 H32 Se8 -","4","1","","Yang, Zhiqiang; Fu, Zhiyuan; Liu, Haichao; Wu, Min; Li, Nan; Wang, Kai; Zhang, Shi-Tong; Zou, Bo; Yang, Bing","Pressure-induced room-temperature phosphorescence enhancement based on purely organic molecules with a folded geometry.","Chemical science","2023","14","10","2640","2645","10.1039/d3sc00172e","","","0.71073","MoKα","","0.0253","0.0203","","","0.0456","0.0473","","","","","","1.051","","","","has coordinates","282284","2023-04-04","09:54:51",""
"1568413","41.4191","0.0017","6.5104","0.0003","14.0699","0.0006","90","","98.7","0.003","90","","3750.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-nitrobenzyl)-4-(perfluorophenyl)isochromane","","- C22 H14 F5 N O3 -","- C22 H14 F5 N O3 -","- C176 H112 F40 N8 O24 -","8","2","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","1.54178","CuKα","","0.1074","0.0826","","","0.2203","0.243","","","","","","1.032","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568414","7.9798","0.0004","10.8805","0.0005","8.421","0.0004","90","","117.053","0.002","90","","651.15","0.06","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0317","0.0306","","","0.0803","0.0819","","","","","","1.063","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568415","7.9718","0.0003","9.2217","0.0003","11.1636","0.0004","100.875","0.001","90.02","0.001","110.526","0.001","752.8","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(4-nitrobenzyl)-3a,4,5,6-tetrahydro-1H,3H-benzo[de]isochromene","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0417","0.0387","","","0.1058","0.1088","","","","","","1.066","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568416","8.6103","0.0007","7.9713","0.0005","27.483","0.002","90","","91.244","0.003","90","","1885.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3,5-bis(trifluoromethyl)benzyl)-6,7-dimethoxyisochromane","","- C20 H18 F6 O3 -","- C20 H18 F6 O3 -","- C80 H72 F24 O12 -","4","1","","Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph","Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol","Chemical Science","2023","14","11","2983","2989","10.1039/D2SC06692K","","","0.71073","MoKα","","0.0511","0.0441","","","0.115","0.1214","","","","","","1.055","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568417","21.23","0.013","28.36","0.016","16.32","0.01","90","","105.11","0.007","90","","9486","10","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C105 H121 N9 Ni2 O10 -","- C105 H117 N9 Ni2 O10 -","- C420 H468 N36 Ni8 O40 -","4","1","","Yamashita, Ken-Ichi; Takeuchi, Shouichi; Sugiura, Ken-Ichi","Structurally well-defined conjugated <i>meso</i>-aminoporphyrin oligomers analogous to polyanilines.","Chemical science","2023","14","10","2735","2744","10.1039/d2sc06387e","","","0.71073","MoKα","","0.1819","0.1137","","","0.2902","0.352","","","","","","1.064","","","","has coordinates,has disorder","282280","2023-04-04","09:53:47",""
"1568418","23.1585","0.0007","9.2604","0.0003","23.5718","0.0007","90","","114.448","0.002","90","","4601.9","0.3","170","2","170.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H70 Fe N4 -","- C51 H70 Fe N4 -","- C204 H280 Fe4 N16 -","4","0.5","","Xiong, Jin; Liu, Qing; Lavina, Barbara; Hu, Michael Y.; Zhao, Jiyong; Alp, Esen E.; Deng, Liang; Ye, Shengfa; Guo, Yisong","Spin polarization assisted facile C-H activation by an <i>S</i> = 1 iron(iv)-bisimido complex: a comprehensive spectroscopic and theoretical investigation.","Chemical science","2023","14","11","2808","2820","10.1039/d2sc06273a","","","1.34139","GaKα","","0.0487","0.043","","","0.1169","0.1222","","","","","","1.093","","","","has coordinates","282299","2023-04-04","10:02:30",""
"1568419","14.5261","0.0017","4.3104","0.0005","20.361","0.002","90","","102.088","0.005","90","","1246.6","0.2","300.91","","300.91","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","1","","Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Silbernagl, Dorothee; Yasuda, Nobuhiro; Feiler, Torvid; Sturm, Heinz; Emmerling, Franziska","An atomistic mechanism for elasto-plastic bending in molecular crystals.","Chemical science","2023","14","13","3441","3450","10.1039/d2sc06470g","","","0.71073","MoKα","","0.0605","0.0392","","","0.1197","0.1443","","","","","","1.02","","","","has coordinates","282286","2023-04-04","09:55:56",""
"1568420","14.3805","0.0011","4.2807","0.0003","20.0178","0.0016","90","","101.319","0.003","90","","1208.3","0.16","100.91","","100.91","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C52 H40 Cl8 N8 O4 -","4","1","","Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Silbernagl, Dorothee; Yasuda, Nobuhiro; Feiler, Torvid; Sturm, Heinz; Emmerling, Franziska","An atomistic mechanism for elasto-plastic bending in molecular crystals.","Chemical science","2023","14","13","3441","3450","10.1039/d2sc06470g","","","0.71073","MoKα","","0.056","0.0512","","","0.1339","0.147","","","","","","1.112","","","","has coordinates","282286","2023-04-04","09:56:07",""
"1568421","9.9368","0.0002","17.0962","0.0003","17.1478","0.0003","90","","90","","90","","2913.09","0.09","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl3 N3 O5 -","- C31 H26 Cl3 N3 O5 -","- C124 H104 Cl12 N12 O20 -","4","1","","Chen, Pengquan; Lv, Mei-Jun; Cheng, Jun Kee; Xiang, Shao-Hua; Ren, Xiang-Zhong; Zhang, Junmin; Tan, Bin","Enantioselective construction of triaryl-substituted all-carbon quaternary stereocenters via organocatalytic arylation of oxindoles with azonaphthalenes","Chemical Science","2023","14","9","2330","2335","10.1039/D2SC07103G","","x-ray","1.54178","CuKα","","0.0187","0.0184","","","0.0464","0.0465","","","","","","1.056","","","","has coordinates","281391","2023-03-04","18:02:23",""
"1568422","7.4828","0.0003","18.3087","0.0007","18.4701","0.0007","90","","90","","90","","2530.41","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N3 O2 S -","- C27 H24 F3 N3 O2 S -","- C108 H96 F12 N12 O8 S4 -","4","1","","Nilova, Aleksandra; Mannchen, Michael D.; Noel, Abdias N.; Semenova, Evgeniya; Grenning, Alexander J.","Vicinal stereocenters <i>via</i> asymmetric allylic alkylation and Cope rearrangement: a straightforward route to functionally and stereochemically rich heterocycles.","Chemical science","2023","14","10","2755","2762","10.1039/d2sc07021a","","","0.71073","MoKα","","0.0491","0.037","","","0.1009","0.1096","","","","","","1.043","","","","has coordinates,has disorder","282283","2023-04-04","09:54:41",""
"1568423","11.1508","0.0004","6.3344","0.0002","15.0399","0.0005","90","","99.417","0.001","90","","1048.01","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O4 S -","- C23 H24 Cl N O4 S -","- C46 H48 Cl2 N2 O8 S2 -","2","1","","Nilova, Aleksandra; Mannchen, Michael D.; Noel, Abdias N.; Semenova, Evgeniya; Grenning, Alexander J.","Vicinal stereocenters <i>via</i> asymmetric allylic alkylation and Cope rearrangement: a straightforward route to functionally and stereochemically rich heterocycles.","Chemical science","2023","14","10","2755","2762","10.1039/d2sc07021a","","","0.71073","MoKα","","0.0426","0.0345","","","0.0818","0.0849","","","","","","1.074","","","","has coordinates","282283","2023-04-04","09:54:43",""
"1568424","9.0235","0.0003","10.1775","0.0004","11.8976","0.0005","81.443","0.002","73.982","0.002","76.298","0.002","1016.25","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 O4 Pd S2 -","- C20 H22 O4 Pd S2 -","- C40 H44 O8 Pd2 S4 -","2","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0347","0.0265","","","0.0915","0.1067","","","","","","0.883","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568425","10.1765","0.0004","28.3513","0.0011","9.7423","0.0004","90","","106.951","0.001","90","","2688.7","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 O4 P Pd S -","- C30 H29 O4 P Pd S -","- C120 H116 O16 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0585","0.044","","","0.0808","0.0852","","","","","","1.149","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568426","9.7129","0.0004","11.885","0.0004","24.9669","0.0009","90","","90","","90","","2882.12","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 O2 P Pd S -","- C34 H31 O2 P Pd S -","- C136 H124 O8 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0173","0.0163","","","0.0389","0.0392","","","","","","1.086","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568427","9.6976","0.0005","11.8942","0.0007","24.9749","0.0015","90","","90","","90","","2880.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 O2 P Pd S -","- C34 H31 O2 P Pd S -","- C136 H124 O8 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0164","0.0155","","","0.038","0.0385","","","","","","1.085","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568428","16.0038","0.0001","13.5032","0.0001","25.4153","0.0001","90","","97.519","0.001","90","","5445.08","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H83 Al N4 Si2 -","- C57 H83 Al N4 Si2 -","- C228 H332 Al4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0452","0.0395","","","0.1056","0.1104","","","","","","1.012","","","","has coordinates","282290","2023-04-04","09:59:14",""
"1568429","21.4197","0.0001","13.5245","0.0001","19.6839","0.0001","90","","103.151","0.001","90","","5552.7","0.06","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H88 Al Cu N4 Si2 -","- C53 H88 Al Cu N4 Si2 -","- C212 H352 Al4 Cu4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0278","0.0273","","","0.0729","0.0734","","","","","","1.023","","","","has coordinates,has disorder","282290","2023-04-04","09:59:17",""
"1568430","12.225","0.0002","12.4368","0.0002","27.9562","0.0004","81.885","0.001","86.337","0.001","74.292","0.002","4049.28","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H122 Al Cu N4 Si2 -","- C86 H122 Al Cu N4 Si2 -","- C172 H244 Al2 Cu2 N8 Si4 -","2","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0413","0.0358","","","0.0904","0.0947","","","","","","1.025","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568431","15.0696","0.0004","16.5798","0.0005","20.4317","0.0004","90","","91.457","0.002","90","","5103.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H80 Al Cu N4 Si3 -","- C46 H80 Al Cu N4 Si3 -","- C184 H320 Al4 Cu4 N16 Si12 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.071","0.048","","","0.1087","0.1207","","","","","","1.018","","","","has coordinates,has disorder","282290","2023-04-04","09:59:18",""
"1568432","16.2074","0.0003","12.7848","0.0002","24.4265","0.0005","90","","100.576","0.002","90","","4975.39","0.16","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H80 Al Cu N4 Si2 -","- C47 H80 Al Cu N4 Si2 -","- C188 H320 Al4 Cu4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","0.71073","MoKα","","0.0537","0.0368","","","0.0853","0.0928","","","","","","1.03","","","","has coordinates","301209","2025-07-10","11:18:51",""
"1568433","15.0236","0.0001","21.9618","0.0001","21.1294","0.0002","90","","90","","90","","6971.55","0.09","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C75 H104 Al Cu N4 Si2 -","- C75 H104 Al Cu N4 Si2 -","- C300 H416 Al4 Cu4 N16 Si8 -","4","0.5","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0424","0.0351","","","0.0917","0.0965","","","","","","1.024","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568434","13.2732","0.0002","17.1411","0.0003","34.2337","0.0006","97.978","0.001","98.341","0.001","96.908","0.002","7553","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C160 H220 Al2 Cu4 N6 Si4 -","- C160 H220 Al2 Cu4 N6 Si4 -","- C320 H440 Al4 Cu8 N12 Si8 -","2","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","0.71073","MoKα","","0.0612","0.0425","","","0.0943","0.1016","","","","","","1.05","","","","has coordinates,has disorder","282290","2023-04-04","09:59:18",""
"1568435","20.8885","0.0002","13.8728","0.0001","19.6118","0.0002","90","","101.347","0.001","90","","5572.06","0.09","150","0.1","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C57 H80 Al Cu N4 Si2 -","- C57 H80 Al Cu N4 Si2 -","- C228 H320 Al4 Cu4 N16 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.039","0.0371","","","0.0903","0.0921","","","","","","1.031","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568436","12.40965","0.00005","23.21981","0.0001","25.09012","0.00011","90","","92.1704","0.0004","90","","7224.52","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H112 Al Cu N6 Si2 -","- C74 H112 Al Cu N6 Si2 -","- C296 H448 Al4 Cu4 N24 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0346","0.031","","","0.0829","0.0857","","","","","","1.031","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568437","13.5126","0.0001","23.3252","0.0001","23.6673","0.0002","90","","105.075","0.001","90","","7202.84","0.09","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H114 Al Cu N6 Si2 -","- C74 H114 Al Cu N6 Si2 -","- C296 H456 Al4 Cu4 N24 Si8 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","1.54184","CuKα","","0.0495","0.0432","","","0.1129","0.1185","","","","","","1.022","","","","has coordinates","282290","2023-04-04","09:59:18",""
"1568438","12.6138","0.0003","20.7585","0.0004","22.1325","0.0004","90","","93.689","0.002","90","","5783.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H88 Al Cu N4 Si4 -","- C51 H88 Al Cu N4 Si4 -","- C204 H352 Al4 Cu4 N16 Si16 -","4","1","","Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.","Chemical science","2023","14","11","2866","2876","10.1039/d3sc00240c","","x-ray","0.71073","MoKα","","0.0509","0.0348","","","0.0844","0.092","","","","","","1.039","","","","has coordinates,has disorder","282290","2023-04-04","09:59:18",""
"1568439","10.1214","0.0002","22.1032","0.0005","16.8012","0.0004","90","","106.045","0.001","90","","3612.27","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Ga P -","- C40 H52 Ga P -","- C160 H208 Ga4 P4 -","4","1","","Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C","Photochemical formation and reversible base-induced cleavage of a phosphagallene.","Chemical science","2023","14","11","3018","3023","10.1039/d2sc06292e","","","1.54178","CuKα","","0.0416","0.0344","","","0.0847","0.0902","","","","","","1.028","","","","has coordinates","282291","2023-04-04","09:59:50",""
"1568440","10.6093","0.0002","12.7651","0.0002","20.7583","0.0003","80.862","0.001","81.858","0.001","65.926","0.001","2524.94","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H64 Ga P -","- C46 H64 Ga P -","- C92 H128 Ga2 P2 -","2","1","","Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C","Photochemical formation and reversible base-induced cleavage of a phosphagallene.","Chemical science","2023","14","11","3018","3023","10.1039/d2sc06292e","","","1.54178","CuKα","","0.0424","0.0391","","","0.1078","0.1109","","","","","","1.041","","","","has coordinates,has disorder","282291","2023-04-04","09:59:53",""
"1568441","11.9426","0.001","18.1472","0.0016","12.6846","0.001","90","","98.094","0.003","90","","2721.7","0.4","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 O P -","- C31 H37 O P -","- C124 H148 O4 P4 -","4","1","","Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C","Photochemical formation and reversible base-induced cleavage of a phosphagallene.","Chemical science","2023","14","11","3018","3023","10.1039/d2sc06292e","","","1.54178","CuKα","","0.0357","0.0342","","","0.0893","0.0908","","","","","","1.039","","","","has coordinates","282291","2023-04-04","10:00:03",""
"1568442","9.4139","0.0004","9.7021","0.0004","10.4201","0.0004","63.457","0.001","80.694","0.002","85.381","0.001","840.16","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Br N P -","- C19 H19 Br N P -","- C38 H38 Br2 N2 P2 -","2","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP<sup>+</sup> ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.1153","0.0496","","","0.0857","0.1048","","","","","","1.016","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568443","10.6424","0.0012","12.4166","0.0015","14.4706","0.0017","90","","93.167","0.004","90","","1909.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br P -","- C21 H22 Br P -","- C84 H88 Br4 P4 -","4","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP<sup>+</sup> ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.1175","0.0504","","","0.0727","0.0874","","","","","","0.998","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568444","13.9907","0.0003","14.6428","0.0004","21.7567","0.0006","90","","90","","90","","4457.1","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H29 Br N O P -","- C23 H29 Br N O P -","- C184 H232 Br8 N8 O8 P8 -","8","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP<sup>+</sup> ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.0807","0.0425","","","0.0821","0.0954","","","","","","1.036","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568445","10.3306","0.0009","10.6126","0.0009","13.3397","0.0011","82.341","0.003","72.934","0.003","82.482","0.003","1379.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30.5 Br N O0.25 P2 -","- C32 H30.5 Br N O0.25 P2 -","- C64 H61 Br2 N2 O0.5 P4 -","2","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP<sup>+</sup> ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.1151","0.0528","","","0.1044","0.1276","","","","","","1.017","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568446","8.3434","0.0002","9.5869","0.0003","25.257","0.0006","90","","90","","90","","2020.24","0.09","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Liu, Xin-Lian; Lin, Han-Ze; Tan, Lu-Qi; Peng, Jin-Bao","Palladium- and Brønsted acid-catalyzed enantio-, site- and E/Z-selective addition of alkylidenecyclopropanes with imines","Chemical Science","2023","14","9","2348","2352","10.1039/D2SC05674G","","x-ray","1.54184","CuKα","","0.0387","0.0376","","","0.0931","0.0937","","","","","","1.071","","","","has coordinates","281386","2023-03-04","18:01:40",""
"1568447","11.1005","0.0004","11.3249","0.0004","18.9146","0.0004","103.931","0.002","93.575","0.002","116.835","0.004","2018.76","0.14","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 Fe2 N4 -","- C44 H56 Fe2 N4 -","- C88 H112 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","1.54184","CuKα","","0.0909","0.0708","","","0.2625","0.2948","","","","","","1.031","","","","has coordinates","281385","2023-03-04","18:01:32",""
"1568448","11.9085","0.0004","11.0443","0.0004","17.499","0.0007","90","","94.175","0.002","90","","2295.38","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H64 Fe2 N4 -","- C51 H64 Fe2 N4 -","- C102 H128 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.7749","Synchrotron","","0.0338","0.0291","","","0.0658","0.0678","","","","","","1.04","","","","has coordinates","281385","2023-03-04","18:01:32",""
"1568449","11.8009","0.0005","10.9639","0.0004","17.4087","0.0007","90","","94.329","0.004","90","","2245.98","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H62.15 D1.85 Fe2 N4 -","- C51 H62.15 D1.85 Fe2 N4 -","- C102 H124.3 D3.7 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.6","neutrons","","0.0689","0.0642","","","0.1228","0.1261","","","","","","1.042","","","","has coordinates,has disorder","281385","2023-03-04","18:01:32",""
"1568450","11.8026","0.0003","10.9628","0.0003","17.4178","0.0005","90","","94.36","0.003","90","","2247.16","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H64 Fe2 N4 -","- C51 H64 Fe2 N4 -","- C102 H128 Fe4 N8 -","2","1","","McWilliams, Sean F.; Mercado, Brandon Q.; MacLeod, K. Cory; Fataftah, Majed S.; Tarrago, Maxime; Wang, Xiaoping; Bill, Eckhard; Ye, Shengfa; Holland, Patrick L.","Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state","Chemical Science","2023","14","9","2303","2312","10.1039/D2SC06412J","","","0.6","neutrons","","0.0633","0.0568","","","0.1134","0.1175","","","","","","1.025","","","","has coordinates","281385","2023-03-04","18:01:32",""
"1568451","9.1643","0.0007","9.1814","0.0007","10.4783","0.0009","90","","115.381","0.006","90","","796.56","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-hydroxy-2-methyl-1H-quinazolin-4-one","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C36 H32 N8 O8 -","4","1","","Koleda, Olesja; Prenzel, Tobias; Winter, Johannes; Hirohata, Tomoki; de Jesús Gálvez-Vázquez, María; Schollmeyer, Dieter; Inagi, Shinsuke; Suna, Edgars; Waldvogel, Siegfried R.","Simple and scalable electrosynthesis of 1H-1-hydroxy-quinazolin-4-ones","Chemical Science","2023","14","10","2669","2675","10.1039/D3SC00266G","","","0.71073","MoKα","","0.0961","0.0645","","","0.1532","0.1769","","","","","","1.123","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568452","9.3198","0.0003","11.1833","0.0004","26.6506","0.0007","90","","99.812","0.001","90","","2737.06","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 N2 O -","- C35 H34 N2 O -","- C140 H136 N8 O4 -","4","1","","Tan, Guangying; Paulus, Fritz; Petti, Alessia; Wiethoff, Maxim-Aleksa; Lauer, Anna; Daniliuc, Constantin; Glorius, Frank","Metal-free photosensitized radical relay 1,4-carboimination across two distinct olefins","Chemical Science","2023","14","9","2447","2454","10.1039/D2SC06497A","","single crystal","0.71073","MoKα","","0.057","0.0423","","","0.0926","0.1006","","","","","","1.059","","","","has coordinates","281388","2023-03-04","18:01:57",""
"1568453","9.1685","0.0004","7.7161","0.0003","16.7661","0.0006","90","","99.439","0.004","90","","1170.06","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 F3 I3 N -","- C8 H2 F3 I3 N -","- C32 H8 F12 I12 N4 -","4","1","","Kumar, Lavanya; Leko, Katarina; Nemec, Vinko; Trzybiński, Damian; Bregović, Nikola; Cinčić, Dominik; Arhangelskis, Mihails","Computational evaluation of halogen-bonded cocrystals enables prediction of their mechanochemical interconversion reactions","Chemical Science","2023","14","12","3140","3146","10.1039/D2SC06770F","","x-ray","0.71073","MoKα","","0.0484","0.0463","","","0.1135","0.1156","","","","","","1.159","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568454","14.3154","0.0003","26.4615","0.0006","6.2605","0.0002","90","","90","","90","","2371.52","0.11","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C25 H28 B F4 N O2 -","- C25 H28 B F4 N O2 -","- C100 H112 B4 F16 N4 O8 -","4","1","","Wu, Fu-Peng; Gu, Xing-Wei; Geng, Hui-Qing; Wu, Xiao-Feng","Copper-catalyzed defluorinative arylboration of vinylarenes with polyfluoroarenes","Chemical Science","2023","14","9","2342","2347","10.1039/D2SC06472C","","","1.54178","CuKα","","0.0399","0.0395","","","0.1032","0.1038","","","","","","1.066","","","","has coordinates,has disorder","281387","2023-03-04","18:01:48",""
"1568455","8.6133","0.0004","14.6051","0.0006","15.5136","0.0008","62.663","0.002","79.227","0.002","82.934","0.002","1701.53","0.14","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C33 H26 Au F7 N3 O4 P S2 -","- C33 H26 Au F7 N3 O4 P S2 -","- C66 H52 Au2 F14 N6 O8 P2 S4 -","2","1","","Dhara, Ayan; Fadler, Rachel E.; Chen, Yusheng; Köttner, Laura A; Van Craen, David; Carta, Veronica; Flood, Amar H.","Orthogonal, modular anion-cation and cation-anion self-assembly using pre-programmed anion binding sites.","Chemical science","2023","14","10","2585","2595","10.1039/d2sc05121d","","","0.71073","MoKα","","0.0229","0.0213","","","0.0506","0.0514","","","","","","1.03","","","","has coordinates,has disorder","283150","2023-05-05","00:54:22",""
"1568468","8.3546","0.0006","10.7094","0.0008","17.5246","0.0012","90","","97.648","0.001","90","","1554.03","0.19","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Al N2 -","- C16 H21 Al N2 -","- C64 H84 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0701","0.0461","","","0.1184","0.1302","","","","","","1.026","","","","has coordinates","281605","2023-03-04","18:46:44",""
"1568469","8.8305","0.0014","12.0231","0.0019","16.87","0.003","90","","90","","90","","1791.1","0.5","298.15","","298.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Al N2 -","- C18 H25 Al N2 -","- C72 H100 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.1579","0.0567","","","0.1001","0.1251","","","","","","1.002","","","","has coordinates","281605","2023-03-04","18:46:54",""
"1568470","8.6071","0.0014","16.636","0.003","15.272","0.003","90","","91.136","0.006","90","","2186.3","0.7","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Al N2 -","- C22 H33 Al N2 -","- C88 H132 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.1409","0.0722","","","0.173","0.2165","","","","","","1.055","","","","has coordinates","281605","2023-03-04","18:46:54",""
"1568471","14.4175","0.0013","8.7391","0.0008","14.9864","0.0013","90","","110.192","0.001","90","","1772.2","0.3","298.15","","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Al F5 N2 -","- C16 H16 Al F5 N2 -","- C64 H64 Al4 F20 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0835","0.0518","","","0.1396","0.1584","","","","","","1.038","","","","has coordinates","281605","2023-03-04","18:46:54",""
"1568472","8.0744","0.0004","12.6305","0.0008","18.8429","0.0011","90","","90","","90","","1921.67","0.19","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Al N2 -","- C19 H27 Al N2 -","- C76 H108 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0853","0.0504","","","0.1168","0.1332","","","","","","1.03","","","","has coordinates","281605","2023-03-04","18:46:54",""
"1568473","8.5573","0.0006","8.8128","0.0006","13.3517","0.0009","87.309","0.001","77.928","0.001","89.453","0.001","983.55","0.12","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Al F6 N2 -","- C18 H19 Al F6 N2 -","- C36 H38 Al2 F12 N4 -","2","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0801","0.0503","","","0.128","0.1431","","","","","","1.034","","","","has coordinates,has disorder","281605","2023-03-04","18:46:54",""
"1568474","5.177","0.0004","10.4037","0.0011","15.1011","0.0011","100.491","0.004","97.244","0.004","96.51","0.004","785.58","0.12","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 N4 O4 S2 -","- C30 H42 N4 O4 S2 -","- C30 H42 N4 O4 S2 -","1","0.5","","Yang, Wei; Zhang, Dayong; Yu, Junsheng; Zhang, Qing","Carboxamide and carbamate substituted π-conjugated polymers: the effect of hydrogen bonding on photovoltaic properties","Polymer Chemistry","2023","14","7","839","847","10.1039/D2PY01329K","","","1.54178","CuKα","","0.1086","0.0978","","","0.3007","0.3232","","","","","","1.356","","","","has coordinates","281040","2023-02-20","13:17:37",""
"1568475","5.1062","0.0002","15.6416","0.0006","18.7651","0.0007","82.251","0.002","89.811","0.002","86.607","0.002","1482.45","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 N4 O2 S2 -","- C30 H41 N4 O2 S2 -","- C60 H82 N8 O4 S4 -","2","1","","Yang, Wei; Zhang, Dayong; Yu, Junsheng; Zhang, Qing","Carboxamide and carbamate substituted π-conjugated polymers: the effect of hydrogen bonding on photovoltaic properties","Polymer Chemistry","2023","14","7","839","847","10.1039/D2PY01329K","","","1.54178","CuKα","","0.1537","0.1062","","","0.2796","0.3196","","","","","","1.022","","","","has coordinates","301209","2025-07-10","11:18:51",""
"1568476","9.8279","0.0007","9.8279","0.0007","8.0179","0.0009","90","","90","","120","","670.68","0.1","100","2","99.97","0.12","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- C36 H30 B P -","- C36 H30 B P -","- C36 H30 B P -","1","0.0833333","","Zapf, Ludwig; Riethmann, Melanie; Föhrenbacher, Steffen A.; Finze, Maik; Radius, Udo","An easy-to-perform evaluation of steric properties of Lewis acids","Chemical Science","2023","14","9","2275","2288","10.1039/D3SC00037K","","x-ray","1.54184","CuKα","","0.0693","0.0536","","","0.1434","0.1562","","","","","","1.107","","","","has coordinates,has disorder","281389","2023-03-04","18:02:05",""
"1568477","10.4114","0.0014","8.5418","0.0011","17.017","0.002","90","","92.924","0.004","90","","1511.4","0.3","150","0.1","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N5 Pd -","- C17 H15 N5 Pd -","- C68 H60 N20 Pd4 -","4","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71069","MoKα","","0.0451","0.0274","","","0.0621","0.0682","","","","","","1.026","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568478","14.758","0.004","17.469","0.005","20.212","0.006","101.902","0.007","102.431","0.007","113.691","0.007","4403","2","149.99","","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C98 H138 N10 O6 Pd2 Yb2 -","- C82 H106 N10 O2 Pd2 Yb2 -","- C164 H212 N20 O4 Pd4 Yb4 -","2","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71073","MoKα","","0.153","0.0674","","","0.1502","0.1898","","","","","","0.999","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568479","14.7945","0.0004","34.6792","0.0012","17.851","0.0005","90","","111.427","0.002","90","","8525.6","0.5","149.99","","149.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C95 H114 N10 Pd2 Yb2 -","- C95 H114 N10 Pd2 Yb2 -","- C380 H456 N40 Pd8 Yb8 -","4","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71073","MoKα","","0.0902","0.0515","","","0.1148","0.1371","","","","","","1.02","","","","has coordinates,has disorder","282621","2023-04-13","12:20:30",""
"1568480","8.508","0.0009","16.1094","0.0016","21.445","0.002","90","","91.493","0.002","90","","2938.2","0.5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 Pd Yb -","- C32 H51 Pd Yb -","- C128 H204 Pd4 Yb4 -","4","1","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71073","MoKα","","0.0386","0.0275","","","0.0588","0.0645","","","","","","1.106","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568481","15.7166","0.0004","13.6208","0.0003","26.5397","0.0006","90","","91.637","0.001","90","","5679.1","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H84 N2 Pd Yb2 -","- C64 H84 N2 Pd Yb2 -","- C256 H336 N8 Pd4 Yb8 -","4","0.5","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71069","MoKα","","0.0324","0.0294","","","0.0709","0.0725","","","","","","1.076","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568482","15.7006","0.0011","13.8198","0.0008","26.6978","0.0017","90","","91.602","0.003","90","","5790.6","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H84 N2 Pd Sm2 -","- C64 H84 N2 Pd Sm2 -","- C256 H336 N8 Pd4 Sm8 -","4","0.5","","Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory","Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs","Chemical Science","2023","14","10","2676","2685","10.1039/D2SC06933D","","","0.71069","MoKα","","0.0594","0.0378","","","0.0685","0.0739","","","","","","0.891","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568485","16.1038","0.0017","24.54","0.003","26.56","0.002","90","","95.069","0.004","90","","10455.1","1.9","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C124 H102 O2 -","- C124 H102 O2 -","- C496 H408 O8 -","4","0.5","","Li, Shengtao; Li, Ranran; Zhang, Yi-Kang; Wang, Shutao; Ma, Bin; Zhang, Bin; An, Peng","BINOL-like atropisomeric chiral nanographene.","Chemical science","2023","14","12","3286","3292","10.1039/d2sc06244e","","","0.71073","MoKα","","0.1946","0.1053","","","0.3087","0.3512","","","","","","1.045","","","","has coordinates","282303","2023-04-04","10:04:12",""
"1568486","22.0386","0.0015","13.2446","0.0003","11.5475","0.0008","90","","137.586","0.013","90","","2273.4","0.6","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H31 N O6 -","- C24 H31 N O6 -","- C96 H124 N4 O24 -","4","1","","Li, Longbo; Matsuo, Bianca; Levitre, Guillaume; McClain, Edward J.; Voight, Eric A.; Crane, Erika A.; Molander, Gary A.","Dearomative intermolecular [2 + 2] photocycloaddition for construction of C(sp<sup>3</sup>)-rich heterospirocycles on-DNA.","Chemical science","2023","14","10","2713","2720","10.1039/d3sc00144j","","x-ray","1.54184","CuKα","","0.0415","0.0392","","","0.1042","0.1069","","","","","","1.079","","","","has coordinates","282282","2023-04-04","09:54:25",""
"1568487","11.6897","0.0006","8.7462","0.0004","27.9426","0.0014","90","","97.984","0.003","90","","2829.2","0.2","297","2","297","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H25 Cl N4 O3 S -","- C31 H25 Cl N4 O3 S -","- C124 H100 Cl4 N16 O12 S4 -","4","2","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","","1.54178","CuKα","","0.0606","0.0455","","","0.1071","0.1176","","","","","","1.096","","","","has coordinates","282289","2023-04-04","09:57:27",""
"1568488","8.30066","0.00014","8.18447","0.00013","16.4485","0.0003","90","","104.387","0.0018","90","","1082.41","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C54 H42 N6 O4 -","2","1","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","x-ray","1.54184","CuKα","","0.0338","0.0327","","","0.0857","0.0865","","","","","","1.09","","","","has coordinates","282289","2023-04-04","09:57:32",""
"1568489","9.7606","0.0001","10.331","0.0001","21.9651","0.0003","90","","90","","90","","2214.89","0.04","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N3 O2 -","- C27 H25 N3 O2 -","- C108 H100 N12 O8 -","4","1","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","x-ray","1.54184","CuKα","","0.0344","0.0309","","","0.0739","0.0755","","","","","","1.04","","","","has coordinates","282289","2023-04-04","09:57:37",""
"1568490","12.7468","0.0003","13.2446","0.0003","5.6541","0.0001","90","","95.839","0.0016","90","","949.61","0.04","2","","2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0348","0.0331","","","0.0796","0.0805","","","","2.5","2.5","2.49","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568491","12.8159","0.0003","13.3648","0.0003","5.6774","0.0001","90","","95.999","0.002","90","","967.11","0.04","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","","1.54184","CuKα","","0.0633","0.0628","","","0.1584","0.1601","","","","","","1.052","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568492","12.5261","0.0005","13.0853","0.001","5.5409","0.0017","90","","96.56","0.006","90","","902.3","0.3","15","","15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium nickel trithiocyanate","","- C6 Cs2 N6 Ni2 S6 -","- C6 Cs2 N6 Ni2 S6 -","- C12 Cs4 N12 Ni4 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.45678","neutron","","0.1483","0.1139","","","0.1172","0.1193","","","","4.55","4.55","3.72","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568493","12.7661","0.0003","13.2731","0.0004","5.6588","0.0002","90","","95.9037","0.0017","90","","953.77","0.05","50","","50","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0355","0.0347","","","0.0838","0.0848","","","","1.96","1.96","1.96","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568494","12.8136","0.0005","13.4916","0.0007","5.6692","0.0002","90","","96.346","0.002","90","","974.06","0.07","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0427","0.0386","","","0.0726","0.0761","","","","1.71","1.71","1.7","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568495","12.6103","0.0001","13.2395","0.0002","5.5786","0.0001","90","","96.445","0.001","90","","925.48","0.02","119.99","0.19","119.99","0.19","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium cobalt trithiocyanate","","- C6 Co2 Cs2 N6 S6 -","- C6 Co2 Cs2 N6 S6 -","- C12 Co4 Cs4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","","1.54184","CuKα","","0.0192","0.0187","","","0.0476","0.0479","","","","","","1.043","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568496","12.7463","0.0003","13.2447","0.0003","5.654","0.0001","90","","95.8382","0.0016","90","","949.56","0.04","13","","13","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0351","0.035","","","0.0967","0.0968","","","","3.61","3.61","3.6","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568497","12.7469","0.0003","13.2457","0.0003","5.6542","0.0001","90","","95.8446","0.0016","90","","949.7","0.04","20","","20","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Caesium manganese trithiocyanate","","- C6 Cs2 Mn2 N6 S6 -","- C6 Cs2 Mn2 N6 S6 -","- C12 Cs4 Mn4 N12 S12 -","2","0.5","","Geers, Madeleine; Lee, Jie Yie; Ling, Sanliang; Fabelo, Oscar; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Non-collinear magnetism in the post-perovskite thiocyanate frameworks CsM(NCS)<sub>3</sub>.","Chemical science","2023","14","13","3531","3540","10.1039/d2sc06861c","","neutron","1.4551","neutron","","0.0367","0.0365","","","0.1081","0.1084","","","","2.97","2.97","2.97","","","","has coordinates","283170","2023-05-05","01:06:21",""
"1568498","27.4526","0.0015","6.8462","0.0004","18.7535","0.0012","90","","90","","90","","3524.6","0.4","184","2","184","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H33 N3 O -","- C33 H34 N3 O -","- C132 H136 N12 O4 -","4","0.5","","Miao, Fang; Ji, Yu; Han, Bo; Quintero, Sergio Moles; Chen, Hanjiao; Xue, Guodong; Cai, Lulu; Casado, Juan; Zheng, Yonghao","Asymmetric and zwitterionic Blatter diradicals.","Chemical science","2023","14","10","2698","2705","10.1039/d3sc00367a","","","1.54178","CuKα","","0.0795","0.0558","","","0.1653","0.1828","","","","","","1.069","","","","has coordinates","282278","2023-04-04","09:53:01",""
"1568499","15.527","0.003","10.1852","0.0018","18.02","0.003","90","","108.352","0.007","90","","2704.8","0.8","184","2","184","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N3 O -","- C33 H33 N3 O -","- C132 H132 N12 O4 -","4","1","","Miao, Fang; Ji, Yu; Han, Bo; Quintero, Sergio Moles; Chen, Hanjiao; Xue, Guodong; Cai, Lulu; Casado, Juan; Zheng, Yonghao","Asymmetric and zwitterionic Blatter diradicals.","Chemical science","2023","14","10","2698","2705","10.1039/d3sc00367a","","","1.54178","CuKα","","0.0693","0.0487","","","0.1076","0.1212","","","","","","1.045","","","","has coordinates","282278","2023-04-04","09:53:01",""
"1568500","8.0803","0.0008","17.2484","0.0018","16.5592","0.0014","90","","90.883","0.004","90","","2307.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N O4 S2 -","- C25 H22 N O4 S2 -","- C100 H88 N4 O16 S8 -","4","1","","Zhang, Yan; Cai, Zhenzhi; Zhao, Chunhang; Zheng, Hanliang; Ackermann, Lutz","Electrosynthesis of bridged or fused sulfonamides through complex radical cascade reactions: divergence in medium-sized ring formation.","Chemical science","2023","14","13","3541","3547","10.1039/d2sc07045f","","","0.71073","MoKα","","0.114","0.072","","","0.1858","0.2432","","","","","","1.159","","","","has coordinates","282288","2023-04-04","09:56:43",""
"1568501","23.4887","0.0017","5.6869","0.0004","14.3647","0.001","90","","107.81","","90","","1826.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O4 S2 -","- C19 H19 N O4 S2 -","- C76 H76 N4 O16 S8 -","4","1","","Zhang, Yan; Cai, Zhenzhi; Zhao, Chunhang; Zheng, Hanliang; Ackermann, Lutz","Electrosynthesis of bridged or fused sulfonamides through complex radical cascade reactions: divergence in medium-sized ring formation.","Chemical science","2023","14","13","3541","3547","10.1039/d2sc07045f","","","0.71073","MoKα","","0.1097","0.0601","","","0.1327","0.1595","","","","","","1.008","","","","has coordinates","282288","2023-04-04","09:56:44",""
"1568502","14.5275","0.0002","8.9371","0.0001","31.1191","0.0005","90","","102.802","0.002","90","","3939.87","0.1","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49 H43 N7 -","- C49 H43 N7 -","- C196 H172 N28 -","4","1","","Tripathi, Shivani; Halder, Sayan; Prusti, Banchhanidhi; Chakraborty, Chanchal; Chakravarty, Manab","Flexibility-driven 1D-structural preference in a bis-terpyridine-Fe(ii)-metallo-supramolecular polymer possessing potential tricolor electrochromism","Polymer Chemistry","2023","14","12","1359","1368","10.1039/D2PY01557A","","x-ray","1.54184","CuKα","","0.0558","0.0488","","","0.1338","0.1386","","","","","","1.1","","","","has coordinates","282346","2023-04-04","10:22:06",""
"1568503","13.2016","0.0016","27.457","0.004","18.236","0.002","90","","105.503","0.013","90","","6369.6","1.5","120","2","393.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.25 H45.25 N14.75 O22.75 V6 Zn -","- C39.25 H45.25 N14.75 O22.75 V6 Zn -","- C157 H181 N59 O91 V24 Zn4 -","4","1","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","","0.71073","MoKα","","0.2169","0.1233","","","0.2764","0.3306","","","","","","0.992","","","","has coordinates","283189","2023-05-05","01:13:12",""
"1568504","9.8603","0.0003","12.1228","0.0004","17.2505","0.0004","79.422","0.002","80.163","0.002","76.369","0.003","1952.25","0.1","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H64 Co2 N16 O21 V6 -","- C60 H64 Co2 N16 O21 V6 -","- C60 H64 Co2 N16 O21 V6 -","1","0.5","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","x-ray","0.71073","MoKα","","0.1093","0.0729","","","0.2192","0.2514","","","","","","1.059","","","","has coordinates","283189","2023-05-05","01:13:12",""
"1568505","13.0369","0.0018","27.261","0.003","18.467","0.003","90","","105.569","0.015","90","","6322.3","1.6","119","1","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H47 Co N12 O25 V6 Zn -","- C42 H39 Co N12 O23 V6 Zn -","- C168 H156 Co4 N48 O92 V24 Zn4 -","4","1","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","","0.71073","MoKα","","0.195","0.1281","","","0.3164","0.3634","","","","","","1.098","","","","has coordinates","283189","2023-05-05","01:13:12",""
"1568506","17.1948","0.0003","15.4967","0.0002","18.288","0.0004","90","","116.713","0.003","90","","4352.96","0.18","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H120 N16 O23 V6 -","- C72 H120 N16 O23 V6 -","- C144 H240 N32 O46 V12 -","2","0.5","","Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio","Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.","Chemical science","2023","14","11","3048","3055","10.1039/d2sc05800f","","","0.71073","MoKα","","0.0722","0.0492","","","0.1241","0.1391","","","","","","1.049","","","","has coordinates","283189","2023-05-05","01:13:12",""
"1568507","10.7675","0.0003","17.3155","0.0004","17.5438","0.0005","90","","90","","90","","3270.95","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 O2 U -","- C36 H53 O2 U -","- C144 H212 O8 U4 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.0146","0.014","","","0.033","0.0332","","","","","","1.036","","","","has coordinates","281098","2023-02-23","07:53:33",""
"1568508","9.4109","0.0016","10.8091","0.0017","14.131","0.002","94.671","0.005","103.949","0.005","92.409","0.006","1387.6","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C59.95 H82 I0.03 O3.95 U2 -","- C59.894 H82 I0.0528 O3.894 U2 -","- C59.894 H82 I0.0528 O3.894 U2 -","1","0.5","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0277","0.0225","","","0.043","0.0444","","","","","","1.097","","","","has coordinates,has disorder","281098","2023-02-23","07:53:43",""
"1568509","17.9293","0.0018","10.2778","0.001","19.647","0.002","90","","101.133","0.0017","90","","3552.3","0.6","220","","220","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H96 O6 U2 -","- C86 H96 O6 U2 -","- C172 H192 O12 U4 -","2","0.5","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0579","0.0315","","","0.0536","0.0587","","","","","","0.968","","","","has coordinates","281098","2023-02-23","07:53:55",""
"1568510","13.266","0.004","16.193","0.005","15.544","0.005","90","","97.637","0.004","90","","3309.5","1.8","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 O2 U -","- C38 H52 O2 U -","- C152 H208 O8 U4 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0547","0.0333","","","0.0638","0.073","","","","","","1.067","","","","has coordinates","281098","2023-02-23","07:53:56",""
"1568511","10.5339","0.0009","26.165","0.002","21.8935","0.0018","90","","90.283","0.002","90","","6034.2","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H94 O5 U2 -","- C66 H94 O5 U2 -","- C264 H376 O20 U8 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","0.71073","MoKα","","0.0792","0.046","","","0.0865","0.0967","","","","","","1.052","","","","has coordinates,has disorder","281098","2023-02-23","07:53:57",""
"1568512","56.6846","0.0017","56.6846","0.0017","10.2786","0.0003","90","","90","","120","","28601.9","1.5","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C70.5 H94 O6 S U2 -","- C60 H82 O6 S U2 -","- C1080 H1476 O108 S18 U36 -","18","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.0592","0.0419","","","0.0972","0.1058","","","","","","1.019","","","","has coordinates,has disorder","281098","2023-02-23","07:53:57",""
"1568513","43.0997","0.0015","14.4756","0.0006","20.4007","0.0007","90","","100.911","0.003","90","","12497.8","0.8","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C69.5 H90 O7 U2 -","- C62 H82 O7 U2 -","- C496 H656 O56 U16 -","8","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.1423","0.1225","","","0.2819","0.2921","","","","","","1.18","","","","has coordinates,has disorder","281098","2023-02-23","07:53:59",""
"1568514","13.5817","0.0008","14.3505","0.0006","13.9019","0.0008","90","","116.465","0.004","90","","2425.6","0.2","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H78 N2 O3 Sm -","- C55 H78 N2 O3 Sm -","- C110 H156 N4 O6 Sm2 -","2","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.079","0.0438","","","0.0888","0.1317","","","","","","1.239","","","","has coordinates,has disorder","281099","2023-02-23","07:57:44",""
"1568515","18.5124","0.0014","15.2519","0.0011","35.298","0.003","90","","90","","90","","9966.4","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H78 N2 O3 Yb -","- C55 H78 N2 O3 Yb -","- C440 H624 N16 O24 Yb8 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.1134","0.0647","","","0.133","0.1534","","","","","","1.078","","","","has coordinates,has disorder","281099","2023-02-23","07:57:52",""
"1568516","13.749","0.0009","14.0841","0.0006","26.9502","0.0017","90","","98.698","0.005","90","","5158.7","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 B N2 O3 Y -","- C55 H82 B N2 O3 Y -","- C220 H328 B4 N8 O12 Y4 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.0859","0.0526","","","0.1193","0.1378","","","","","","1.014","","","","has coordinates","281099","2023-02-23","07:57:56",""
"1568517","13.8154","0.0004","14.2166","0.0003","26.9732","0.0007","90","","99.004","0.002","90","","5232.5","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 B N2 O3 Sm -","- C55 H82 B N2 O3 Sm -","- C220 H328 B4 N8 O12 Sm4 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.0312","0.0242","","","0.0591","0.0617","","","","","","1.038","","","","has coordinates","281099","2023-02-23","07:58:04",""
"1568518","32.7745","0.0007","12.3366","0.0003","14.1237","0.0005","90","","90","","90","","5710.6","0.3","100","","100","","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C117 H164 N4 O6 P4 Sm2 -","- C117 H164 N4 O6 P4 Sm2 -","- C234 H328 N8 O12 P8 Sm4 -","2","0.25","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.0962","0.0545","","","0.1387","0.1729","","","","","","1.094","","","","has coordinates,has disorder","281099","2023-02-23","07:58:07",""
"1568519","32.1927","0.0009","12.2887","0.0004","14.1317","0.0006","90","","90","","90","","5590.6","0.3","100","","100","","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C114 H164 N4 O7 P4 Yb2 -","- C114 H164 N4 O7 P4 Yb2 -","- C228 H328 N8 O14 P8 Yb4 -","2","0.25","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.07","0.0413","","","0.1106","0.1175","","","","","","0.918","","","","has coordinates,has disorder","281099","2023-02-23","07:58:09",""
"1568520","31.686","0.0019","23.6758","0.0008","16.4497","0.0009","90","","119.805","0.004","90","","10708.1","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H156 K N4 O4 P3 Sm2 -","- C116 H156 K N4 O4 P3 Sm2 -","- C464 H624 K4 N16 O16 P12 Sm8 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.124","0.0593","","","0.1232","0.1596","","","","","","1.032","","","","has coordinates,has disorder","281099","2023-02-23","07:58:10",""
"1568521","31.3677","0.0014","23.7878","0.0015","16.3094","0.0007","90","","119.275","0.003","90","","10615.3","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H156 Dy2 K N4 O4 P3 -","- C116 H156 Dy2 K N4 O4 P3 -","- C464 H624 Dy8 K4 N16 O16 P12 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","","0.71073","MoKα","","0.0719","0.0414","","","0.0964","0.1125","","","","","","1.027","","","","has coordinates,has disorder","281099","2023-02-23","07:58:10",""
"1568522","13.797","0.0003","14.1608","0.0005","27.0491","0.0006","90","","98.959","0.002","90","","5220.3","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H82 B Dy N2 O3 -","- C55 H82 B Dy N2 O3 -","- C220 H328 B4 Dy4 N8 O12 -","4","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.0418","0.0267","","","0.0622","0.0665","","","","","","1.017","","","","has coordinates","281099","2023-02-23","07:58:11",""
"1568523","31.5819","0.0006","24.1585","0.0004","16.5122","0.0003","90","","119.726","0.001","90","","10940.5","0.4","180","","180","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H156 K N4 O4 P3 Y2 -","- C116 H156 K N4 O4 P3 Y2 -","- C464 H624 K4 N16 O16 P12 Y8 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","1.34143","GaKα","","0.0867","0.0646","","","0.1946","0.2127","","","","","","1.056","","","","has coordinates,has disorder","281099","2023-02-23","07:58:11",""
"1568524","11.4539","0.0015","15.5189","0.0019","11.6854","0.001","90","","90","","90","","2077.1","0.4","190","2","190","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H24 Ag Cl N2 O4 -","- C22 H24 Ag Cl N2 O4 -","- C88 H96 Ag4 Cl4 N8 O16 -","4","0.5","","Fahrenhorst-Jones, Tyler; Marshall, David L.; Burns, Jed M.; Pierens, Gregory K.; Hormann, Robert E.; Fisher, Allison M.; Bernhardt, Paul V.; Blanksby, Stephen J.; Savage, G. Paul; Eaton, Philip E.; Williams, Craig M.","1-Azahomocubane.","Chemical science","2023","14","11","2821","2825","10.1039/d3sc00001j","","x-ray","1.54184","CuKα","","0.0591","0.0538","","","0.1552","0.1649","","","","","","1.062","","","","has coordinates,has disorder","282295","2023-04-04","10:01:31",""
"1568525","12.0681","0.0005","4.8252","0.0002","15.0066","0.0007","90","","94.654","0.004","90","","870.97","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Bromoisoquinoline","","- C9 H8 Br N O -","- C9 H8 Br N O -","- C36 H32 Br4 N4 O4 -","4","1","","Finkelstein, Patrick; Reisenbauer, Julia C.; Botlik, Bence B.; Green, Ori; Florin, Andri; Morandi, Bill","Nitrogen atom insertion into indenes to access isoquinolines.","Chemical science","2023","14","11","2954","2959","10.1039/d2sc06952k","","x-ray","0.71073","MoKα","","0.0618","0.0391","","","0.0875","0.0948","","","","","","1.037","","","","has coordinates","282293","2023-04-04","10:00:51",""
"1568526","9.8089","0.0003","8.7371","0.0002","18.3869","0.0005","90","","104.498","0.003","90","","1525.6","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-(isoquinolin-1-yl)phenyl)(phenyl)methanone","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Finkelstein, Patrick; Reisenbauer, Julia C.; Botlik, Bence B.; Green, Ori; Florin, Andri; Morandi, Bill","Nitrogen atom insertion into indenes to access isoquinolines.","Chemical science","2023","14","11","2954","2959","10.1039/d2sc06952k","","x-ray","1.54184","CuKα","","0.0803","0.0752","","","0.2394","0.2429","","","","","","1.143","","","","has coordinates","282293","2023-04-04","10:00:55",""
"1568527","16.1966","0.0005","16.5801","0.0005","16.2444","0.0005","90","","100.654","0.003","90","","4287.1","0.2","293","2","293","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 F3 Fe N5 O5 S -","- C13 H28 F3 Fe N5 O5 S -","- C104 H224 F24 Fe8 N40 O40 S8 -","8","2","","Kulbir, ?; Das, Sandip; Devi, Tarali; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Acid-induced nitrite reduction of nonheme iron(ii)-nitrite: mimicking biological Fe-NiR reactions.","Chemical science","2023","14","11","2935","2942","10.1039/d2sc06704h","","x-ray","0.71073","MoKα","","0.1046","0.0689","","","0.2031","0.2304","","","","","","1.11","","","","has coordinates,has disorder","282296","2023-04-04","10:01:40",""
"1568528","11.791","0.002","14.711","0.003","15.692","0.003","90","","104.111","0.005","90","","2639.8","0.9","293","2","293","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 F6 Fe N6 O7 S2 -","- C16 H31 F6 Fe N6 O7 S2 -","- C64 H124 F24 Fe4 N24 O28 S8 -","4","1","","Kulbir, ?; Das, Sandip; Devi, Tarali; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Acid-induced nitrite reduction of nonheme iron(ii)-nitrite: mimicking biological Fe-NiR reactions.","Chemical science","2023","14","11","2935","2942","10.1039/d2sc06704h","","x-ray","0.71073","MoKα","","0.115","0.0756","","","0.18","0.2012","","","","","","1.196","","","","has coordinates","282296","2023-04-04","10:01:40",""
"1568529","7.7248","0.0008","23.0566","0.0019","12.1391","0.0013","90","","103.515","0.009","90","","2102.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi","Distal <i>meta</i>-C-H functionalization of α-substituted cinnamates.","Chemical science","2023","14","22","5880","5886","10.1039/d2sc06206b","","","0.71073","MoKα","","0.0875","0.0492","","","0.1139","0.1345","","","","","","1.027","","","","has coordinates","284895","2023-07-05","09:42:53",""
"1568530","8.2408","0.0005","10.2565","0.0005","15.3407","0.0007","88.527","0.004","77.996","0.004","72.445","0.005","1208.25","0.12","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O5 S -","- C27 H23 N O5 S -","- C54 H46 N2 O10 S2 -","2","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi","Distal <i>meta</i>-C-H functionalization of α-substituted cinnamates.","Chemical science","2023","14","22","5880","5886","10.1039/d2sc06206b","","","0.71073","MoKα","","0.0765","0.0492","","","0.1219","0.1351","","","","","","1.073","","","","has coordinates","284895","2023-07-05","09:42:53",""
"1568531","10.811","0.003","8.0573","0.0019","24.254","0.005","90","","92.718","0.007","90","","2110.3","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Organic","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C96 H80 N8 O20 -","4","1","","Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi","Distal <i>meta</i>-C-H functionalization of α-substituted cinnamates.","Chemical science","2023","14","22","5880","5886","10.1039/d2sc06206b","","","0.71073","MoKα","","0.0962","0.0563","","","0.1282","0.1554","","","","","","1.028","","","","has coordinates","284895","2023-07-05","09:42:53",""
"1568533","11.6736","0.0002","18.459","0.0003","20.0226","0.0003","90","","93.092","0.001","90","","4308.25","0.12","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H64 La N3 O Si6 -","- C31 H64 La N3 O Si6 -","- C124 H256 La4 N12 O4 Si24 -","4","1","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0583","0.0619","","","","","","1.022","","","","has coordinates","282300","2023-04-04","10:03:06",""
"1568534","21.1647","0.0003","15.1053","0.0002","21.1116","0.0003","90","","90.8294","0.0013","90","","6748.65","0.16","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 La N3 O Si5 -","- C22 H50 La N3 O Si5 -","- C176 H400 La8 N24 O8 Si40 -","8","2","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0562","0.0372","","","0.0842","0.0934","","","","","","1.048","","","","has coordinates,has disorder","282300","2023-04-04","10:03:06",""
"1568535","27.6404","0.0007","15.2264","0.0003","24.752","0.0007","90","","123.939","0.004","90","","8642.5","0.5","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C55 H140 B6 La2 N4 O8 Si8 -","- C55 H140 B6 La2 N4 O8 Si8 -","- C220 H560 B24 La8 N16 O32 Si32 -","4","1","","Rothbaum, Jacob O.; Motta, Alessandro; Kratish, Yosi; Marks, Tobin J.","Mechanistic study of homoleptic trisamidolanthanide-catalyzed aldehyde and ketone hydroboration. Chemically non-innocent ligand participation.","Chemical science","2023","14","12","3247","3256","10.1039/d2sc06442a","","x-ray","0.71073","MoKα","","0.0673","0.0536","","","0.1334","0.1415","","","","","","1.039","","","","has coordinates","282300","2023-04-04","10:03:06",""
"1568538","6.401","0.0019","7.613","0.002","22.401","0.006","90","","92.679","0.01","90","","1090.4","0.5","276","2","276","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Nan, Jiang; Ren, Xin; Yan, Qiang; Liu, Shilei; Wang, Jing; Ma, Yangmin; Szostak, Michal","Hypervalent iodine-promoted twofold oxidative coupling of amines with amides and thioamides: chemoselective pathway to oxazoles and thiazoles.","Chemical science","2023","14","12","3338","3345","10.1039/d3sc00301a","","","0.71073","MoKα","","0.1165","0.074","","","0.168","0.1873","","","","","","1.062","","","","has coordinates","282310","2023-04-04","10:06:17",""
"1568539","7.5785","0.0006","19.2356","0.0016","13.4588","0.0011","90","","92.817","0.002","90","","1959.6","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N S -","- C12 H9 N S -","- C96 H72 N8 S8 -","8","2","","Nan, Jiang; Ren, Xin; Yan, Qiang; Liu, Shilei; Wang, Jing; Ma, Yangmin; Szostak, Michal","Hypervalent iodine-promoted twofold oxidative coupling of amines with amides and thioamides: chemoselective pathway to oxazoles and thiazoles.","Chemical science","2023","14","12","3338","3345","10.1039/d3sc00301a","","","0.71073","MoKα","","0.1076","0.0731","","","0.15","0.1686","","","","","","1.178","","","","has coordinates","299663","2025-05-14","10:17:59",""
"1568542","13.263","0.0013","24.954","0.002","5.6399","0.0005","90","","90","","90","","1866.6","0.3","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H9 Br N2 O2 -","- C8 H9 Br N2 O2 -","- C64 H72 Br8 N16 O16 -","8","1","","Ji, Peng; Meng, Xiang; Chen, Jing; Gao, Feng; Xu, Hang; Wang, Wei","Combining photoredox catalysis and hydrogen atom transfer for dearomative functionalization of electron rich heteroarenes.","Chemical science","2023","14","12","3332","3337","10.1039/d3sc00060e","","","0.71073","MoKα","","0.0213","0.0185","","","0.0462","0.0473","","","","","","1.042","","","","has coordinates","282301","2023-04-04","10:03:18",""
"1568543","9.1898","0.0001","7.9984","0.0001","14.9186","0.0002","90","","94.829","0.001","90","","1092.68","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 N O4 S -","- C25 H21 N O4 S -","- C50 H42 N2 O8 S2 -","2","1","","Zhou, Ji-Jia; Meng, Ya-Nan; Liu, Li-Gao; Liu, Yi-Xi; Xu, Zhou; Lu, Xin; Zhou, Bo; Ye, Long-Wu","Copper-catalyzed enantioselective diyne cyclization <i>via</i> C(sp<sup>2</sup>)-O bond cleavage.","Chemical science","2023","14","13","3493","3500","10.1039/d2sc06152j","","x-ray","1.54184","CuKα","","0.044","0.0419","","","0.1237","0.1248","","","","","","1.167","","","","has coordinates","282287","2023-04-04","09:56:26",""
"1568545","9.6319","0.0007","26.669","0.002","18.8824","0.0015","90","","94.412","0.003","90","","4836","0.6","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H36 O8 -","- C54 H36 O8 -","- C216 H144 O32 -","4","1","","Wang, Ning; Feng, Hui-Wei; Hao, Xinhui; Cao, Yang; Xu, Xing-Dong; Feng, Shengyu","Dynamic covalent bond and metal coordination bond-cross-linked silicone elastomers with excellent mechanical and aggregation-induced emission properties","Polymer Chemistry","2023","14","12","1396","1403","10.1039/D3PY00140G","","","1.54178","CuKα","","0.1221","0.0974","","","0.2934","0.3085","","","","","","1.118","","","","has coordinates","282347","2023-04-04","10:22:27",""
"1568546","9.3439","0.0011","17.753","0.002","18.6225","0.0018","83.662","0.005","76.429","0.005","87.119","0.005","2983.6","0.6","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H64 N4 O4 -","- C66 H64 N4 O4 -","- C132 H128 N8 O8 -","2","1","","Wang, Ning; Feng, Hui-Wei; Hao, Xinhui; Cao, Yang; Xu, Xing-Dong; Feng, Shengyu","Dynamic covalent bond and metal coordination bond-cross-linked silicone elastomers with excellent mechanical and aggregation-induced emission properties","Polymer Chemistry","2023","14","12","1396","1403","10.1039/D3PY00140G","","","1.54178","CuKα","","0.1568","0.1073","","","0.3326","0.3772","","","","","","1.337","","","","has coordinates,has disorder","282347","2023-04-04","10:22:39",""
"1568547","9.2183","0.0001","34.7939","0.0004","10.2564","0.0001","90","","91.784","0.001","90","","3288.05","0.06","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl N O2 P S -","- C18 H13 Cl N O2 P S -","- C144 H104 Cl8 N8 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0489","0.0408","","","0.1036","0.1092","","","","","","1.05","","","","has coordinates","281227","2023-03-02","07:55:27",""
"1568548","15.6906","0.0003","14.9491","0.0003","18.9271","0.0004","90","","90","","90","","4439.55","0.15","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H19 Cl N O2 P S -","- C26 H19 Cl N O2 P S -","- C208 H152 Cl8 N8 O16 P8 S8 -","8","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0812","0.0476","","","0.1221","0.1413","","","","","","1.046","","","","has coordinates","281227","2023-03-02","07:55:31",""
"1568549","17.9194","0.0003","12.2042","0.0001","18.6576","0.0002","90","","90","","90","","4080.27","0.09","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N O2 P S -","- C25 H20 N O2 P S -","- C200 H160 N8 O16 P8 S8 -","8","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0481","0.0383","","","0.0883","0.0932","","","","","","1.067","","","","has coordinates","281227","2023-03-02","07:55:34",""
"1568550","50.1288","0.0008","10.1911","0.0002","18.7459","0.0004","90","","90","","90","","9576.7","0.3","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H32 N O2 P S -","- C41 H32 N O2 P S -","- C492 H384 N12 O24 P12 S12 -","12","3","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0967","0.0845","","","0.2096","0.2178","","","","","","1.142","","","","has coordinates,has disorder","281227","2023-03-02","07:55:37",""
"1568551","8.8731","0.0003","10.5634","0.0003","12.9478","0.0004","106.562","0.002","99.86","0.002","107.702","0.003","1063.05","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N O2 P S -","- C25 H22 N O2 P S -","- C50 H44 N2 O4 P2 S2 -","2","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0466","0.0376","","","0.0935","0.0991","","","","","","1.033","","","","has coordinates","281227","2023-03-02","07:55:47",""
"1568552","11.1666","0.0002","17.1521","0.0003","12.847","0.0002","90","","103.054","0.002","90","","2397.01","0.07","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N O2 P S -","- C29 H24 N O2 P S -","- C116 H96 N4 O8 P4 S4 -","4","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0569","0.041","","","0.099","0.1065","","","","","","1.049","","","","has coordinates","281227","2023-03-02","07:55:49",""
"1568553","15.6578","0.0004","11.5015","0.0002","15.1026","0.0004","90","","101.945","0.003","90","","2660.91","0.11","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N O2 P S -","- C33 H26 N O2 P S -","- C132 H104 N4 O8 P4 S4 -","4","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0991","0.0564","","","0.1058","0.1205","","","","","","1.046","","","","has coordinates,has disorder","281227","2023-03-02","07:55:49",""
"1568554","8.0545","0.0002","27.2503","0.0006","18.9144","0.0005","90","","91.813","0.002","90","","4149.4","0.18","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H18.5 Cl N1.5 O2 P S -","- C23 H18.5 Cl N1.5 O2 P S -","- C184 H148 Cl8 N12 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0737","0.0467","","","0.0979","0.1029","","","","","","0.911","","","","has coordinates","281227","2023-03-02","07:55:49",""
"1568555","16.434","0.0002","15.6804","0.0002","22.1748","0.0003","90","","92.558","0.001","90","","5708.57","0.13","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 Cl N O2 P S -","- C34 H25 Cl N O2 P S -","- C272 H200 Cl8 N8 O16 P8 S8 -","8","2","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0715","0.0437","","","0.0998","0.1139","","","","","","1.026","","","","has coordinates,has disorder","281227","2023-03-02","07:55:49",""
"1568556","7.73185","0.00008","5.91229","0.00007","19.8978","0.0002","90","","92.4788","0.001","90","","908.736","0.017","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C40 H48 O8 -","2","1","","Xu, Qi; Lu, Chuan-Jun; Guo, Chang-Qiu; Feng, Jia; Liu, Ren-Rong","Palladium-catalyzed enantioselective rearrangement of dienyl cyclopropanes.","Chemical science","2023","14","12","3346","3351","10.1039/d2sc06548g","","x-ray","1.54184","CuKα","","0.026","0.0258","","","0.0681","0.0682","","","","","","1.077","","","","has coordinates","282309","2023-04-04","10:06:06",""
"1568557","29.3549","0.0002","14.3817","0.0001","21.2892","0.0002","90","","106.304","0.001","90","","8626.3","0.12","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H46 B1.5 Cu1.5 F6 N8 O2 -","- C43 H46 B1.5 Cu1.5 F6 N8 O2 -","- C344 H368 B12 Cu12 F48 N64 O16 -","8","1","","Kim, Heechan; Shin, Juhwan; Kim, Seyong; Lee, Dongwhan","Helical fluxionality: numerical frustration drives concerted low-barrier screw motions of a tricopper cluster.","Chemical science","2023","14","12","3265","3269","10.1039/d3sc00851g","","x-ray","1.54184","CuKα","","0.0581","0.0565","","","0.1584","0.1597","","","","","","1.055","","","","has coordinates,has disorder","282306","2023-04-04","10:04:54",""
"1568563","11.4044","0.0004","11.659","0.0004","18.3508","0.0006","77.642","0.001","77.549","0.001","83.582","0.001","2321.88","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H56 B Cl4 N3 -","- C53 H56 B Cl4 N3 -","- C106 H112 B2 Cl8 N6 -","2","1","","Zou, Yang; Yu, Mingxin; Miao, Jingsheng; Huang, Taian; Liao, Shuokun; Cao, Xiaosong; Yang, Chuluo","Dynamic bond interactions fine-tune the properties of multiple resonance emitters towards highly efficient narrowband green OLEDs.","Chemical science","2023","14","12","3326","3331","10.1039/d3sc00246b","","","0.71073","MoKα","","0.149","0.0969","","","0.2507","0.3011","","","","","","1.04","","","","has coordinates","282308","2023-04-04","10:05:44",""
"1568564","29.338","0.003","11.2565","0.0011","16.2958","0.0016","90","","90.366","0.003","90","","5381.5","0.9","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H56 B Cl4 N3 -","- C53 H56 B Cl4 N3 -","- C212 H224 B4 Cl16 N12 -","4","1","","Zou, Yang; Yu, Mingxin; Miao, Jingsheng; Huang, Taian; Liao, Shuokun; Cao, Xiaosong; Yang, Chuluo","Dynamic bond interactions fine-tune the properties of multiple resonance emitters towards highly efficient narrowband green OLEDs.","Chemical science","2023","14","12","3326","3331","10.1039/d3sc00246b","","","0.71073","MoKα","","0.1741","0.1221","","","0.3676","0.4253","","","","","","1.116","","","","has coordinates,has disorder","282308","2023-04-04","10:05:53",""
"1568565","27.1355","0.0006","29.0697","0.0006","33.4936","0.0007","67.428","0.002","80.522","0.002","62.942","0.002","21724.7","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C175 H168 N31 O35.5 Se -","- C173.5 H92.5 N31 O35.5 Se -","- C694 H370 N124 O142 Se4 -","4","2","","Menke, Friedericke S.; Wicher, Barbara; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan","An abiotic, tetrameric, eight-helix bundle.","Chemical science","2023","14","14","3742","3751","10.1039/d3sc00267e","","","1.54184","CuKα","","0.1722","0.1553","","","0.4558","0.4739","","","","","","2.094","","","","has coordinates","299663","2025-05-14","10:17:59",""
"1568566","9.5281","0.0006","11.0226","0.0007","11.2386","0.0007","102.796","0.005","97.883","0.005","112.732","0.005","1028.54","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 B2 K2 O6 -","- C42 H60 B2 K2 O6 -","- C42 H60 B2 K2 O6 -","1","0.5","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0557","0.0468","","","0.1072","0.1139","","","","","","1.194","","","","has coordinates","284223","2023-06-05","04:02:07",""
"1568567","12.8057","0.0007","14.5978","0.0009","17.7056","0.0014","90","","90","","90","","3309.8","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 B2 K2 O6 -","- C30 H44 B2 K2 O6 -","- C120 H176 B8 K8 O24 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0355","0.0326","","","0.0833","0.0848","","","","","","1.03","","","","has coordinates","284223","2023-06-05","04:02:09",""
"1568568","12.793","0.0004","10.3041","0.0002","18.528","0.0005","90","","108.578","0.003","90","","2315.1","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B2 Cl2 S2 -","- C23 H26 B2 Cl2 S2 -","- C92 H104 B8 Cl8 S8 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0493","0.037","","","0.0962","0.1036","","","","","","1.018","","","","has coordinates,has disorder","284223","2023-06-05","04:02:09",""
"1568569","8.4929","0.0003","9.7032","0.0003","16.0667","0.0006","85.041","0.003","82.312","0.003","84.756","0.003","1302.94","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 B2 I Li O2 -","- C28 H34 B2 I Li O2 -","- C56 H68 B4 I2 Li2 O4 -","2","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0244","0.0226","","","0.0599","0.0611","","","","","","1.063","","","","has coordinates,has disorder","284223","2023-06-05","04:02:09",""
"1568570","9.451","0.0003","27.0259","0.0012","18.235","0.0007","90","","102.177","0.003","90","","4552.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 B2 K2 O6 -","- C48 H64 B2 K2 O6 -","- C192 H256 B8 K8 O24 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0731","0.05","","","0.1032","0.1114","","","","","","1.058","","","","has coordinates","284223","2023-06-05","04:02:09",""
"1568571","36.4809","0.0003","14.42217","0.00012","7.54283","0.00007","90","","90","","90","","3968.54","0.06","100","0.1","100","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H33 O3.5 -","- C23 H33 O3.5 -","- C184 H264 O28 -","8","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0409","0.0387","","","0.1024","0.1041","","","","","","1.045","","","","has coordinates","283190","2023-05-05","01:13:34",""
"1568572","7.46953","0.00017","17.2423","0.0004","25.6766","0.0006","90","","90","","90","","3306.94","0.13","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C168 H208 O24 -","8","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0461","0.0406","","","0.1035","0.1073","","","","","","1.059","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568573","9.6931","0.0004","25.8093","0.0008","7.4931","0.0003","90","","102.745","0.004","90","","1828.38","0.12","113.15","","113.15","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C23 H30 O2 -","- C23 H30 O2 -","- C92 H120 O8 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","0.71073","MoKα","","0.0613","0.0503","","","0.1148","0.1241","","","","","","1.031","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568574","13.3523","0.0001","7.5495","0.0001","16.8408","0.0001","90","","98.785","0.001","90","","1677.69","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0439","0.0404","","","0.1079","0.1106","","","","","","1.083","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568575","9.484","0.0003","13.8807","0.0003","14.0827","0.0003","90","","90","","90","","1853.91","0.08","113.15","","113.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","0.71073","MoKα","","0.0397","0.0356","","","0.089","0.0916","","","","","","1.044","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568611","8.3118","0.0007","8.452","0.0005","12.0667","0.0008","80.772","0.005","79.03","0.006","72.149","0.006","787.41","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Br Cl F2 O3 -","- C18 H8 Br Cl F2 O3 -","- C36 H16 Br2 Cl2 F4 O6 -","2","1","","Linde, Sif T.; Corti, Vasco; Lauridsen, Vibeke H.; Lamhauge, Johannes N.; Jørgensen, Karl Anker; Rezayee, Nomaan M.","Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis.","Chemical science","2023","14","13","3676","3681","10.1039/d2sc06131g","","x-ray","0.71073","MoKα","","0.0519","0.0421","","","0.103","0.1114","","","","","","1.0351","","","","has coordinates","283169","2023-05-05","01:06:05",""
"1568612","10.6752","0.0002","11.971","0.0004","12.2865","0.0004","90","","90","","90","","1570.13","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9.714 H9.143 Br1.143 O1.143 -","- C9.71429 H9.14286 Br1.14286 O1.14286 -","- C68 H64 Br8 O8 -","7","1.75","","Linde, Sif T.; Corti, Vasco; Lauridsen, Vibeke H.; Lamhauge, Johannes N.; Jørgensen, Karl Anker; Rezayee, Nomaan M.","Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis.","Chemical science","2023","14","13","3676","3681","10.1039/d2sc06131g","","x-ray","0.71073","MoKα","","0.0381","0.0337","","","0.0674","0.0715","","","","","","1.0319","","","","has coordinates","283169","2023-05-05","01:06:06",""
"1568613","10.4129","0.0001","10.4129","0.0001","10.4129","0.0001","90","","90","","90","","1129.06","0.019","300","2","300","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl6 Cs2 Mo Na -","- Cl6 Cs2 Mo Na -","- Cl24 Cs8 Mo4 Na4 -","4","0.0208333","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0161","0.0136","","","0.0371","0.0382","","","","","","1.225","","","","has coordinates","301209","2025-07-10","11:18:51",""
"1568614","7.3359","0.0002","7.3359","0.0002","6.8017","0.0002","90","","90","","120","","316.997","0.015","293","2","293","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C2 H12 Ag Cl6 Mo N2 -","- C2 H12.0024 Ag Cl6 Mo N2 -","- C2 H12.0024 Ag Cl6 Mo N2 -","1","0.0833333","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0369","0.0368","","","0.0964","0.0964","","","","","","1.373","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1568615","7.636","0.002","7.671","0.002","9.789","0.003","80.191","0.012","88.082","0.012","89.402","0.012","564.7","0.3","460","2","460","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","1","0.5","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.0643","0.0412","","","0.1038","0.1144","","","","","","1.067","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1568616","7.6668","0.0015","7.7072","0.0014","9.449","0.0014","102.229","0.008","91.183","0.006","90.127","0.006","545.54","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","- C8 H28 Ag Cl8 Mo N4 -","1","0.5","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.041","0.0396","","","0.118","0.1188","","","","","","1.187","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1568617","16.0647","0.0009","7.3477","0.0004","16.1264","0.0008","90","","103.599","0.002","90","","1850.17","0.17","300","2","300","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C4 H24 Cl7 Mo N4 -","- C4 H24 Cl7 Mo N4 -","- C16 H96 Cl28 Mo4 N16 -","4","1","","Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap","Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.","Chemical science","2023","14","15","3982","3989","10.1039/d3sc00132f","","","0.71073","MoKα","","0.041","0.0251","","","0.0496","0.054","","","","","","1.037","","","","has coordinates","283187","2023-05-05","01:12:31",""
"1568618","11.6629","0.0009","10.2338","0.0005","20.6113","0.0012","90","","105.744","0.007","90","","2367.8","0.3","150.01","0.1","150.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","W(u-CF)(AuCl)(CO)2(Tp*)","","- C18 H22 Au B Cl F N6 O2 W -","- C18 H22 Au B Cl F N6 O2 W -","- C72 H88 Au4 B4 Cl4 F4 N24 O8 W4 -","4","1","","Manzano, Richard A.; Hill, Anthony F.","Fluorocarbyne complexes <i>via</i> electrophilic fluorination of carbido ligands.","Chemical science","2023","14","14","3776","3781","10.1039/d3sc00261f","","x-ray","0.71073","MoKα","","0.0497","0.0359","","","0.0671","0.0734","","","","","","1.015","","","","has coordinates","283172","2023-05-05","01:06:50",""
"1568619","7.9256","0.0003","13.8329","0.0007","19.194","0.0009","90","","96.493","0.004","90","","2090.82","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 B F Mo N6 O2 -","- C18 H22 B F Mo N6 O2 -","- C72 H88 B4 F4 Mo4 N24 O8 -","4","1","","Manzano, Richard A.; Hill, Anthony F.","Fluorocarbyne complexes <i>via</i> electrophilic fluorination of carbido ligands.","Chemical science","2023","14","14","3776","3781","10.1039/d3sc00261f","","x-ray","0.71073","MoKα","","0.0715","0.0632","","","0.1457","0.1489","","","","","","1.19","","","","has coordinates","283172","2023-05-05","01:06:50",""
"1568620","10.2031","0.0002","11.8054","0.0003","16.122","0.0004","74.925","0.002","89.781","0.002","89.984","0.002","1875.08","0.08","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C30 H17 B Br2 -","- C30 H17 B Br2 -","- C90 H51 B3 Br6 -","3","3","","Guo, Jing; Zhang, Kaihua; Wang, Yanpei; Wei, Haipeng; Xiao, Wang; Yang, Kun; Zeng, Zebing","Fully-fused boron-doped olympicenes: modular synthesis, tunable optoelectronic properties, and one-electron reduction.","Chemical science","2023","14","15","4158","4165","10.1039/d3sc00342f","","x-ray","1.54184","CuKα","","0.0609","0.0511","","","0.124","0.1289","","","","","","1.043","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1568621","9.6748","0.0003","10.1293","0.0004","17.5132","0.0006","97.089","0.003","94.219","0.003","117.91","0.003","1488.08","0.1","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C37 H22 B Br2 Cl3 -","- C37 H22 B Br2 Cl3 -","- C74 H44 B2 Br4 Cl6 -","2","1","","Guo, Jing; Zhang, Kaihua; Wang, Yanpei; Wei, Haipeng; Xiao, Wang; Yang, Kun; Zeng, Zebing","Fully-fused boron-doped olympicenes: modular synthesis, tunable optoelectronic properties, and one-electron reduction.","Chemical science","2023","14","15","4158","4165","10.1039/d3sc00342f","","x-ray","1.54184","CuKα","","0.0704","0.0621","","","0.1779","0.1916","","","","","","1.07","","","","has coordinates","283183","2023-05-05","01:11:03",""
"1568622","9.3498","0.0008","11.4321","0.001","15.5813","0.0014","69.242","0.002","84.549","0.002","77.162","0.002","1518.2","0.2","131","2","131","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H86 B2 N6 -","- C68 H86 B2 N6 -","- C68 H86 B2 N6 -","1","0.5","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.0567","0.055","","","0.1395","0.141","","","","","","1.043","","","","has coordinates","282285","2023-04-04","09:55:42",""
"1568623","9.7065","0.001","10.4206","0.0011","16.6116","0.0017","73.769","0.004","73.502","0.004","79.487","0.004","1537.1","0.3","138","2","138","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H80 B2 F6 N6 Sb -","- C62 H79.12 B2 F6 N6 Sb -","- C62 H79.12 B2 F6 N6 Sb -","1","0.5","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.069","0.0637","","","0.1782","0.1815","","","","","","1.089","","","","has coordinates,has disorder","282285","2023-04-04","09:55:42",""
"1568624","32.041","0.003","12.9784","0.0011","16.7286","0.0014","90","","117.642","0.002","90","","6162.5","0.9","135","2","135","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H88 B2 N6 -","- C66 H88 B2 N6 -","- C264 H352 B8 N24 -","4","0.5","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.0674","0.0644","","","0.1693","0.1724","","","","","","1.063","","","","has coordinates","282285","2023-04-04","09:55:42",""
"1568625","24.71","0.0012","21.2756","0.001","24.7191","0.0012","90","","98.219","0.002","90","","12861.9","1.1","120","2","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H96 Al2 B2 F72 N6 O8 -","- C108 H96 Al2 B2 F72 N6 O8 -","- C432 H384 Al8 B8 F288 N24 O32 -","4","1","","Dai, Yuyang; Xie, Zhuofeng; Bao, Manling; Liu, Chunmeng; Su, Yuanting","Multiple stable redox states and tunable ground states <i>via</i> the marriage of viologens and Chichibabin's hydrocarbon.","Chemical science","2023","14","13","3548","3553","10.1039/d3sc00102d","","","1.34139","GaKα","","0.1491","0.1444","","","0.3288","0.3316","","","","","","1.028","","","","has coordinates,has disorder","282285","2023-04-04","09:55:42",""
"1568627","13.3238","0.0006","20.1104","0.0007","16.9292","0.0007","90","","96.463","0.004","90","","4507.3","0.3","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(±)-3a","[2.2]Triphenylenophane","","- C58 H46 N2 O6 S2 -","- C58 H46 N2 O6 S2 -","- C232 H184 N8 O24 S8 -","4","1","","Kawai, Yuya; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken","Stereoselective synthesis of [2.2]triphenylenophanes <i>via</i> intramolecular double [2 + 2 + 2] cycloadditions.","Chemical science","2023","14","15","3963","3972","10.1039/d3sc00571b","","x-ray","0.71073","MoKα","","0.1235","0.0633","","","0.1511","0.181","","","","","","0.975","","","","has coordinates","283181","2023-05-05","01:10:30",""
"1568628","12.9227","0.0004","24.0368","0.0007","17.132","0.0005","90","","97.506","0.003","90","","5275.9","0.3","210","","210","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-3e","[2.2][5]Helicenophane","","- C70 H52 O2 -","- C70 H52 O2 -","- C280 H208 O8 -","4","1","","Kawai, Yuya; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken","Stereoselective synthesis of [2.2]triphenylenophanes <i>via</i> intramolecular double [2 + 2 + 2] cycloadditions.","Chemical science","2023","14","15","3963","3972","10.1039/d3sc00571b","","x-ray","0.71073","MoKα","","0.1502","0.0765","","","0.1708","0.1958","","","","","","0.986","","","","has coordinates,has disorder","283181","2023-05-05","01:10:40",""
"1568629","8.9688","0.0003","15.8749","0.0006","16.3925","0.0005","90","","90","","90","","2333.94","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N4 Pd -","- C26 H32 N4 Pd -","- C104 H128 N16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0403","0.0396","","","0.0931","0.094","","","","","","1.379","","","","has coordinates","283174","2023-05-05","01:08:18",""
"1568630","17.1932","0.0005","11.4548","0.0003","8.6473","0.0003","90","","90","","90","","1703.04","0.09","173","2","173","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C30 H38 Cl2 N6 O8 Pd -","- C30 H38 Cl2 N6 O8 Pd -","- C60 H76 Cl4 N12 O16 Pd2 -","2","0.5","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0314","0.0267","","","0.061","0.0634","","","","","","1.049","","","","has coordinates","283174","2023-05-05","01:08:19",""
"1568631","14.0733","0.0011","18.7386","0.0015","15.869","0.0012","90","","109.564","0.005","90","","3943.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 Cl3 Li N4 O11 Pd -","- C34 H51 Cl3 Li N4 O11 Pd -","- C136 H204 Cl12 Li4 N16 O44 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.1178","0.0578","","","0.1236","0.1533","","","","","","1.011","","","","has coordinates,has disorder","283174","2023-05-05","01:08:19",""
"1568632","11.34","0.001","12.2808","0.001","20.326","0.002","90","","90","","90","","2830.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Cl N5 O4 Pd -","- C28 H35 Cl N5 O4 Pd -","- C112 H140 Cl4 N20 O16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.029","0.0249","","","0.0508","0.0524","","","","","","1.018","","","","has coordinates,has disorder","283174","2023-05-05","01:08:19",""
"1568633","8.7777","0.0002","30.6361","0.0006","9.7205","0.0002","90","","113.69","","90","","2393.71","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Cl N4 Pd -","- C26 H33 Cl N4 Pd -","- C104 H132 Cl4 N16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0185","0.0178","","","0.0431","0.0435","","","","","","1.1","","","","has coordinates","283174","2023-05-05","01:08:19",""
"1568634","13.3548","0.0001","14.7155","0.0001","11.9066","0.0001","90","","105.491","0.001","90","","2254.91","0.03","123.2","0.3","123.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Br2 Fe P5 -","- C16 H27 Br2 Fe P5 -","- C64 H108 Br8 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.39222","CuKβ","","0.0491","0.048","","","0.1321","0.1335","","","","","","1.053","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568635","9.1712","0.0001","14.2201","0.0001","14.903","0.0002","90","","90","","90","","1943.58","0.04","123.01","0.1","123.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Fe P5 -","- C15 H25 Fe P5 -","- C60 H100 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0271","0.0267","","","0.059","0.0592","","","","","","1.076","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568636","9.4353","0.0002","13.7981","0.0003","15.3668","0.0004","69.087","0.002","77.735","0.002","89.91","0.002","1820.09","0.08","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 Fe P5 -","- C14 H23 Fe P5 -","- C56 H92 Fe4 P20 -","4","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0362","0.0355","","","0.0971","0.0978","","","","","","1.058","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568637","8.4755","0.0001","8.8421","0.0001","22.8473","0.0003","90","","90","","90","","1712.2","0.04","123","0.1","123","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 Fe P5 -","- C13 H21 Fe P5 -","- C52 H84 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0274","0.0272","","","0.0737","0.0739","","","","","","1.036","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568638","9.293","0.0003","14.8439","0.0005","14.4562","0.0005","90","","90","","90","","1994.15","0.12","122.99","0.1","122.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Fe P5 -","- C16 H27 Fe P5 -","- C64 H108 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0468","0.0462","","","0.1091","0.1093","","","","","","1.2","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13",""
"1568639","16.7779","0.0001","10.4268","0.0001","11.693","0.0001","90","","101.778","0.001","90","","2002.5","0.03","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 P S -","- C10 H13 P S -","- C80 H104 P8 S8 -","8","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0279","0.0272","","","0.0746","0.0751","","","","","","1.049","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568640","19.03","0.0005","6.1666","0.0002","10.2233","0.0002","90","","97.346","0.002","90","","1189.86","0.06","122.97","0.11","122.97","0.11","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H17 P S -","- C12 H17 P S -","- C48 H68 P4 S4 -","4","2","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0654","0.0599","","","0.1648","0.1704","","","","","","1.057","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13",""
"1568641","16.0552","0.0008","10.9392","0.0005","6.204","0.0003","90","","90","","90","","1089.61","0.09","122.98","0.1","122.98","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H15 P S -","- C11 H15 P S -","- C44 H60 P4 S4 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0539","0.0514","","","0.1439","0.1467","","","","","","1.108","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568642","12.9259","0.0001","9.9976","0.0001","19.7326","0.0001","90","","94.216","0.001","90","","2543.1","0.03","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 P S -","- C13 H19 P S -","- C104 H152 P8 S8 -","8","4","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0364","0.0358","","","0.1013","0.1018","","","","","","1.027","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568643","11.6774","0.0001","11.6774","0.0001","18.9131","0.0002","90","","90","","90","","2579.02","0.04","100.01","0.12","100.01","0.12","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C8 H18 Cl2 P2 Pt -","- C8 H18 Cl2 P2 Pt -","- C64 H144 Cl16 P16 Pt8 -","8","0.5","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","0.71073","MoKα","","0.02","0.0195","","","0.0495","0.0499","","","","","","1.081","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13",""
"1568644","9.724","0.0001","22.5867","0.0001","10.3002","0.0001","90","","106.207","0.001","90","","2172.36","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C51 H57 N2 P3 -","- C51 H57 N2 P3 -","- C102 H114 N4 P6 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","","","0.0354","0.0343","","","0.0878","0.0889","","","","","","1.047","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568645","11.5146","0.0002","13.8208","0.0002","16.3726","0.0003","76.35","0.001","86.705","0.001","79.973","0.001","2492.92","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H59 I N2 O P3 Rh -","- C53 H59 I N2 O P3 Rh -","- C106 H118 I2 N4 O2 P6 Rh2 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0254","0.0235","","","0.0606","0.0615","","","","","","1.089","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568646","10.7834","0.0002","14.9584","0.0003","19.8288","0.0003","96.372","0.002","103.56","0.001","100.505","0.002","3017.36","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H64 Br2 N2 O P3 Rh -","- C59 H64 Br2 N2 O P3 Rh -","- C118 H128 Br4 N4 O2 P6 Rh2 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0862","0.0776","","","0.2247","0.2356","","","","","","1.082","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568647","11.62871","0.00011","14.7063","0.00014","22.76166","0.00016","81.2531","0.0007","77.8491","0.0007","73.0988","0.0008","3623.8","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H43 Li N2 O P2 -","- C43 H43 Li N2 O P2 -","- C172 H172 Li4 N8 O4 P8 -","4","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0475","0.0444","","","0.118","0.1206","","","","","","1.027","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568648","11.4287","0.0001","25.4664","0.0003","39.3056","0.0007","90","","110.858","0.002","90","","10690.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H61 I N2 O P3 Rh -","- C54 H61 I N2 O P3 Rh -","- C432 H488 I8 N16 O8 P24 Rh8 -","8","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0711","0.0546","","","0.1455","0.1559","","","","","","1.065","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568649","11.6926","0.0001","14.4062","0.0002","16.2053","0.0002","105.002","0.001","95.705","0.001","98.036","0.001","2584.42","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H65 Cl N2 O P3 Rh -","- C55 H65 Cl N2 O P3 Rh -","- C110 H130 Cl2 N4 O2 P6 Rh2 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","0.71073","MoKα","","0.0421","0.0319","","","0.0798","0.0844","","","","","","1.035","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568650","12.2238","0.0002","33.5168","0.0004","12.3138","0.0001","90","","105.065","0.001","90","","4871.61","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H65 N2 P4 Rh -","- C54 H65 N2 P4 Rh -","- C216 H260 N8 P16 Rh4 -","4","2","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","0.71073","MoKα","","0.0358","0.032","","","0.0762","0.0778","","","","","","1.063","","","","has coordinates","283173","2023-05-05","01:07:50",""
"1568651","13.4359","0.0002","14.5922","0.0002","28.2841","0.0004","83.805","0.001","82.158","0.001","65.89","0.002","5005.91","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H120 N4 O3 P6 Rh2 -","- C108 H120 N4 O3 P6 Rh2 -","- C216 H240 N8 O6 P12 Rh4 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0468","0.0443","","","0.1194","0.1216","","","","","","1.023","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568652","43.4288","0.0005","43.4288","0.0005","13.10301","0.00016","90","","90","","120","","21402.1","0.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C53 H59 I N2 O P3 Rh -","- C53 H59 I N2 O P3 Rh -","- C954 H1062 I18 N36 O18 P54 Rh18 -","18","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0573","0.0506","","","0.1252","0.1292","","","","","","1.11","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568653","17.9895","0.0001","19.0756","0.0001","19.2191","0.0001","89.783","0.001","67.234","0.001","62.295","0.001","5257.42","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C107.5 H118 I2 N4 O2 P6 Rh2 -","- C107.5 H118 I2 N4 O2 P6 Rh2 -","- C215 H236 I4 N8 O4 P12 Rh4 -","2","1","","Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.","Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.","Chemical science","2023","14","14","3816","3825","10.1039/d2sc06759e","","","1.54184","CuKα","","0.0381","0.0367","","","0.0889","0.0899","","","","","","1.037","","","","has coordinates,has disorder","283173","2023-05-05","01:07:50",""
"1568654","6.173","0.004","7.53","0.004","17.45","0.01","99.942","0.015","93.614","0.016","95.649","0.016","792.4","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 F6 N O S -","- C15 H11 F6 N O S -","- C30 H22 F12 N2 O2 S2 -","2","1","","Yang, Yi; Saffon-Merceron, Nathalie; Vantourout, Julien C.; Tlili, Anis","Novel N(SCF<sub>3</sub>)(CF<sub>3</sub>)-amines: synthesis, scalability and stability.","Chemical science","2023","14","14","3893","3898","10.1039/d2sc06542h","","","0.71073","MoKα","","0.1681","0.0713","","","0.1597","0.2145","","","","","","1.012","","","","has coordinates,has disorder","283171","2023-05-05","01:06:30",""
"1568660","8.9864","0.0004","15.1402","0.0011","24.1044","0.0011","90","","95.057","0.004","90","","3266.8","0.3","109","3","109","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C176 H136 N8 O16 -","8","2","","Fan, Rong; Liu, Shihan; Yan, Qiang; Wei, Yun; Wang, Jingwen; Lan, Yu; Tan, Jiajing","Empowering boronic acids as hydroxyl synthons for aryne induced three-component coupling reactions.","Chemical science","2023","14","16","4278","4287","10.1039/d3sc00072a","","x-ray","0.71073","MoKα","","0.0648","0.0465","","","0.092","0.1014","","","","","","1.042","","","","has coordinates","283164","2023-05-05","01:04:36",""
"1568661","14.8247","0.0004","11.5912","0.0003","15.542","0.0004","90","","97.987","0.003","90","","2644.77","0.12","112.15","0.1","112.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C144 H120 N8 O8 -","8","2","","Fan, Rong; Liu, Shihan; Yan, Qiang; Wei, Yun; Wang, Jingwen; Lan, Yu; Tan, Jiajing","Empowering boronic acids as hydroxyl synthons for aryne induced three-component coupling reactions.","Chemical science","2023","14","16","4278","4287","10.1039/d3sc00072a","","x-ray","0.71073","MoKα","","0.0643","0.0446","","","0.098","0.1104","","","","","","1.032","","","","has coordinates","283164","2023-05-05","01:04:37",""
"1568662","11.5164","0.0005","17.905","0.0005","31.034","0.001","77.629","0.002","80.917","0.003","84.108","0.003","6156.5","0.4","169.99","0.11","169.99","0.11","","","","","","","","3","P -1","-P 1","2","","DYX-7","","- C147 H123 Cl9 -","- C147 H123 Cl9 -","- C294 H246 Cl18 -","2","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.2019","0.1631","","","0.4168","0.444","","","","","","1.536","","","","has coordinates,has disorder","287329","2023-11-06","07:08:39",""
"1568663","11.53234","0.00011","17.8477","0.00019","30.031","0.0003","90","","91.5252","0.0009","90","","6178.96","0.11","170","0.1","170","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C84.7 H68.52 -","- C84.698 H68.512 -","- C338.792 H274.048 -","4","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","","1.54184","CuKα","","0.0647","0.0601","","","0.1527","0.159","","","","","","1.069","","","","has coordinates,has disorder","287329","2023-11-06","07:08:44",""
"1568664","31.90908","0.00014","31.90908","0.00014","37.2706","0.00018","90","","90","","120","","32864.4","0.3","169.99","0.12","169.99","0.12","","","","","","","","3","R -3 :H","-R 3","148","","","","- C73 H57 Cl5 -","- C73 H57 Cl5 -","- C1314 H1026 Cl90 -","18","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.0671","0.0643","","","0.1845","0.1871","","","","","","1.049","","","","has coordinates","287329","2023-11-06","07:08:45",""
"1568665","12.6634","0.0006","19.4621","0.0006","22.141","0.0006","101.227","0.002","95.079","0.003","100.078","0.003","5227.1","0.3","169.99","0.1","169.99","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C72 H56 -","- C72 H56 -","- C288 H224 -","4","2","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.1265","0.0953","","","0.2567","0.2838","","","","","","1.043","","","","has coordinates,has disorder","287329","2023-11-06","07:08:45",""
"1568666","19.4705","0.0002","18.0286","0.0001","26.3919","0.0003","90","","100.346","0.001","90","","9113.61","0.15","172.99","0.1","172.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C132 H54 -","- C132 H54 -","- C528 H216 -","4","1","","Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei","Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.","Chemical science","2023","14","38","10420","10428","10.1039/d3sc00658a","","x-ray","1.54184","CuKα","","0.0914","0.0769","","","0.2206","0.2338","","","","","","1.078","","","","has coordinates","287329","2023-11-06","07:08:45",""
"1568667","9.6072","0.0004","10.0198","0.0004","10.2726","0.0004","81.79","0.003","67.85","0.004","63.025","0.004","815.76","0.07","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H52 B2 N2 O4 -","- C32 H52 B2 N2 O4 -","- C32 H52 B2 N2 O4 -","1","0.5","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","x-ray","0.71073","MoKα","","0.0514","0.034","","","0.0494","0.0538","","","","","","1.0975","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568668","7.3365","0.0002","12.5616","0.0004","15.3464","0.0004","107.814","0.003","93.035","0.002","97.768","0.002","1327.45","0.07","120.01","0.1","120","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H23 B2 Br4 Cl2 N O -","- C23 H23 B2 Br4 Cl2 N O -","- C46 H46 B4 Br8 Cl4 N2 O2 -","2","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0444","0.0286","","","0.0551","0.0593","","","","","","1.048","","","","has coordinates,has disorder","283178","2023-05-05","01:09:42",""
"1568669","15.7521","0.0004","6.9607","0.0001","12.136","0.0002","90","","90.573","0.002","90","","1330.59","0.04","120.01","0.11","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 B Br2 N -","- C12 H18 B Br2 N -","- C48 H72 B4 Br8 N4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0344","0.0236","","","0.0486","0.0512","","","","","","1.048","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568670","17.5337","0.0011","9.019","0.0003","18.6811","0.0008","90","","117.156","0.006","90","","2628.5","0.3","120.01","0.13","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H24 B2 Br4 Cl N O -","- C24.5 H24 B2 Br4 Cl N O -","- C98 H96 B8 Br16 Cl4 N4 O4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0913","0.0497","","","0.0987","0.1156","","","","","","1.012","","","","has coordinates,has disorder","283178","2023-05-05","01:09:42",""
"1568671","11.9253","0.0005","13.1059","0.0008","16.0617","0.0006","86.088","0.004","72.721","0.003","77.089","0.004","2336.4","0.2","120.1","0.5","120.1","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 B Cl3 N O -","- C25 H27 B Cl3 N O -","- C100 H108 B4 Cl12 N4 O4 -","4","2","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","x-ray","0.71073","MoKα","","0.08","0.0479","","","0.0953","0.1004","","","","","","0.961","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568672","9.8358","0.0001","11.6082","0.0001","22.5888","0.0002","90","","90","","90","","2579.1","0.04","119.99","0.17","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 B2 Br2 N O -","- C30 H31 B2 Br2 N O -","- C120 H124 B8 Br8 N4 O4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0312","0.0257","","","0.0559","0.0578","","","","","","1.051","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568674","8.4703","0.0002","13.2994","0.0003","24.425","0.0007","90","","90","","90","","2751.47","0.12","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N4 Si -","- C29 H38 N4 Si -","- C116 H152 N16 Si4 -","4","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","0.71073","MoKα","","0.0566","0.0476","","","0.1161","0.1237","","","","","","1.048","","","","has coordinates","283186","2023-05-05","01:12:09",""
"1568675","10.8497","0.0008","15.4899","0.0012","20.3611","0.0014","90","","97.135","0.002","90","","3395.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cl3 N3 O Si -","- C30 H44 Cl3 N3 O Si -","- C120 H176 Cl12 N12 O4 Si4 -","4","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","0.71073","MoKα","","0.1143","0.0718","","","0.1771","0.2144","","","","","","1.034","","","","has coordinates,has disorder","283186","2023-05-05","01:12:09",""
"1568676","22.2241","0.0009","9.0072","0.0003","30.4536","0.0011","90","","90","","90","","6096.1","0.4","272","2","272","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Cl6 N2 Si -","- C25 H36 Cl6 N2 Si -","- C200 H288 Cl48 N16 Si8 -","8","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","1.54178","CuKα","","0.0912","0.0568","","","0.1454","0.1648","","","","","","1.05","","","","has coordinates,has disorder","283186","2023-05-05","01:12:09",""
"1568680","18.1535","0.0009","11.2621","0.0005","20.3773","0.001","90","","90","","90","","4166.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O P -","- C26 H24 N O P -","- C208 H192 N8 O8 P8 -","8","1","","Yang, Qingjing; Zhou, Jian; Wang, Jun Joelle","Enantioselective copper-catalyzed hydrophosphination of alkenyl isoquinolines.","Chemical science","2023","14","16","4413","4417","10.1039/d2sc06950d","","x-ray","0.71073","MoKα","","0.064","0.0414","","","0.0988","0.1101","","","","","","1.025","","","","has coordinates","283167","2023-05-05","01:05:37",""
"1568681","22.579","0.008","22.754","0.008","24.113","0.008","108.799","0.005","106.39","0.005","104.441","0.005","10431","6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C326 H425 Br3 Cu24 N10 O90 -","- C322 H284 Br3 Cu24 N10 O90 -","- C322 H284 Br3 Cu24 N10 O90 -","1","0.5","","Hu, Xiangquan; Han, Meirong; Wang, Leicheng; Shao, Li; Peeyush, Yadav; Du, Jialei; Kelley, Steven P.; Dalgarno, Scott J.; Atwood, David A.; Feng, Sisi; Atwood, Jerry L.","A copper-seamed coordination nanocapsule as a semiconductor photocatalyst for molecular oxygen activation.","Chemical science","2023","14","17","4532","4537","10.1039/d3sc00318c","","","0.71073","MoKα","","0.2263","0.1196","","","0.3193","0.3859","","","","","","1.132","","","","has coordinates,has disorder","284206","2023-06-05","03:53:10",""
"1568682","18.0163","0.0003","17.0386","0.0003","22.7773","0.0004","90","","106.062","0.002","90","","6719.1","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H108 N2 O Y -","- C76 H108 N2 O Y -","- C304 H432 N8 O4 Y4 -","4","0.5","","Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.","A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.","Chemical science","2023","14","16","4257","4264","10.1039/d3sc00171g","","x-ray","1.54184","CuKα","","0.0446","0.0417","","","0.113","0.115","","","","","","1.033","","","","has coordinates,has disorder","283168","2023-05-05","01:05:54",""
"1568683","13.82162","0.00015","28.6809","0.0003","17.115","0.0002","90","","106.366","0.0013","90","","6509.78","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H100 N3 Y -","- C73 H100 N3 Y -","- C292 H400 N12 Y4 -","4","1","","Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.","A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.","Chemical science","2023","14","16","4257","4264","10.1039/d3sc00171g","","","1.54184","CuKα","","0.0508","0.0411","","","0.091","0.0951","","","","","","1.035","","","","has coordinates","283168","2023-05-05","01:05:55",""
"1568684","39.603","0.0005","16.4949","0.0002","25.0473","0.0003","90","","91.017","0.001","90","","16359.5","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H125 Cl N2 Y -","- C84 H125 Cl N2 Y -","- C672 H1000 Cl8 N16 Y8 -","8","1","","Jena, Rashmi; Benner, Florian; Delano, 4th, Francis; Holmes, Daniel; McCracken, John; Demir, Selvan; Odom, Aaron L.","A rare isocyanide derived from an unprecedented neutral yttrium(ii) bis(amide) complex.","Chemical science","2023","14","16","4257","4264","10.1039/d3sc00171g","","x-ray","1.54178","CuKα","","0.0765","0.0598","","","0.1564","0.1727","","","","","","1.032","","","","has coordinates,has disorder","283168","2023-05-05","01:05:55",""
"1568685","5.17882","0.00011","9.5846","0.0002","23.5161","0.0006","90","","90","","90","","1167.27","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2S-azido 3S-Boc-amino butyrolactone","tert-butyl (4-azido-5-oxotetrahydrofuran-3-yl)carbamate","","- C9 H14 N4 O4 -","- C9 H14 N4 O4 -","- C36 H56 N16 O16 -","4","1","","Lichstrahl, Michael S.; Kahlert, Lukas; Li, Rongfeng; Zandi, Trevor A.; Yang, Jerry; Townsend, Craig A.","Synthesis of functionalized 2,3-diaminopropionates and their potential for directed monobactam biosynthesis.","Chemical science","2023","14","14","3923","3931","10.1039/d2sc06893a","","","1.54178","CuKα","","0.0296","0.0288","","","0.077","0.0782","","","","","","1.041","","","","has coordinates,has disorder","283176","2023-05-05","01:08:46",""
"1568686","12.7225","0.0008","15.8452","0.001","18.7186","0.0013","104.805","0.006","97.924","0.005","96.664","0.005","3568","0.4","100.03","0.16","100.03","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C76.46 H92.69 Cl N7.23 O11 -","- C76.458 H92.687 Cl N7.229 O11 -","- C152.916 H185.374 Cl2 N14.458 O22 -","2","1","","Wang, Hu; Jones, Leighton O.; Zhao, Tian; Hwang, Inhong; Lynch, Vincent M.; Khashab, Niveen M.; Schatz, George C.; Page, Zachariah A.; Sessler, Jonathan L.","Fluorescent copolymer aggregate sensor for lithium chloride.","Chemical science","2023","14","15","4120","4125","10.1039/d2sc05342j","","x-ray","1.54184","CuKα","","0.0846","0.0589","","","0.1769","0.1919","","","","","","1.042","","","","has coordinates,has disorder","283185","2023-05-05","01:11:50",""
"1568687","14.2116","0.0014","19.3311","0.0019","9.9202","0.0009","90","","90","","90","","2725.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27.5 H35 N O2 Si -","- C27.5 H35 N O2 Si -","- C110 H140 N4 O8 Si4 -","4","1","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4<i>H</i>-benzo[<i>d</i>][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.0722","0.0542","","","0.1481","0.1602","","","","","","1.025","","","","has coordinates","283182","2023-05-05","01:10:54",""
"1568688","9.521","0.003","12.367","0.003","11.509","0.003","90","","112.719","0.006","90","","1250","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N O2 Si -","- C30 H29 N O2 Si -","- C60 H58 N2 O4 Si2 -","2","1","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4<i>H</i>-benzo[<i>d</i>][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.082","0.0598","","","0.1253","0.1305","","","","","","0.908","","","","has coordinates","283182","2023-05-05","01:10:55",""
"1568689","9.572","0.003","12.507","0.005","17.419","0.006","108.613","0.001","90.26","0.007","92.416","0.001","1974.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 F N O2 Si -","- C21 H26 F N O2 Si -","- C84 H104 F4 N4 O8 Si4 -","4","2","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4<i>H</i>-benzo[<i>d</i>][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.1466","0.0828","","","0.2023","0.2222","","","","","","1.045","","","","has coordinates,has disorder","283182","2023-05-05","01:10:55",""
"1568690","9.145","0.002","19.109","0.005","15.052","0.004","90","","98.006","0.006","90","","2604.7","1.1","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H28 F3 N O4 S Si -","- C26 H28 F3 N O4 S Si -","- C104 H112 F12 N4 O16 S4 Si4 -","4","2","","Lee, Donghyeon; Shintani, Ryo","Palladium-catalyzed synthesis of 4-sila-4<i>H</i>-benzo[<i>d</i>][1,3]oxazines by intramolecular Hiyama coupling.","Chemical science","2023","14","15","4114","4119","10.1039/d2sc06425a","","","0.71075","MoKα","","0.0645","0.0493","","","0.1167","0.1225","","","","","","0.989","","","","has coordinates","283182","2023-05-05","01:10:55",""
"1568691","12.8073","0.0011","12.8073","0.0011","11.5663","0.0014","90","","90","","120","","1643","0.3","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6GdTi3","","- C30 H30 Cl6 Gd Ti3 -","- C30 H30 Cl6 Gd Ti3 -","- C60 H60 Cl12 Gd2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0425","0.0356","","","0.0827","0.0889","","","","","","1.14","","","","has coordinates,has disorder","283166","2023-05-05","01:05:22",""
"1568692","12.7237","0.0004","12.7237","0.0004","11.3427","0.0005","90","","90","","120","","1590.28","0.1","100.15","","100.15","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6TbCl3","","- C30 H30 Cl6 Tb Ti3 -","- C30 H30 Cl6 Tb Ti3 -","- C60 H60 Cl12 Tb2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0317","0.0311","","","0.0776","0.0782","","","","","","1.042","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23",""
"1568693","12.7944","0.0003","21.4986","0.0005","12.9783","0.0003","90","","114.454","0.001","90","","3249.6","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","C30H30Cl6GdTi3","","- C30 H30 Cl6 Gd Ti3 -","- C30 H30 Cl6 Gd Ti3 -","- C120 H120 Cl24 Gd4 Ti12 -","4","1","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0234","0.0232","","","0.0584","0.0586","","","","","","1.117","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23",""
"1568694","12.8107","0.0018","12.8107","0.0018","11.571","0.002","90","","90","","120","","1644.6","0.4","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6Ti3Tb","","- C30 H30 Cl6 Tb Ti3 -","- C30 H30 Cl6 Tb Ti3 -","- C60 H60 Cl12 Tb2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0413","0.0338","","","0.083","0.09","","","","","","1.103","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23",""
"1568695","12.7286","0.0004","12.7286","0.0004","11.3424","0.0005","90","","90","","120","","1591.46","0.1","100","","100","","","","","","","","","5","P 63/m","-P 6c","176","","C30H30Cl6GdTi3","","- C30 H30 Cl6 Gd Ti3 -","- C30 H30 Cl6 Gd Ti3 -","- C60 H60 Cl12 Gd2 Ti6 -","2","0.166667","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0326","0.0305","","","0.0735","0.0742","","","","","","1.037","","","","has coordinates,has disorder","283166","2023-05-05","01:05:23",""
"1568696","12.7966","0.0008","21.465","0.0013","12.975","0.0007","90","","114.419","0.002","90","","3245.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","C30H30Cl6TbTi3","","- C30 H30 Cl6 Tb Ti3 -","- C30 H30 Cl6 Tb Ti3 -","- C120 H120 Cl24 Tb4 Ti12 -","4","1","","Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.","Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].","Chemical science","2023","14","16","4302","4307","10.1039/d2sc06263a","","x-ray","0.71073","MoKα","","0.0384","0.036","","","0.0929","0.095","","","","","","1.052","","","","has coordinates","283166","2023-05-05","01:05:23",""
"1568704","9.4276","0.0015","15.165","0.002","14.397","0.002","90","","98.778","0.008","90","","2034.2","0.5","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cl2 Mn N4 -","- C24 H16 Cl2 Mn N4 -","- C96 H64 Cl8 Mn4 N16 -","4","1","","Cai, Linxiang; Wang, Ying; Chen, Yayu; Chen, Hanhua; Yang, Tao; Zhang, Shuren; Guo, Zijian; Wang, Xiaoyong","Manganese(ii) complexes stimulate antitumor immunity <i>via</i> aggravating DNA damage and activating the cGAS-STING pathway.","Chemical science","2023","14","16","4375","4389","10.1039/d2sc06036a","","","1.34139","GaKα","","0.0932","0.0662","","","0.1771","0.2172","","","","","","1.037","","","","has coordinates","283165","2023-05-05","01:04:50",""
"1568706","10.1118","0.0012","10.1118","0.0012","18.832","0.003","90","","90","","120","","1667.6","0.4","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C24 H24 Fe N2 O6 -","- C24 H24 Fe N2 O6 -","- C72 H72 Fe3 N6 O18 -","3","1","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.1232","0.0609","","","0.0892","0.1075","","","","","","1.009","","","","has coordinates","283184","2023-05-05","01:11:20",""
"1568707","18.2429","0.0014","18.2429","0.0014","7.8233","0.0007","90","","90","","120","","2254.8","0.3","250","2","250","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C78 H84 Fe3 N6 O18 -","3","0.5","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.0933","0.0504","","","0.1213","0.1384","","","","","","1.04","","","","has coordinates,has disorder","283184","2023-05-05","01:11:30",""
"1568708","7.9614","0.0008","12.0601","0.0012","13.2291","0.0013","90.645","0.004","93.67","0.003","90.906","0.004","1267.3","0.2","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C52 H56 Fe2 N4 O12 -","2","1","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.7288","synchrotron","","0.0403","0.0326","","","0.0871","0.0914","","","","","","1.057","","","","has coordinates","283184","2023-05-05","01:11:30",""
"1568709","18.092","0.001","18.092","0.001","7.801","0.0004","90","","90","","120","","2211.3","0.2","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C26 H28 Fe N2 O6 -","- C26 H28 Fe N2 O6 -","- C78 H84 Fe3 N6 O18 -","3","0.5","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.0765","0.0525","","","0.1132","0.1232","","","","","","1.037","","","","has coordinates,has disorder","283184","2023-05-05","01:11:30",""
"1568710","10.248","0.002","10.248","0.002","19.033","0.004","90","","90","","120","","1731.1","0.6","250","2","250","2","","","","","","","","5","P 31","P 31","144","","","","- C24 H24 Fe N2 O6 -","- C24 H24 Fe N2 O6 -","- C72 H72 Fe3 N6 O18 -","3","1","","Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J.","Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.","Chemical science","2023","14","15","4083","4090","10.1039/d2sc06392a","","x-ray","0.71073","MoKα","","0.1867","0.0707","","","0.1051","0.1394","","","","","","1.012","","","","has coordinates","283184","2023-05-05","01:11:30",""
"1568711","12.4528","0.0003","9.0066","0.0003","20.1003","0.0006","90","","90.462","0.002","90","","2254.32","0.11","90","0.3","90","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 B N2 -","- C27 H31 B N2 -","- C108 H124 B4 N8 -","4","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0567","0.0445","","","0.1127","0.1194","","","","","","1.097","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568712","12.1599","0.0003","8.1094","0.0003","23.5966","0.0007","90","","101.497","0.003","90","","2280.16","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 B N O -","- C27 H34 B N O -","- C108 H136 B4 N4 O4 -","4","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0592","0.0469","","","0.1203","0.1274","","","","","","1.072","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568713","8.1627","0.0002","22.1971","0.0006","12.637","0.0004","90","","90.613","0.002","90","","2289.55","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 B N O -","- C27 H34 B N O -","- C108 H136 B4 N4 O4 -","4","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0564","0.0443","","","0.1143","0.1213","","","","","","1.066","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568714","9.551","0.0002","11.2401","0.0004","13.605","0.0003","75.998","0.002","84.321","0.002","80.055","0.002","1393.36","0.07","100","0.6","100","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C37 H36 B N -","- C37 H36 B N -","- C74 H72 B2 N2 -","2","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","x-ray","0.71073","MoKα","","0.0578","0.0462","","","0.1184","0.1247","","","","","","1.101","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568715","8.5734","0.0003","14.764","0.0005","15.258","0.0006","68.839","0.004","87.111","0.003","78.724","0.003","1765.9","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H41 B Cl3 D N2 -","- C40 H41 B Cl3 D N2 -","- C80 H82 B2 Cl6 D2 N4 -","2","1","","Ding, Huangting; Sun, Yitong; Tang, Meng; Wen, Jingyi; Yue, Shiwen; Peng, Ye; Li, Fei; Zheng, Liyan; Wang, Suning; Shi, Yonggang; Cao, Qiue","Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.","Chemical science","2023","14","17","4633","4640","10.1039/d3sc00568b","","","0.71073","MoKα","","0.1305","0.1117","","","0.3332","0.3422","","","","","","1.077","","","","has coordinates","284208","2023-06-05","03:54:13",""
"1568716","11.6462","0.0005","8.726","0.0004","16.7421","0.0008","90","","108.62","0.002","90","","1612.35","0.13","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H34 P2 Si -","- C40 H34 P2 Si -","- C80 H68 P4 Si2 -","2","1","","Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er","Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.","Chemical science","2023","14","17","4641","4646","10.1039/d2sc06349b","","","1.34139","GaKα","","0.0355","0.0316","","","0.0751","0.0778","","","","","","1.035","","","","has coordinates","284209","2023-06-05","03:54:36",""
"1568717","9.9943","0.0014","20.42","0.003","20.447","0.003","90","","90","","90","","4172.9","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 Cl6 P2 Pd Si -","- C42 H38 Cl6 P2 Pd Si -","- C168 H152 Cl24 P8 Pd4 Si4 -","4","1","","Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er","Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.","Chemical science","2023","14","17","4641","4646","10.1039/d2sc06349b","","","1.34139","GaKα","","0.0251","0.0238","","","0.0522","0.0528","","","","","","1.054","","","","has coordinates","284209","2023-06-05","03:54:38",""
"1568718","13.7107","0.0002","16.2983","0.0003","21.2715","0.0003","94.494","0.001","95.456","0.001","112.361","0.002","4342.02","0.14","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C104 H84 O8 -","- C104 H84 O8 -","- C208 H168 O16 -","2","1","","He, Jing; Yu, Mo-Han; Lian, Zhe; Fan, Yan-Qing; Guo, Sheng-Zhu; Li, Xiao-Nan; Wang, Ying; Wang, Wen-Guang; Cheng, Zhi-Yun; Jiang, Hua","Lemniscular carbon nanohoops with contiguous conjugation from planar chiral [2.2]paracyclophane: influence of the regioselective synthesis on topological chirality.","Chemical science","2023","14","16","4426","4433","10.1039/d2sc06825g","","x-ray","1.54184","CuKα","","0.1037","0.0913","","","0.22","0.2275","","","","","","1.104","","","","has coordinates","283163","2023-05-05","01:04:25",""
"1568719","15.8108","0.001","27.4612","0.0019","18.3586","0.0011","90","","104.885","0.007","90","","7703.5","0.9","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C99 H60 -","- C96 H60 -","- C384 H240 -","4","1","","He, Jing; Yu, Mo-Han; Lian, Zhe; Fan, Yan-Qing; Guo, Sheng-Zhu; Li, Xiao-Nan; Wang, Ying; Wang, Wen-Guang; Cheng, Zhi-Yun; Jiang, Hua","Lemniscular carbon nanohoops with contiguous conjugation from planar chiral [2.2]paracyclophane: influence of the regioselective synthesis on topological chirality.","Chemical science","2023","14","16","4426","4433","10.1039/d2sc06825g","","x-ray","1.54184","CuKα","","0.1494","0.0874","","","0.2233","0.2625","","","","","","0.925","","","","has coordinates","283163","2023-05-05","01:04:26",""
"1568720","6.94728","0.00004","13.79687","0.00007","22.55057","0.00013","90","","90","","90","","2161.49","0.02","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O2 -","- C27 H26 N2 O2 -","- C108 H104 N8 O8 -","4","1","","Zhu, Bing-Ke; Xu, Hui; Xiao, Lu; Chang, Xin; Wei, Liang; Teng, Huailong; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Enantio- and diastereodivergent synthesis of fused indolizines enabled by synergistic Cu/Ir catalysis.","Chemical science","2023","14","15","4134","4142","10.1039/d3sc00118k","","x-ray","1.54184","CuKα","","0.0268","0.0263","","","0.0668","0.0673","","","","","","1.03","","","","has coordinates","283180","2023-05-05","01:10:17",""
"1568725","20.718","0.002","9.01","0.0011","21.438","0.002","90","","92.285","0.003","90","","3998.6","0.7","298","2","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H80 Br4 N4 Ni2 -","- C86 H80 Br4 N4 Ni2 -","- C172 H160 Br8 N8 Ni4 -","2","0.5","","Yan, Zhengpeng; Zou, Wenping; Dai, Shengyu","Unexpected o-aryl tBu group effect on suppression of chain transfer in pyridine–imine Ni(ii) and Pd(ii) catalyzed ethylene (co)polymerization","Polymer Chemistry","2023","14","17","2107","2116","10.1039/D3PY00146F","","","0.71073","MoKα","","0.2689","0.1063","","","0.2299","0.283","","","","","","0.851","","","","has coordinates,has disorder","283511","2023-05-05","03:36:41",""
"1568726","11.2154","0.0016","11.8439","0.0018","14.4771","0.0019","73.502","0.011","80.941","0.011","78.858","0.012","1798.3","0.5","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H41 Cl N2 Pd -","- C43 H41 Cl N2 Pd -","- C86 H82 Cl2 N4 Pd2 -","2","1","","Yan, Zhengpeng; Zou, Wenping; Dai, Shengyu","Unexpected o-aryl tBu group effect on suppression of chain transfer in pyridine–imine Ni(ii) and Pd(ii) catalyzed ethylene (co)polymerization","Polymer Chemistry","2023","14","17","2107","2116","10.1039/D3PY00146F","","x-ray","1.54186","CuKα","","0.0937","0.0765","","","0.2127","0.2369","","","","","","1.116","","","","has coordinates","283511","2023-05-05","03:37:05",""
"1568727","9.5248","0.0004","27.3332","0.0015","17.6167","0.0012","90","","91.785","0.005","90","","4584.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H69 B2 K O2 -","- C50 H69 B2 K O2 -","- C200 H276 B8 K4 O8 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1024","0.0611","","","0.1471","0.1685","","","","","","1.013","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568728","9.8879","0.0012","14.446","0.002","16.292","0.003","115.332","0.015","91.157","0.011","102.693","0.011","2034.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58 B Cl Si -","- C46.003 H58.009 B Cl Si -","- C92.006 H116.018 B2 Cl2 Si2 -","2","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1227","0.0705","","","0.1721","0.2006","","","","","","1.034","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568729","14.9715","0.0005","21.0575","0.0004","17.4635","0.0005","90","","114.563","0.004","90","","5007.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 B2 K O2 -","- C54 H77 B2 K O2 -","- C216 H308 B8 K4 O8 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0668","0.0554","","","0.1404","0.1481","","","","","","1.05","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568730","17.759","0.0009","21.4676","0.0011","28.6119","0.0016","90","","104.031","0.006","90","","10582.6","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H160 B4 K2 O7 -","- C110 H160 B4 K2 O7 -","- C440 H640 B16 K8 O28 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1141","0.0815","","","0.2193","0.248","","","","","","1.02","","","","has coordinates","284207","2023-06-05","03:53:47",""
"1568731","11.9232","0.0008","19.4217","0.0013","25.512","0.002","90","","91.836","0.008","90","","5904.8","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H93 B2 Li O4 -","- C62 H93 B2 Li O4 -","- C248 H372 B8 Li4 O16 -","4","2","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1579","0.0616","","","0.1093","0.1214","","","","","","0.749","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568732","11.9435","0.0008","24.517","0.002","15.0825","0.0012","90","","103.854","0.008","90","","4288","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 B Cl Si -","- C46 H60 B Cl Si -","- C184 H240 B4 Cl4 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1199","0.0582","","","0.1051","0.1271","","","","","","0.956","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568733","14.8477","0.0007","14.9915","0.0007","22.6511","0.0012","90","","100.094","0.004","90","","4963.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H75 B Cl O2.5 Si -","- C52 H75 B Cl O2.5 Si -","- C208 H300 B4 Cl4 O10 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0935","0.071","","","0.1709","0.1906","","","","","","1.163","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568734","14.9707","0.0012","21.1115","0.0013","17.2101","0.0016","90","","113.427","0.01","90","","4990.9","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H75 B2 K O2 -","- C54 H75 B2 K O2 -","- C216 H300 B8 K4 O8 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0893","0.0548","","","0.1293","0.147","","","","","","0.985","","","","has coordinates,has disorder","284207","2023-06-05","03:53:47",""
"1568735","9.8384","0.0007","14.6699","0.0011","17.434","0.0013","92.485","0.006","98.376","0.006","102.215","0.006","2425.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H69 B Cl Si -","- C55 H69 B Cl Si -","- C110 H138 B2 Cl2 Si2 -","2","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1526","0.0749","","","0.1536","0.189","","","","","","1.014","","","","has coordinates","284207","2023-06-05","03:53:47",""
"1568736","9.6488","0.0004","12.5511","0.0005","27.859","0.001","90","","96.072","0.004","90","","3354.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 B Cl Si -","- C38 H44 B Cl Si -","- C152 H176 B4 Cl4 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.0798","0.048","","","0.1078","0.1222","","","","","","1.012","","","","has coordinates","284207","2023-06-05","03:53:47",""
"1568737","17.8","0.0007","14.6788","0.0005","19.2967","0.0007","90","","96.263","0.003","90","","5011.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H77 B O3 Si -","- C54 H77 B O3 Si -","- C216 H308 B4 O12 Si4 -","4","1","","Gilmer, Jannik; Trageser, Timo; Čaić, Luis; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Catalyst-free diboration and silaboration of alkenes and alkynes using bis(9-heterofluorenyl)s.","Chemical science","2023","14","17","4589","4596","10.1039/d3sc01395b","","","0.71073","MoKα","","0.1217","0.0647","","","0.1659","0.1806","","","","","","0.863","","","","has coordinates","284207","2023-06-05","03:53:47",""
"1568738","20.34","0.005","11.791","0.003","22.744","0.006","90","","90","","90","","5455","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H39 B Si2 -","- C27 H39 B Si2 -","- C216 H312 B8 Si16 -","8","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0468","0.0382","","","0.1064","0.114","","","","","","1.073","","","","has coordinates","284214","2023-06-05","03:57:31",""
"1568739","11.975","0.002","14.7","0.003","14.916","0.003","90.82","0.003","103.725","0.003","90.717","0.003","2550.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H166 B2 Si4 -","- C103.988 H165.972 B2 Si4 -","- C103.988 H165.972 B2 Si4 -","1","0.5","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0691","0.0576","","","0.152","0.1608","","","","","","1.084","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34",""
"1568740","23.592","0.003","15.0926","0.0017","22.907","0.003","90","","118.969","0.002","90","","7135.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 B Cl2 Si3 -","- C34 H45 B Cl2 Si3 -","- C272 H360 B8 Cl16 Si24 -","8","2","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0425","0.0372","","","0.0939","0.0979","","","","","","1.031","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568741","8.7268","0.0004","11.9752","0.0005","16.8842","0.0008","72.238","0.002","79.568","0.002","73.411","0.002","1601.88","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H45 B Si2 -","- C34 H45 B Si2 -","- C68 H90 B2 Si4 -","2","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0437","0.0419","","","0.1174","0.1191","","","","","","1.056","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568742","12.085","0.002","21.926","0.004","22.008","0.004","76.903","0.003","74.67","0.003","83.086","0.003","5466.4","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H81 B Cl2 Si3 -","- C52 H81 B Cl2 Si3 -","- C208 H324 B4 Cl8 Si12 -","4","2","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0743","0.0478","","","0.1028","0.1143","","","","","","1.001","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568743","17.122","0.0014","15.7803","0.0013","20.5144","0.0017","90","","91.669","0.001","90","","5540.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H72 B Cl3 N2 Si3 -","- C53 H72 B Cl3 N2 Si3 -","- C212 H288 B4 Cl12 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.045","0.0348","","","0.0891","0.0968","","","","","","1.026","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568744","9.8784","0.0009","21.109","0.002","26.089","0.002","90","","93.79","0.002","90","","5428.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H81 B Cl2 N2 Si3 -","- C53 H81 B Cl2 N2 Si3 -","- C212 H324 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0698","0.0456","","","0.098","0.1095","","","","","","1.028","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568745","10.726","0.003","30.19","0.009","24.137","0.008","90","","98.286","0.005","90","","7734","4","100","1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H117 B Cl2 N2 Si3 -","- C79 H117 B Cl2 N2 Si3 -","- C316 H468 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.1046","0.0643","","","0.1678","0.1888","","","","","","1.026","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34",""
"1568746","11.9105","0.0007","20.2221","0.0009","14.3115","0.0007","90","","103.638","0.004","90","","3349.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 B Si3 -","- C34 H45 B Si3 -","- C136 H180 B4 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0657","0.0484","","","0.127","0.1341","","","","","","1.092","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34",""
"1568747","17.1027","0.0009","15.8004","0.0008","20.5088","0.0011","90","","91.84","0.003","90","","5539.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H75 B Cl2 N2 Si3 -","- C54 H75 B Cl2 N2 Si3 -","- C216 H300 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.046","0.0341","","","0.0881","0.0964","","","","","","1.021","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568748","15.9046","0.0013","16.4022","0.0014","23.053","0.002","90","","90","","90","","6013.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H81 B Cl2 N2 Si3 -","- C61 H81 B Cl2 N2 Si3 -","- C244 H324 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0422","0.0346","","","0.0802","0.0843","","","","","","1.045","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568749","14.8214","0.0011","26.3082","0.0018","17.7522","0.0013","90","","110.179","0.001","90","","6497.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H101.5 B N2 O0.25 Si3 -","- C67 H101.5 B N2 O0.25 Si3 -","- C268 H406 B4 N8 O Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0821","0.0503","","","0.1099","0.1269","","","","","","1.039","","","","has coordinates,has disorder","284214","2023-06-05","03:57:34",""
"1568754","10.221","0.003","12.581","0.003","13.333","0.004","90","","90","","90","","1714.5","0.8","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0592","0.0424","","","0.0942","0.1007","","","","","","1.069","","","","has coordinates","284236","2023-06-05","04:07:59",""
"1568755","10.105","0.002","8.9547","0.0018","10.215","0.002","90","","110.038","0.01","90","","868.4","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C40 H42 N2 O8 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0446","0.0415","","","0.1027","0.1048","","","","","","1.074","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00",""
"1568756","34.102","0.005","14.485","0.002","6.6087","0.0011","90","","94.96","0.01","90","","3252.3","0.9","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16.19 H20.19 Cl1.59 O5.5 -","- C16.1895 H20.1894 Cl1.5685 O5.5 -","- C129.516 H161.515 Cl12.548 O44 -","8","2","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0969","0.084","","","0.2207","0.2291","","","","","","1.065","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00",""
"1568757","6.7649","0.0005","10.9273","0.0009","14.4629","0.0014","90","","103.394","0.005","90","","1040.05","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 O4 Si -","- C24 H30 O4 Si -","- C48 H60 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0893","0.088","","","0.2288","0.2312","","","","","","1.071","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568758","9.0245","0.0013","13.383","0.002","16.329","0.003","90","","90","","90","","1972.1","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O9 -","- C19 H32 O9 -","- C76 H128 O36 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0315","0.0314","","","0.0874","0.0875","","","","","","1.087","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568759","6.3347","0.0003","12.3768","0.0005","30.9537","0.0013","90","","90","","90","","2426.87","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O4 Si -","- C25 H38 O4 Si -","- C100 H152 O16 Si4 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0341","0.0315","","","0.0776","0.0795","","","","","","1.045","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568760","6.1878","0.0004","14.9676","0.0014","17.511","0.002","90","","90","","90","","1621.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0369","0.0353","","","0.0889","0.0906","","","","","","1.048","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568761","7.267","0.003","9.667","0.003","15.436","0.004","90","","99.237","0.016","90","","1070.3","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 O4.16 Si -","- C24 H30 O4.166 Si -","- C48 H60 O8.332 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0494","0.0392","","","0.0861","0.0897","","","","","","1.024","","","","has coordinates,has disorder","284236","2023-06-05","04:08:00",""
"1568762","6.9085","0.0014","10.3765","0.0019","17.058","0.003","90","","90.92","0.007","90","","1222.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H34 O4 Si -","- C27 H34 O4 Si -","- C54 H68 O8 Si2 -","2","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0511","0.0401","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568763","27.6163","0.0005","45.0146","0.0005","28.506","0.0004","90","","112.072","0.002","90","","32839.8","1","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C599 H792 F48 N40 O139 P8 -","- C599 H792 F48 N40 O139 P8 -","- C1198 H1584 F96 N80 O278 P16 -","2","0.5","","Zhong, Yulong; Sobiech, Thomas A.; Kauffmann, Brice; Song, Bo; Li, Xiaopeng; Ferrand, Yann; Huc, Ivan; Gong, Bing","High-affinity single and double helical pseudofoldaxanes with cationic guests.","Chemical science","2023","14","18","4759","4768","10.1039/d3sc00524k","","","1.54178","CuKα","","0.1605","0.1342","","","0.4","0.4258","","","","","","1.726","","","","has coordinates,has disorder","284235","2023-06-05","04:07:42",""
"1568764","41.464","0.002","37.476","0.002","43.38","0.002","90","","99.771","0.005","90","","66431","6","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C448 H312 F42 N40 O126 P7 -","- C448 H312 F42 N40 O126 P7 -","- C1792 H1248 F168 N160 O504 P28 -","4","0.5","","Zhong, Yulong; Sobiech, Thomas A.; Kauffmann, Brice; Song, Bo; Li, Xiaopeng; Ferrand, Yann; Huc, Ivan; Gong, Bing","High-affinity single and double helical pseudofoldaxanes with cationic guests.","Chemical science","2023","14","18","4759","4768","10.1039/d3sc00524k","","","1.54178","CuKα","","0.2999","0.221","","","0.5107","0.5612","","","","","","1.81","","","","has coordinates","284235","2023-06-05","04:07:43",""
"1568769","16.619","0.003","16.619","0.003","31.843","0.01","90","","90","","90","","8795","4","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C28 H21 Cu F6 N8 O4 Ti -","- C28 H21 Cu F6 N8 O4 Ti -","- C224 H168 Cu8 F48 N64 O32 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1176","0.0726","","","0.1992","0.2299","","","","","","1.112","","","","has coordinates,has disorder","283194","2023-05-05","01:16:14",""
"1568770","16.567","0.002","16.567","0.002","31.995","0.009","90","","90","","90","","8782","3","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C27 H22 Cu F6 N8 O4 Ti -","- C27 H22 Cu F6 N8 O4 Ti -","- C216 H176 Cu8 F48 N64 O32 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1373","0.0706","","","0.1679","0.1887","","","","","","1.072","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568771","16.5421","0.0004","16.5421","0.0004","31.7992","0.0014","90","","90","","90","","8701.6","0.5","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H28 Cu F6 N8 O8 Ti -","- C26 H28 Cu F6 N8 O8 Ti -","- C208 H224 Cu8 F48 N64 O64 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.0927","0.0773","","","0.227","0.2419","","","","","","1.083","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568772","16.848","0.005","16.848","0.005","31.093","0.017","90","","90","","90","","8826","6","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 Cu F6 N8 O4 Zr -","- C26 H20 Cu F6 N8 O4 Zr -","- C208 H160 Cu8 F48 N64 O32 Zr8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.0957","0.0583","","","0.1196","0.1283","","","","","","1.041","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568773","16.748","0.01","16.748","0.01","32.24","0.05","90","","90","","90","","9043","16","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 Cu F6 N8 O4 Ti -","- C26 H20 Cu F6 N8 O4 Ti -","- C208 H160 Cu8 F48 N64 O32 Ti8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1083","0.0604","","","0.1118","0.1211","","","","","","1.045","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568774","16.228","0.004","16.228","0.004","32.536","0.018","90","","90","","90","","8568","6","296","2","296","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 Cu F6 N8 O4 Si -","- C26 H20 Cu F6 N8 O4 Si -","- C208 H160 Cu8 F48 N64 O32 Si8 -","8","0.5","","Duan, Yuefeng; Huang, Yuhang; Wang, Chongqing; Wang, Qian; Ge, Kai; Lu, Zhiyong; Wang, Huijie; Duan, Jingui; Bai, Junfeng; Jin, Wanqin","Formation and fine-tuning of metal–organic frameworks with carboxylic pincers for the recognition of a C2H2 tetramer and highly selective separation of C2H2/C2H4","Chemical Science","2023","14","17","4605","4611","10.1039/D3SC00877K","","","0.71073","MoKα","","0.1293","0.0804","","","0.1806","0.2001","","","","","","1.04","","","","has coordinates","283194","2023-05-05","01:16:16",""
"1568775","16.034","0.002","23.766","0.003","11.388","0.003","90","","108.155","0.002","90","","4123.5","1.3","150","","150.01","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C50 H106 Au6 Cl8 Ga4 P6 -","- C50 H106 Au6 Cl8 Ga4 P6 -","- C100 H212 Au12 Cl16 Ga8 P12 -","2","0.25","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","0.71073","MoKα","","0.0637","0.0391","","","0.0882","0.1025","","","","","","1.043","","","","has coordinates,has disorder","283146","2023-05-05","00:48:14",""
"1568776","13.0624","0.001","15.2056","0.0011","21.0776","0.0016","92.022","0.002","98.393","0.002","91.024","0.002","4137.9","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H126 Au7 Cl6 Ga3 P6 -","- C54 H126 Au7 Cl6 Ga3 P6 -","- C108 H252 Au14 Cl12 Ga6 P12 -","2","1","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","0.71073","MoKα","","0.0472","0.0313","","","0.0681","0.0786","","","","","","1.076","","","","has coordinates,has disorder","283146","2023-05-05","00:48:16",""
"1568777","17.9369","0.0002","29.9431","0.0003","26.0812","0.0003","90","","99.9143","0.0012","90","","13798.7","0.3","100","0.13","100","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H207 Au13 Cl11 Ga6 P9 -","- C90 H207 Au13 Cl11 Ga6 P9 -","- C360 H828 Au52 Cl44 Ga24 P36 -","4","1","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","1.54184","CuKα","","0.0745","0.0526","","","0.127","0.1436","","","","","","1.054","","","","has coordinates,has disorder","283146","2023-05-05","00:48:16",""
"1568778","16.1624","0.0005","27.8938","0.0008","28.6686","0.001","90","","94.586","0.001","90","","12883.3","0.7","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H189 Au13 Cl10 Ga5 P9 -","- C81 H189 Au13 Cl10 Ga5 P9 -","- C324 H756 Au52 Cl40 Ga20 P36 -","4","1","","Strienz, Markus; Fetzer, Florian; Schnepf, Andreas","Synthesis and characterisation of four bimetallic gold–gallium clusters with Au–Ga rings as a new structural motif in gold cluster chemistry","Chemical Science","2023","14","17","4571","4579","10.1039/D2SC06908C","","x-ray","0.71073","MoKα","","0.0619","0.0338","","","0.0637","0.0771","","","","","","1.08","","","","has coordinates,has disorder","283146","2023-05-05","00:48:16",""
"1568779","25.7587","0.0004","7.7074","0.0001","16.144","0.0003","90","","92.5083","0.0006","90","","3202.04","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 F3 N2 O4 S -","- C14 H15 F3 N2 O4 S -","- C112 H120 F24 N16 O32 S8 -","8","1","","Mavroskoufis, Andreas; Lohani, Manish; Weber, Manuela; Hopkinson, Matthew N.; Götze, Jan P","A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels-Alder reaction of acid fluorides catalyzed by <i>N</i>-heterocyclic carbenes.","Chemical science","2023","14","15","4027","4037","10.1039/d2sc04732b","","","0.71073","MoKα","","0.039","0.0357","","","0.089","0.0912","","","","","","1.059","","","","has coordinates","283179","2023-05-05","01:10:00",""
"1568780","9.6916","0.0002","13.1235","0.0002","13.3856","0.0002","90","","97.0695","0.0007","90","","1689.54","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 F3 O2 -","- C22 H15 F3 O2 -","- C88 H60 F12 O8 -","4","1","","Mavroskoufis, Andreas; Lohani, Manish; Weber, Manuela; Hopkinson, Matthew N.; Götze, Jan P","A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels-Alder reaction of acid fluorides catalyzed by <i>N</i>-heterocyclic carbenes.","Chemical science","2023","14","15","4027","4037","10.1039/d2sc04732b","","","0.71073","MoKα","","0.0355","0.0326","","","0.0796","0.0818","","","","","","1.066","","","","has coordinates","283179","2023-05-05","01:10:00",""
"1568781","9.2422","0.0007","11.4334","0.0007","14.3847","0.0012","87.244","0.002","72.344","0.002","78.948","0.001","1421.48","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 F3 O2 -","- C17 H13 F3 O2 -","- C68 H52 F12 O8 -","4","2","","Mavroskoufis, Andreas; Lohani, Manish; Weber, Manuela; Hopkinson, Matthew N.; Götze, Jan P","A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels-Alder reaction of acid fluorides catalyzed by <i>N</i>-heterocyclic carbenes.","Chemical science","2023","14","15","4027","4037","10.1039/d2sc04732b","","","1.54178","CuKα","","0.037","0.0362","","","0.0903","0.0909","","","","","","1.1","","","","has coordinates","283179","2023-05-05","01:10:00",""
"1568798","22.2542","0.0005","13.9368","0.0004","11.6414","0.0003","90","","108.465","0.001","90","","3424.72","0.15","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Bi Br2 N3 Si2 -","- C30 H48 Bi Br2 N3 Si2 -","- C120 H192 Bi4 Br8 N12 Si8 -","4","0.5","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.1586","0.1511","","","0.386","0.4076","","","","","","1.842","","","","has coordinates","283144","2023-05-05","00:45:47",""
"1568799","9.6987","0.0008","11.0671","0.0009","13.5493","0.0012","109.747","0.003","92.089","0.003","104.352","0.003","1314.5","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Bi2 Br4 N6 Si4 -","- C36 H48 Bi2 Br4 N6 Si4 -","- C36 H48 Bi2 Br4 N6 Si4 -","1","0.5","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.0756","0.066","","","0.1736","0.184","","","","","","1.024","","","","has coordinates","283144","2023-05-05","00:45:47",""
"1568800","11.0336","0.0014","12.7111","0.0018","17.108","0.002","81.082","0.006","79.522","0.005","65.058","0.005","2131.1","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H57 Bi N3 O4 S2 -","- C45 H57 Bi N3 O4 S2 -","- C90 H114 Bi2 N6 O8 S4 -","2","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","0.71073","MoKα","","0.072","0.0503","","","0.1146","0.1335","","","","","","1.115","","","","has coordinates","283144","2023-05-05","00:45:47",""
"1568801","33.0206","0.001","10.3986","0.0003","29.787","0.0009","90","","90","","90","","10227.9","0.5","150","2","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C49 H75 Bi N5 O4 S2 -","- C49 H75 Bi N5 O4 S2 -","- C392 H600 Bi8 N40 O32 S16 -","8","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","1.54178","CuKα","","0.0376","0.0319","","","0.0695","0.0755","","","","","","1.102","","","","has coordinates,has disorder","283144","2023-05-05","00:45:47",""
"1568802","16.4085","0.0016","18.924","0.0019","19.8569","0.0019","83.424","0.004","89.804","0.004","66.363","0.004","5605.3","1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C112 H132 Bi2 Br4 N8 O8 S4 -","- C100 H120 Bi2 Br4 N8 O8 S4 -","- C200 H240 Bi4 Br8 N16 O16 S8 -","2","1","","Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.","Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis","Chemical Science","2023","14","17","4549","4563","10.1039/D3SC00917C","","","0.71073","MoKα","","0.0776","0.0528","","","0.1372","0.1674","","","","","","1.111","","","","has coordinates","283144","2023-05-05","00:45:47",""
"1568803","8.4705","0.0001","17.9094","0.0003","20.2338","0.0003","90","","90","","90","","3069.5","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(NDipp)2(CMe)2(C5H3N)]Co(CCH)","","- C35 H44 Co N3 -","- C35 H44 Co N3 -","- C140 H176 Co4 N12 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","0.71073","MoKα","","0.0484","0.0364","","","0.0721","0.0769","","","","","","1.068","","","","has coordinates","283145","2023-05-05","00:47:27",""
"1568804","10.4302","0.0001","24.0268","0.0002","12.3185","0.0001","90","","93.201","0.001","90","","3082.25","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[(NDipp)2(CMe)2(C5H3N)]Rh(CCH)","","- C35 H44 N3 Rh -","- C35 H44 N3 Rh -","- C140 H176 N12 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0302","0.0292","","","0.0741","0.0748","","","","","","1.102","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568805","12.9433","0.0002","15.1992","0.0003","20.7647","0.0003","76.385","0.002","79.845","0.002","87.162","0.002","3907.87","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{[(NDipp)2(CMe)2(C5H3N)]Co(CNtBu)2}[BArF4]","","- C75 H73 B Co F24 N5 -","- C75 H73 B Co F24 N5 -","- C150 H146 B2 Co2 F48 N10 -","2","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0609","0.0522","","","0.1383","0.147","","","","","","1.044","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568806","11.7885","0.0001","16.6101","0.0002","18.5455","0.0002","90","","99.763","0.001","90","","3578.77","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Na(THF)[(NDipp)2(CMe)(CCH2)(C5H3N)]Co(CCH)","","- C39 H51 Co N3 Na O -","- C39 H51 Co N3 Na O -","- C156 H204 Co4 N12 Na4 O4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.034","0.0301","","","0.0806","0.0831","","","","","","1.037","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568807","8.4966","0.0001","17.9973","0.0002","20.3635","0.0002","90","","90","","90","","3113.9","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(NDipp)2(CMe)2(C5H3N)]Rh(CP)","","- C34 H43 N3 P Rh -","- C34 H43 N3 P Rh -","- C136 H172 N12 P4 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0225","0.0214","","","0.0562","0.0569","","","","","","1.068","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568808","17.4943","0.0005","17.8665","0.0006","22.1081","0.0006","90","","104.528","0.003","90","","6689.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{[(NDipp)2(CMe)2(C5H3N)]Co(CO)}[BArF4]","","- C66 H55 B Co F24 N3 O -","- C66 H55 B Co F24 N3 O -","- C264 H220 B4 Co4 F96 N12 O4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","0.71073","MoKα","","0.0924","0.0614","","","0.1531","0.166","","","","","","1.061","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568809","14.3644","0.0002","15.5532","0.0002","16.5724","0.0002","91.085","0.001","102.787","0.001","99.37","0.001","3556.66","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{[(NDipp)2(CMe)2(C5H3N)]Co(CNtBu)}[BArF4]","","- C70 H64 B Co F24 N4 -","- C70 H64 B Co F24 N4 -","- C140 H128 B2 Co2 F48 N8 -","2","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0485","0.0458","","","0.1242","0.1266","","","","","","1.077","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568810","14.4106","0.0004","15.5555","0.0003","16.6974","0.0005","90.441","0.002","103.544","0.002","100.297","0.002","3575.45","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","{[(NDipp)2(CMe)2(C5H3N)]Rh(CNtBu)}[BArF4]","","- C70 H64 B F24 N4 Rh -","- C70 H64 B F24 N4 Rh -","- C140 H128 B2 F48 N8 Rh2 -","2","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0447","0.0417","","","0.1085","0.1117","","","","","","1.019","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568811","17.514","0.0001","17.7479","0.0001","22.3688","0.0001","90","","104.161","0.001","90","","6741.76","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{[(NDipp)2(CMe)2(C5H3N)]Rh(CO)}[BArF4]","","- C66 H55 B F24 N3 O Rh -","- C66 H55 B F24 N3 O Rh -","- C264 H220 B4 F96 N12 O4 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0459","0.0411","","","0.108","0.1128","","","","","","1.06","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568812","17.5964","0.0002","17.6516","0.0002","22.6324","0.0002","90","","104.783","0.001","90","","6797.04","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{[(NDipp)2(CMe)2(C5H3N)]Rh(C2H4)}[BArF4]","","- C67 H59 B F24 N3 Rh -","- C67 H59 B F24 N3 Rh -","- C268 H236 B4 F96 N12 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0546","0.0477","","","0.1286","0.1366","","","","","","1.039","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568813","16.0874","0.0011","16.5041","0.001","17.143","0.0008","86.593","0.004","64.6","0.005","61.518","0.007","3553.1","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","[(NDipp)2(CMe)2(C5H3N)]RhMe","","- C37.25 H51.5 N3 Rh -","- C37.25 H51.5 N3 Rh -","- C149 H206 N12 Rh4 -","4","2","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0742","0.0574","","","0.149","0.1693","","","","","","1.031","","","","has coordinates,has disorder","283145","2023-05-05","00:47:30",""
"1568814","17.3674","0.0001","29.7047","0.0002","23.9524","0.0001","90","","90","","90","","12356.9","0.12","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","{(NDipp)2(CMe)2(C5H3N)}RhCl*1.333THF*0.666pent","","- C41.666 H61.666 Cl N3 O1.333 Rh -","- C41.6667 H61.6667 Cl N3 O1.33333 Rh -","- C500 H740 Cl12 N36 O16 Rh12 -","12","1.5","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0415","0.038","","","0.0981","0.102","","","","","","1.036","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568828","13.3846","0.0008","6.8793","0.0004","14.7878","0.0008","90","","103.033","0.003","90","","1326.54","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Abel-Snape, Xavier; Johnson, Colton E.; Imbriaco, Bianca; Lautens, Mark","Synthesis of spirooxindoles <i>via</i> formal acetylene insertion into a common palladacycle intermediate.","Chemical science","2023","14","21","5650","5655","10.1039/d3sc01072d","","","1.54178","CuKα","","0.0384","0.0346","","","0.0881","0.09","","","","","","1.041","","","","has coordinates","284249","2023-06-05","04:14:43",""
"1568829","15.0119","0.0006","9.3425","0.0003","19.524","0.0008","90","","99.233","0.003","90","","2702.74","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl N O6 -","- C32 H26 Cl N O6 -","- C128 H104 Cl4 N4 O24 -","4","1","","Abel-Snape, Xavier; Johnson, Colton E.; Imbriaco, Bianca; Lautens, Mark","Synthesis of spirooxindoles <i>via</i> formal acetylene insertion into a common palladacycle intermediate.","Chemical science","2023","14","21","5650","5655","10.1039/d3sc01072d","","","1.54178","CuKα","","0.0875","0.0523","","","0.1228","0.1426","","","","","","1.023","","","","has coordinates,has disorder","284249","2023-06-05","04:14:46",""
"1568831","9.5629","0.0003","15.6651","0.0005","16.4537","0.0004","94.212","0.002","100.25","0.002","100.06","0.003","2374.26","0.12","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 Au N2 -","- C27 H31 Au N2 -","- C108 H124 Au4 N8 -","4","2","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0577","0.0485","","","0.1209","0.1298","","","","","","1.0687","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568832","16.0425","0.0001","12.1872","0.0001","20.8413","0.0002","90","","97.682","0.001","90","","4038.18","0.06","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Au F10 I2 N3 -","- C38 H30 Au F10 I2 N3 -","- C152 H120 Au4 F40 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0881","0.089","","","","","","1.0399","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568833","16.7868","0.0003","12.3101","0.0002","17.1432","0.0003","90","","103.35","0.002","90","","3446.87","0.11","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Au F4 I2 N3 -","- C32 H30 Au F4 I2 N3 -","- C128 H120 Au4 F16 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0497","0.0477","","","0.1317","0.134","","","","","","1.0204","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568834","10.9926","0.0002","16.4651","0.0003","18.3046","0.0003","90","","94.072","0.002","90","","3304.66","0.1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H45 Au Cl2 N2 -","- C34 H45 Au Cl2 N2 -","- C136 H180 Au4 Cl8 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0498","0.0441","","","0.1163","0.1212","","","","","","1.0118","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568835","8.2965","0.0002","11.9629","0.0003","16.0732","0.0003","89.314","0.002","78.497","0.002","87.861","0.002","1562.12","0.06","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H39 Au N3 -","- C35 H39 Au N3 -","- C70 H78 Au2 N6 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0461","0.0444","","","0.1145","0.116","","","","","","1.0401","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568836","11.7863","0.0001","15.7956","0.0001","14.4268","0.0001","90","","94.919","0.001","90","","2675.97","0.03","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Au N2 -","- C30 H37 Au N2 -","- C120 H148 Au4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0297","0.0271","","","0.067","0.0686","","","","","","1.031","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568837","16.69467","0.00019","12.23706","0.00011","16.78001","0.00016","90","","104.225","0.0011","90","","3322.94","0.06","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Au F4 I2 N3 -","- C32 H30 Au F4 I2 N3 -","- C128 H120 Au4 F16 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0376","0.0371","","","0.0958","0.0964","","","","","","1.0498","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568838","17.4227","0.0001","14.0371","0.0001","43.5602","0.0004","90","","90","","90","","10653.3","0.14","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Au N2 -","- C29 H35 Au N2 -","- C464 H560 Au16 N32 -","16","2","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0412","0.0351","","","0.0883","0.0924","","","","","","1.045","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568839","16.509","0.0003","12.9598","0.0002","16.9009","0.0002","90","","105.088","0.002","90","","3491.35","0.1","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 Au F4 I2 N2 -","- C35 H35 Au F4 I2 N2 -","- C140 H140 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0361","0.0345","","","0.0884","0.0898","","","","","","1.0288","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568840","13.0739","0.0001","14.95","0.0001","20.4687","0.0002","90","","104.803","0.001","90","","3867.92","0.06","133","","133","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C156 H172 Au4 F16 I8 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0301","0.0279","","","0.0737","0.0753","","","","","","1.03","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568841","9.6128","0.0005","10.8509","0.0003","17.3973","0.0004","88.55","0.002","79.264","0.003","67.884","0.004","1649.72","0.12","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Au F5 I N2 -","- C35 H35 Au F5 I N2 -","- C70 H70 Au2 F10 I2 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0535","0.0501","","","0.1379","0.1418","","","","","","1.0264","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568842","16.3119","0.0002","13.8965","0.0001","16.6717","0.0002","90","","106.95","0.001","90","","3614.95","0.07","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 Au F4 I2 N2 -","- C36 H37 Au F4 I2 N2 -","- C144 H148 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0341","0.0337","","","0.0882","0.0887","","","","","","1.0411","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568843","18.47467","0.00018","10.43735","0.00009","17.53427","0.00017","90","","107.246","0.001","90","","3229.06","0.06","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Au F5 I N2 -","- C33 H31 Au F5 I N2 -","- C132 H124 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0423","0.0367","","","0.1","0.1045","","","","","","0.9977","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568844","16.4431","0.0001","13.9767","0.0001","16.9424","0.0001","90","","105.866","0.001","90","","3745.37","0.05","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 Au F4 I2 N2 -","- C36 H37 Au F4 I2 N2 -","- C144 H148 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0385","0.0378","","","0.0981","0.0991","","","","","","1.0385","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568845","11.32485","0.00005","13.6215","0.00007","23.47007","0.00011","90","","96.4045","0.0004","90","","3597.93","0.03","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au F5 I N2 -","- C36 H37 Au F5 I N2 -","- C144 H148 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0244","0.0234","","","0.0584","0.059","","","","","","1.0468","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568846","10.3982","0.0001","10.703","0.0001","17.5621","0.0002","74.354","0.001","81.135","0.001","79.723","0.001","1840.28","0.03","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Au Cl2 F4 I2 N2 -","- C34 H33 Au Cl2 F4 I2 N2 -","- C68 H66 Au2 Cl4 F8 I4 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0479","0.0456","","","0.1153","0.1174","","","","","","1.0062","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568847","18.3269","0.0002","10.2984","0.0001","17.2337","0.0001","90","","106.86","0.001","90","","3112.84","0.05","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Au F5 I N2 -","- C33 H31 Au F5 I N2 -","- C132 H124 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0367","0.0344","","","0.0956","0.0977","","","","","","1.0305","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568848","10.7939","0.0001","15.2361","0.0001","13.1834","0.0001","90","","111.731","0.001","90","","2014.02","0.03","293","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C78 H86 Au2 F8 I4 N4 -","2","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0389","0.037","","","0.0992","0.101","","","","","","1.0208","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568849","16.66","0.0001","13.0052","0.0001","17.1537","0.0001","90","","104.197","0.001","90","","3603.12","0.04","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 Au F4 I2 N2 -","- C35 H35 Au F4 I2 N2 -","- C140 H140 Au4 F16 I8 N8 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0233","0.0225","","","0.057","0.0575","","","","","","1.0512","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568850","9.7941","0.0004","10.9878","0.0004","17.6423","0.0003","88.379","0.002","78.949","0.003","67.222","0.004","1715.85","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Au F5 I N2 -","- C35 H35 Au F5 I N2 -","- C70 H70 Au2 F10 I2 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0667","0.0608","","","0.1701","0.1768","","","","","","0.9977","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568851","13.0387","0.0003","14.9567","0.0002","20.4774","0.0004","90","","104.695","0.002","90","","3862.79","0.13","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 Au F4 I2 N2 -","- C39 H43 Au F4 I2 N2 -","- C156 H172 Au4 F16 I8 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0607","0.0514","","","0.1349","0.1426","","","","","","1.0198","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568852","11.4633","0.00005","13.75475","0.00006","23.61408","0.0001","90","","96.0965","0.0004","90","","3702.29","0.03","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au F5 I N2 -","- C36 H37 Au F5 I N2 -","- C144 H148 Au4 F20 I4 N8 -","4","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0284","0.0261","","","0.0687","0.0702","","","","","","1.0238","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568853","10.3331","0.0002","10.6351","0.0002","17.2876","0.0003","74.096","0.001","80.819","0.001","78.995","0.001","1781.87","0.06","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Au Cl2 F4 I2 N2 -","- C34 H33 Au Cl2 F4 I2 N2 -","- C68 H66 Au2 Cl4 F8 I4 N4 -","2","1","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0406","0.0399","","","0.1033","0.1041","","","","","","1.0407","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568854","15.9833","0.0002","12.141","0.0001","20.265","0.0002","90","","97.592","0.001","90","","3898.02","0.07","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Au F10 I2 N3 -","- C38 H30 Au F10 I2 N3 -","- C152 H120 Au4 F40 I8 N12 -","4","0.5","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0321","0.0314","","","0.0801","0.0807","","","","","","1.0593","","","","has coordinates,has disorder","283148","2023-05-05","00:53:50",""
"1568855","11.6468","0.0008","16.5589","0.0012","21.055","0.0017","90","","90","","90","","4060.6","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O4 S Si -","- C19 H23 N O4 S Si -","- C152 H184 N8 O32 S8 Si8 -","8","2","","Feng, Lili; Chen, Xiaofan; Guo, Ning; Zhou, Yuqiao; Lin, Lili; Cao, Weidi; Feng, Xiaoming","Visible-light-induced chemo-, diastereo- and enantioselective α-C(sp3)–H functionalization of alkyl silanes","Chemical Science","2023","14","17","4516","4522","10.1039/D3SC00919J","","","0.71073","MoKα","","0.0345","0.0328","","","0.0749","0.0759","","","","","","1.103","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1568856","9.6431","0.0011","10.8092","0.0015","13.5182","0.0016","102.572","0.003","96.872","0.002","102.262","0.003","1323.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Al N2 O3 -","- C27 H35 Al N2 O3 -","- C54 H70 Al2 N4 O6 -","2","1","","Peng, Zengping; Ahmed, Hassan; Xu, Guangqiang; Guo, Xuanhua; Yang, Rulin; Sun, Hongguang; Wang, Qinggang","Exploring ligand substituent effects on stereoselective polymerization of racemic lactide using aluminium salen-type complexes","Polymer Chemistry","2023","14","18","2174","2180","10.1039/D3PY00228D","","","0.71073","MoKα","","0.1962","0.121","","","0.312","0.3414","","","","","","1.275","","","","has coordinates,has disorder","284345","2023-06-05","05:02:19",""
"1568857","9.6879","0.0008","11.1191","0.0011","14.2499","0.0013","102.047","0.003","103.197","0.003","96.808","0.002","1439.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 Al N2 O3 -","- C29 H39 Al N2 O3 -","- C58 H78 Al2 N4 O6 -","2","1","","Peng, Zengping; Ahmed, Hassan; Xu, Guangqiang; Guo, Xuanhua; Yang, Rulin; Sun, Hongguang; Wang, Qinggang","Exploring ligand substituent effects on stereoselective polymerization of racemic lactide using aluminium salen-type complexes","Polymer Chemistry","2023","14","18","2174","2180","10.1039/D3PY00228D","","","0.71073","MoKα","","0.1655","0.1123","","","0.2835","0.3078","","","","","","1.08","","","","has coordinates,has disorder","284345","2023-06-05","05:02:21",""
"1568860","12.4506","0.0006","12.976","0.0006","16.2431","0.0006","74.198","0.004","73.222","0.004","63.566","0.004","2217.94","0.19","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H160 Ca2 N4 O2 -","- C88 H146 Ca2 N4 O2 -","- C88 H146 Ca2 N4 O2 -","1","0.5","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0464","0.0439","","","0.1163","0.1194","","","","","","1.036","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568861","12.38232","0.00018","28.8484","0.0003","21.8547","0.0002","90","","93.1984","0.0012","90","","7794.56","0.16","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H134 Ca Mg N4 -","- C90 H134 Ca Mg N4 -","- C360 H536 Ca4 Mg4 N16 -","4","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.044","0.0362","","","0.0879","0.0928","","","","","","1.018","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568862","29.7787","0.0003","16.8207","0.0002","14.94992","0.00017","90","","90.0659","0.001","90","","7488.39","0.14","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Ca2 N4 -","- C84 H122 Ca2 N4 -","- C336 H488 Ca8 N16 -","4","0.5","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0377","0.035","","","0.089","0.0917","","","","","","1.041","","","","has coordinates","284239","2023-06-05","04:09:58",""
"1568863","21.5514","0.0003","13.0869","0.0002","29.0951","0.0004","90","","90","","90","","8206","0.2","100","0.3","100","0.3","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C94 H136 Ca Mg N4 -","- C94 H136 Ca Mg N4 -","- C376 H544 Ca4 Mg4 N16 -","4","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","x-ray","1.54184","CuKα","","0.0591","0.0523","","","0.1356","0.1425","","","","","","1.02","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568864","47.9193","0.0006","12.7914","0.0002","27.3845","0.0004","90","","98.7696","0.0012","90","","16589.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C92.85 H135.3 Ca2 N4 -","- C92.8432 H135.301 Ca2 N4 -","- C742.746 H1082.41 Ca16 N32 -","8","1","","Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd","On the existence of low-valent magnesium-calcium complexes.","Chemical science","2023","14","18","4724","4734","10.1039/d3sc00909b","","","1.54184","CuKα","","0.0457","0.0392","","","0.0974","0.1023","","","","","","1.041","","","","has coordinates,has disorder","284239","2023-06-05","04:09:58",""
"1568865","5.6498","0.0002","9.6522","0.0003","22.2488","0.0006","90","","92.285","0.002","90","","1212.33","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H11 F21 O -","- C21 H11 F21 O -","- C42 H22 F42 O2 -","2","1","","Balletti, Matteo; Wachsmuth, Tommy; Di Sabato, Antonio; Hartley, Will C.; Melchiorre, Paolo","Enantioselective catalytic remote perfluoroalkylation of α-branched enals driven by light.","Chemical science","2023","14","18","4923","4927","10.1039/d3sc01347b","","","1.54178","CuKα","","0.0476","0.0444","","","0.1162","0.1184","","","","","","1.07","","","","has coordinates","284237","2023-06-05","04:08:08",""
"1568867","7.9377","0.001","9.5122","0.0012","14.8507","0.0019","97.129","0.003","98.579","0.003","105.788","0.003","1050.8","0.2","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 B N2 O2 -","- C28 H19 B N2 O2 -","- C56 H38 B2 N4 O4 -","2","1","","Zhang, Xue; Sukhanov, Andrey A.; Liu, Xi; Taddei, Maria; Zhao, Jianzhang; Harriman, Anthony; Voronkova, Violeta K.; Wan, Yan; Dick, Bernhard; Di Donato, Mariangela","Origin of intersystem crossing in highly distorted organic molecules: a case study with red light-absorbing <i>N</i>,<i>N</i>,<i>O</i>,<i>O</i>-boron-chelated Bodipys.","Chemical science","2023","14","19","5014","5027","10.1039/d3sc00854a","","","0.71073","MoKα","","0.1459","0.0659","","","0.1116","0.1362","","","","","","1.025","","","","has coordinates","284215","2023-06-05","03:57:59",""
"1568868","9.974","0.005","13.582","0.006","14.781","0.007","94.4","0.006","104.251","0.005","106.946","0.005","1832.5","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H50 N4 Pt -","- C42 H50 N4 Pt -","- C84 H100 N8 Pt2 -","2","1","","Nguyen, Yennie H.; Dang, Vinh Q.; Soares, João Vitor; Wu, Judy I.; Teets, Thomas S.","Efficient blue-phosphorescent <i>trans</i>-bis(acyclic diaminocarbene) platinum(ii) acetylide complexes.","Chemical science","2023","14","18","4857","4862","10.1039/d3sc00712j","","","0.71073","MoKα","","0.0284","0.0256","","","0.0686","0.0696","","","","","","1.136","","","","has coordinates","284233","2023-06-05","04:06:49",""
"1568869","9.2266","0.0016","9.97","0.0018","19.841","0.004","84.973","0.002","78.024","0.002","64.618","0.002","1613.1","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 N4 Pt -","- C38 H42 N4 Pt -","- C76 H84 N8 Pt2 -","2","1","","Nguyen, Yennie H.; Dang, Vinh Q.; Soares, João Vitor; Wu, Judy I.; Teets, Thomas S.","Efficient blue-phosphorescent <i>trans</i>-bis(acyclic diaminocarbene) platinum(ii) acetylide complexes.","Chemical science","2023","14","18","4857","4862","10.1039/d3sc00712j","","","0.71073","MoKα","","0.0439","0.0302","","","0.0544","0.0601","","","","","","1.044","","","","has coordinates","284233","2023-06-05","04:06:58",""
"1568870","20.5768","0.0007","16.8498","0.0004","22.4111","0.0008","90","","102.858","0.003","90","","7575.4","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H79 Cl Fe Ga N4 P5 Si -","- C54 H79 Cl Fe Ga N4 P5 Si -","- C216 H316 Cl4 Fe4 Ga4 N16 P20 Si4 -","4","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0776","0.0633","","","0.1505","0.1587","","","","","","1.045","","","","has coordinates","284238","2023-06-05","04:09:24",""
"1568871","10.233","0.002","12.188","0.002","18.128","0.006","83.16","0.02","75.84","0.02","74.802","0.016","2111.9","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H64 Cl Ga Ge N4 -","- C44 H64 Cl Ga Ge N4 -","- C88 H128 Cl2 Ga2 Ge2 N8 -","2","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.05","0.043","","","0.1136","0.1192","","","","","","1.053","","","","has coordinates","284238","2023-06-05","04:09:24",""
"1568872","26.1402","0.0008","17.811","0.0004","27.9689","0.0006","90","","90","","90","","13021.8","0.6","100","","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H93 Cl Fe Ga N4 P5 Si -","- C60 H93 Cl Fe Ga N4 P5 Si -","- C480 H744 Cl8 Fe8 Ga8 N32 P40 Si8 -","8","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0638","0.0399","","","0.0934","0.1035","","","","","","1.022","","","","has coordinates","284238","2023-06-05","04:09:24",""
"1568873","13.5496","0.0007","15.458","0.0008","16.9929","0.0009","91.392","0.004","107.271","0.004","110.499","0.004","3150.6","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H86 As5 Cl Fe Ga N4 Si -","- C57 H86 As5 Cl Fe Ga N4 Si -","- C114 H172 As10 Cl2 Fe2 Ga2 N8 Si2 -","2","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0567","0.0343","","","0.0761","0.0825","","","","","","1.028","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24",""
"1568874","15.3662","0.001","17.8212","0.0014","23.9686","0.0014","90","","106.448","0.005","90","","6295.1","0.8","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H86 As5 Cl Fe Ga N4 Si -","- C57 H86 As5 Cl Fe Ga N4 Si -","- C228 H344 As20 Cl4 Fe4 Ga4 N16 Si4 -","4","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0463","0.0309","","","0.0602","0.0658","","","","","","1.052","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24",""
"1568875","37.8546","0.0006","16.4222","0.0002","19.9888","0.0004","90","","96.796","0.001","90","","12338.8","0.3","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 As5 Cl D3 Fe Ga Ge N4 -","- C57 H79 As5 Cl D3 Fe Ga Ge N4 -","- C456 H632 As40 Cl8 D24 Fe8 Ga8 Ge8 N32 -","8","2","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0886","0.0599","","","0.1445","0.1671","","","","","","1.056","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24",""
"1568876","37.7246","0.0008","16.1228","0.0002","19.9295","0.0004","90","","96.801","0.002","90","","12036.3","0.4","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 Cl D3 Fe Ga N4 P5 Si -","- C57 H82 Cl Fe1.0003 Ga N4 P5.0015 Si -","- C456 H656 Cl8 Fe8.0024 Ga8 N32 P40.012 Si8 -","8","2","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.1118","0.0612","","","0.1182","0.1395","","","","","","1.055","","","","has coordinates,has disorder","284238","2023-06-05","04:09:24",""
"1568877","20.8659","0.0013","11.4511","0.0009","8.7949","0.0005","90","","95.531","0.006","90","","2091.6","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O2 -","- C26 H24 N4 O2 -","- C104 H96 N16 O8 -","4","1","","Gong, Jianye; Liu, Lingxiu; Li, Chunbin; He, Yumao; Yu, Jia; Zhang, Ying; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Oxidization enhances type I ROS generation of AIE-active zwitterionic photosensitizers for photodynamic killing of drug-resistant bacteria.","Chemical science","2023","14","18","4863","4871","10.1039/d3sc00980g","","x-ray","0.71073","MoKα","","0.0903","0.0719","","","0.1739","0.1899","","","","","","1.067","","","","has coordinates","284234","2023-06-05","04:07:08",""
"1568878","21.2739","0.0012","11.0135","0.0008","8.6873","0.0005","90","","95.211","0.005","90","","2027","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O -","- C26 H24 N4 O -","- C104 H96 N16 O4 -","4","1","","Gong, Jianye; Liu, Lingxiu; Li, Chunbin; He, Yumao; Yu, Jia; Zhang, Ying; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong","Oxidization enhances type I ROS generation of AIE-active zwitterionic photosensitizers for photodynamic killing of drug-resistant bacteria.","Chemical science","2023","14","18","4863","4871","10.1039/d3sc00980g","","x-ray","0.71073","MoKα","","0.0505","0.042","","","0.0975","0.1039","","","","","","1.05","","","","has coordinates","284234","2023-06-05","04:07:09",""
"1568879","10.744","0.002","6.4582","0.0012","26.975","0.005","90","","90.886","0.006","90","","1871.5","0.6","276","2","276","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Nan, Jiang; Huang, Guanjie; Liu, Shilei; Wang, Jing; Ma, Yangmin; Luan, Xinjun","In(OTf)<sub>3</sub>-catalyzed reorganization/cycloaddition of two imine units and subsequent modular assembly of acridinium photocatalysts.","Chemical science","2023","14","19","5160","5166","10.1039/d3sc00163f","","","0.71073","MoKα","","0.2476","0.1243","","","0.2455","0.2928","","","","","","1.068","","","","has coordinates","284212","2023-06-05","03:55:31",""
"1568880","11.0488","0.0006","6.4191","0.0003","14.6827","0.0007","90","","99.43","0.002","90","","1027.27","0.09","276","2","276","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H21 N S -","- C28 H21 N S -","- C56 H42 N2 S2 -","2","1","","Nan, Jiang; Huang, Guanjie; Liu, Shilei; Wang, Jing; Ma, Yangmin; Luan, Xinjun","In(OTf)<sub>3</sub>-catalyzed reorganization/cycloaddition of two imine units and subsequent modular assembly of acridinium photocatalysts.","Chemical science","2023","14","19","5160","5166","10.1039/d3sc00163f","","","0.71073","MoKα","","0.0561","0.0411","","","0.0881","0.0961","","","","","","1.04","","","","has coordinates","284212","2023-06-05","03:55:34",""
"1568881","12.782","0.003","7.6564","0.0015","32.715","0.007","90","","90","","90","","3201.6","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Young, Taylor B.; Guppy, Owaen G.; Draper, Alysia J.; Whitington, Joshua M.; Kariuki, Benson M.; Paul, Alison; Eaton, Mark; Pope, Simon J. A.; Ward, Benjamin D.","Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides","Polymer Chemistry","2023","14","20","2478","2484","10.1039/D3PY00209H","","","0.71073","MoKα","","0.087","0.0764","","","0.2052","0.2115","","","","","","1.187","","","","has coordinates,has disorder","284344","2023-06-05","05:02:00",""
"1568882","29.6286","0.0006","29.6286","0.0006","7.6747","0.0003","90","","90","","120","","5834.6","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C306 H234 N18 O54 -","18","1","","Young, Taylor B.; Guppy, Owaen G.; Draper, Alysia J.; Whitington, Joshua M.; Kariuki, Benson M.; Paul, Alison; Eaton, Mark; Pope, Simon J. A.; Ward, Benjamin D.","Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides","Polymer Chemistry","2023","14","20","2478","2484","10.1039/D3PY00209H","","","0.71073","MoKα","","0.0799","0.0668","","","0.2022","0.2181","","","","","","1.063","","","","has coordinates,has disorder","284344","2023-06-05","05:02:00",""
"1568883","18.6396","0.0018","9.9559","0.0007","7.3","0.0006","90","","96.583","0.007","90","","1345.8","0.2","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Young, Taylor B.; Guppy, Owaen G.; Draper, Alysia J.; Whitington, Joshua M.; Kariuki, Benson M.; Paul, Alison; Eaton, Mark; Pope, Simon J. A.; Ward, Benjamin D.","Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides","Polymer Chemistry","2023","14","20","2478","2484","10.1039/D3PY00209H","","","1.54184","CuKα","","0.0472","0.0397","","","0.1183","0.1275","","","","","","1.064","","","","has coordinates,has disorder","284344","2023-06-05","05:02:00",""
"1568884","17.4083","0.0003","18.0287","0.0004","28.2153","0.0005","90","","90","","90","","8855.3","0.3","101","2","101.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H66 Al O2 P -","- C50 H66 Al O2 P -","- C400 H528 Al8 O16 P8 -","8","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","","1.54184","CuKα","","0.0367","0.0345","","","0.0912","0.0927","","","","","","1.03","","","","has coordinates","284343","2023-06-05","05:01:45",""
"1568885","18.8537","0.0003","15.5489","0.0002","18.2578","0.0003","90","","103.111","0.001","90","","5212.83","0.14","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H78 Al O2 P -","- C59 H78 Al O2 P -","- C236 H312 Al4 O8 P4 -","4","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","","1.54184","CuKα","","0.0553","0.0533","","","0.1426","0.1442","","","","","","1.049","","","","has coordinates,has disorder","284343","2023-06-05","05:01:46",""
"1568886","15.9438","0.0004","17.9944","0.0003","18.5158","0.0004","73.892","0.002","88.976","0.002","88.672","0.002","5101.9","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C116 H152 Al2 O4 P2 -","- C116 H152 Al2 O4 P2 -","- C232 H304 Al4 O8 P4 -","2","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","x-ray","1.54184","CuKα","","0.0405","0.0378","","","0.0978","0.0996","","","","","","1.032","","","","has coordinates,has disorder","284343","2023-06-05","05:01:46",""
"1568887","12.9446","0.0004","14.8659","0.0006","17.9817","0.0007","109.495","0.004","92.1","0.003","107.404","0.003","3076.5","0.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H82 Al O4 P -","- C60.5 H82 Al O4 P -","- C121 H164 Al2 O8 P2 -","2","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","x-ray","1.54184","CuKα","","0.1128","0.0969","","","0.2643","0.2786","","","","","","1.137","","","","has coordinates","284343","2023-06-05","05:01:46",""
"1568888","12.6448","0.0002","15.3492","0.0002","16.4061","0.0002","67.954","0.001","89.197","0.001","74.802","0.001","2835.47","0.07","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H82.5 Al O4 P -","- C63 H82.5 Al O4 P -","- C126 H165 Al2 O8 P2 -","2","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","","1.54184","CuKα","","0.0351","0.0343","","","0.0904","0.0909","","","","","","1.023","","","","has coordinates,has disorder","284343","2023-06-05","05:01:46",""
"1568890","9.5447","0.0003","10.6072","0.0003","14.7411","0.0005","91.735","0.003","97.167","0.003","101.208","0.003","1450.24","0.08","232.99","0.1","232.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H25 Li N2 O -","- C12 H25 Li N2 O -","- C48 H100 Li4 N8 O4 -","4","2","","Zhou, Wei; Docherty, Scott R.; Ehinger, Christian; Zhou, Xiaoyu; Copéret, Christophe","The promotional role of Mn in CO<sub>2</sub> hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach.","Chemical science","2023","14","20","5379","5385","10.1039/d3sc01163a","","x-ray","1.54184","CuKα","","0.074","0.0663","","","0.2008","0.2093","","","","","","1.065","","","","has coordinates,has disorder","284225","2023-06-05","04:03:00",""
"1568891","10.7527","0.0004","10.0218","0.0003","30.3983","0.0011","90","","90","","90","","3275.8","0.2","230","0.1","230","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H29 N2 Rh -","- C16 H29 N2 Rh -","- C128 H232 N16 Rh8 -","8","1","","Zhou, Wei; Docherty, Scott R.; Ehinger, Christian; Zhou, Xiaoyu; Copéret, Christophe","The promotional role of Mn in CO<sub>2</sub> hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach.","Chemical science","2023","14","20","5379","5385","10.1039/d3sc01163a","","x-ray","1.54184","CuKα","","0.0384","0.0364","","","0.1018","0.1038","","","","","","1.043","","","","has coordinates,has disorder","284225","2023-06-05","04:03:00",""
"1568892","10.4362","0.0004","22.443","0.0008","18.2762","0.0007","90","","90","","90","","4280.6","0.3","230","0.1","230","0.1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36.5 H31 Cl3 F6 N2 O9 S2 -","- C35.8285 H30.172 Cl1.657 F6 N2 O9 S2 -","- C143.314 H120.688 Cl6.628 F24 N8 O36 S8 -","4","1","","Pham, Quoc Hoang; Tague, Andrew J.; Richardson, Christopher; Gardiner, Michael G.; Pyne, Stephen G.; Hyland, Christopher J. T.","Palladium-catalysed enantio- and regioselective (3 + 2) cycloaddition reactions of sulfamidate imine-derived 1-azadienes towards spirocyclic cyclopentanes.","Chemical science","2023","14","18","4893","4900","10.1039/d3sc01510f","","x-ray","0.71073","MoKα","","0.0876","0.0636","","","0.1717","0.1937","","","","","","1.032","","","","has coordinates,has disorder","284232","2023-06-05","04:06:37",""
"1568893","8.6488","0.0007","5.6835","0.0004","17.6333","0.0014","90","","91.157","0.006","90","","866.6","0.12","123.15","","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","1-Naph-imine","","","- C24 H19 N -","- C24 H19 N -","- C48 H38 N2 -","2","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0757","0.0553","","","0.1311","0.1454","","","","","","1.06","","","","has coordinates","283143","2023-05-05","00:44:38",""
"1568894","5.8251","0.0002","8.9229","0.0003","26.3669","0.0009","90","","90","","90","","1370.47","0.08","123.15","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fur-imine","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0298","0.0289","","","0.0687","0.0691","","","","","","1.105","","","","has coordinates","283143","2023-05-05","00:44:48",""
"1568895","12.3374","0.0003","6.0658","0.0002","12.5814","0.0004","90","","100.849","0.007","90","","924.72","0.05","123.15","","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","1-Naph-aminonitrile","","","- C25 H20 N2 -","- C25 H20 N2 -","- C50 H40 N4 -","2","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0486","0.0364","","","0.0751","0.0786","","","","","","1.01","","","","has coordinates","283143","2023-05-05","00:44:52",""
"1568896","6.9356","0.0002","8.626","0.0003","25.4183","0.0008","90","","90","","90","","1520.69","0.08","123.15","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fur-aminonitrile","","","- C18.9 H15.9 N2 O -","- C18.898 H15.898 N2 O -","- C75.592 H63.592 N8 O4 -","4","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.04","0.0387","","","0.0965","0.0974","","","","","","1.061","","","","has coordinates,has disorder","283143","2023-05-05","00:44:53",""
"1568897","12.5347","0.0016","13.5209","0.0017","13.0674","0.0017","90","","93.446","0.003","90","","2210.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Au Cl N2 -","- C19 H36 Au Cl N2 -","- C76 H144 Au4 Cl4 N8 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","1.54178","CuKα","","0.0207","0.0205","","","0.0484","0.0485","","","","","","1.212","","","","has coordinates","284217","2023-06-05","03:58:51",""
"1568898","12.6916","0.0006","13.503","0.0007","13.0909","0.0006","90","","95.351","0.004","90","","2233.67","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Cl Cu N2 -","- C19 H36 Cl Cu N2 -","- C76 H144 Cl4 Cu4 N8 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.1333","0.0458","","","0.0884","0.1057","","","","","","0.824","","","","has coordinates","284217","2023-06-05","03:58:56",""
"1568899","12.9804","0.0003","13.4131","0.0003","13.1899","0.0003","90","","90.467","0.002","90","","2296.38","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Ag Cl N2 -","- C19 H36 Ag Cl N2 -","- C76 H144 Ag4 Cl4 N8 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0419","0.0275","","","0.0676","0.071","","","","","","0.985","","","","has coordinates","284217","2023-06-05","03:59:09",""
"1568900","12.694","0.0003","14.2272","0.0003","15.3472","0.0004","90","","90","","90","","2771.71","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 Cl3 N3 Pd -","- C24 H40 Cl3 N3 Pd -","- C96 H160 Cl12 N12 Pd4 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0237","0.0185","","","0.038","0.0389","","","","","","0.94","","","","has coordinates","284217","2023-06-05","03:59:11",""
"1568901","32.8739","0.001","10.3807","0.0003","12.109","0.0003","90","","90","","90","","4132.2","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H36 N2 Se -","- C19 H36 N2 Se -","- C152 H288 N16 Se8 -","8","2","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0783","0.0386","","","0.0792","0.0844","","","","","","0.839","","","","has coordinates","284217","2023-06-05","03:59:15",""
"1568902","9.4218","0.0005","12.996","0.0006","14.5646","0.0008","90.383","0.002","100.408","0.002","98.456","0.002","1733.95","0.16","302","2","302","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 N2 O -","- C46 H40 N2 O -","- C92 H80 N4 O2 -","2","1","","Zhang, Yunxi; Huang, Zhengmei; Yang, Yudong; Liu, Jiahui; Tian, Yang; Bin, Zhengyang; You, Jingsong","Molecular engineering of locked alkyl aryl carbonyl-based thermally activated delayed fluorescence emitters <i>via</i> a cascade C-H activation process.","Chemical science","2023","14","19","5125","5131","10.1039/d3sc01298k","","","0.71073","MoKα","","0.0988","0.0522","","","0.1229","0.1414","","","","","","1.022","","","","has coordinates","284210","2023-06-05","03:54:58",""
"1568903","8.8902","0.0014","12.895","0.002","14.568","0.002","67.108","0.005","72.348","0.006","76.144","0.006","1452","0.4","220","2","220","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H31 N O -","- C41 H31 N O -","- C82 H62 N2 O2 -","2","1","","Zhang, Yunxi; Huang, Zhengmei; Yang, Yudong; Liu, Jiahui; Tian, Yang; Bin, Zhengyang; You, Jingsong","Molecular engineering of locked alkyl aryl carbonyl-based thermally activated delayed fluorescence emitters <i>via</i> a cascade C-H activation process.","Chemical science","2023","14","19","5125","5131","10.1039/d3sc01298k","","","0.71073","MoKα","","0.0917","0.0516","","","0.1125","0.1307","","","","","","1.019","","","","has coordinates","284210","2023-06-05","03:54:58",""
"1568904","22.713","0.003","10.751","0.0012","16.371","0.002","90","","133.633","0.007","90","","2893.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C128 H128 N16 O32 -","8","1","","Maiti, Debajit; Saha, Argha; Guin, Srimanta; Maiti, Debabrata; Sen, Subhabrata","Unveiling catalyst-free electro-photochemical reactivity of aryl diazoesters and facile synthesis of oxazoles, imide-fused pyrroles and tetrahydro-epoxy-pyridines <i>via</i> carbene radical anions.","Chemical science","2023","14","23","6216","6225","10.1039/d3sc00089c","","","0.71073","MoKα","","0.0541","0.0447","","","0.1487","0.1572","","","","","","1.301","","","","has coordinates","284905","2023-07-05","09:48:26",""
"1568905","13.4772","0.001","8.9459","0.0007","15.8469","0.0009","90","","94.187","0.002","90","","1905.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Cl N2 O4 -","- C22 H19 Cl N2 O4 -","- C88 H76 Cl4 N8 O16 -","4","1","","Maiti, Debajit; Saha, Argha; Guin, Srimanta; Maiti, Debabrata; Sen, Subhabrata","Unveiling catalyst-free electro-photochemical reactivity of aryl diazoesters and facile synthesis of oxazoles, imide-fused pyrroles and tetrahydro-epoxy-pyridines <i>via</i> carbene radical anions.","Chemical science","2023","14","23","6216","6225","10.1039/d3sc00089c","","","0.71073","MoKα","","0.1011","0.0623","","","0.1328","0.1557","","","","","","1.134","","","","has coordinates","284905","2023-07-05","09:48:27",""
"1568906","11.153","0.003","9.171","0.003","18.019","0.006","90","","90","","90","","1843.1","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.056","0.0449","","","0.1027","0.1086","","","","","","1.007","","","","has coordinates","284211","2023-06-05","03:55:19",""
"1568907","11.2274","0.0013","9.2607","0.0012","18.166","0.002","90","","90","","90","","1888.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C60 H96 N24 O12 -","4","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.1081","0.0581","","","0.1381","0.1653","","","","","","1.038","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19",""
"1568908","17.887","0.003","8.7802","0.0012","12.944","0.002","90","","108.215","0.005","90","","1931","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 N6 O4 -","- C15 H26 N6 O4 -","- C60 H104 N24 O16 -","4","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.0789","0.05","","","0.1228","0.1414","","","","","","1.029","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19",""
"1568909","17.885","0.005","18.47","0.005","10.697","0.003","90","","90","","90","","3533.6","1.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C120 H192 N48 O24 -","8","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.2678","0.1183","","","0.3016","0.4135","","","","","","1.144","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19",""
"1568910","18.146","0.004","10.719","0.002","18.54","0.004","90","","94.9","0.03","90","","3593","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C120 H192 N48 O24 -","8","2","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.1039","0.0525","","","0.1133","0.1385","","","","","","1.032","","","","has coordinates","284211","2023-06-05","03:55:19",""
"1568911","9.941","0.003","14.577","0.005","18.928","0.006","88.09","0.007","77.833","0.007","74.266","0.006","2580","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H39 N7 O14.5 Y2 -","- C54 H37 N7 O15 Y2 -","- C108 H74 N14 O30 Y4 -","2","1","","Wang, Xinrui; Clavier, Gilles; Zhang, Yan; Batra, Kamal; Xiao, Nanan; Maurin, Guillaume; Ding, Bin; Tissot, Antoine; Serre, Christian","A MOF/DNA luminescent sensing platform for detection of potential COVID-19 biomarkers and drugs.","Chemical science","2023","14","20","5386","5395","10.1039/d3sc00106g","","","0.71073","MoKα","","0.0872","0.0576","","","0.1526","0.1655","","","","","","1.047","","","","has coordinates,has disorder","284228","2023-06-05","04:03:57",""
"1568912","10.55","0.0009","10.051","0.0008","12.1412","0.001","90","","109.66","0.004","90","","1212.38","0.18","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H24 Fe N4 O2 -","- C29 H24 Fe N4 O2 -","- C58 H48 Fe2 N8 O4 -","2","1","","Zhou, Li; Li, Yankun; Li, Shunian; Shi, Zhenwei; Zhang, Xue; Tung, Chen-Ho; Xu, Zhenghu","Asymmetric rhodium-catalyzed click cycloaddition to access C-N axially chiral <i>N</i>-triazolyl indoles.","Chemical science","2023","14","19","5182","5187","10.1039/d3sc00610g","","","1.54178","CuKα","","0.0399","0.0299","","","0.0688","0.0706","","","","","","1.011","","","","has coordinates","284213","2023-06-05","03:55:58",""
"1568913","8.2557","0.0005","14.5568","0.0009","21.8087","0.0012","90","","90","","90","","2620.9","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N4 O3 S -","- C31 H26 N4 O3 S -","- C124 H104 N16 O12 S4 -","4","1","","Zhou, Li; Li, Yankun; Li, Shunian; Shi, Zhenwei; Zhang, Xue; Tung, Chen-Ho; Xu, Zhenghu","Asymmetric rhodium-catalyzed click cycloaddition to access C-N axially chiral <i>N</i>-triazolyl indoles.","Chemical science","2023","14","19","5182","5187","10.1039/d3sc00610g","","","1.54178","CuKα","","0.04","0.035","","","0.0842","0.0878","","","","","","1.104","","","","has coordinates","284213","2023-06-05","03:56:04",""
"1568914","15.3021","0.0005","14.6862","0.0004","29.0678","0.0009","90","","98.666","0.003","90","","6457.8","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Br2 O4 Si2 -","- C28 H44 Br2 O4 Si2 -","- C224 H352 Br16 O32 Si16 -","8","2","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1169","0.0768","","","0.1723","0.1841","","","","","","1.163","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568915","14.2291","0.0004","9.2419","0.0003","26.5165","0.0007","90","","96.382","0.003","90","","3465.41","0.18","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1517","0.0627","","","0.1736","0.2132","","","","","","1.009","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568916","14.187","0.0004","9.2501","0.0003","26.1208","0.0007","90","","95.646","0.002","90","","3411.23","0.17","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1273","0.0642","","","0.1206","0.1394","","","","","","1.009","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568917","14.226","0.0006","9.2521","0.0005","26.4803","0.001","90","","96.315","0.004","90","","3464.2","0.3","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1203","0.0561","","","0.1578","0.1897","","","","","","1.009","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568918","15.3539","0.0004","14.7515","0.0003","29.2022","0.0008","90","","98.737","0.002","90","","6537.3","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Br2 O4 Si2 -","- C28 H44 Br2 O4 Si2 -","- C224 H352 Br16 O32 Si16 -","8","2","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1336","0.0782","","","0.1829","0.1998","","","","","","1.131","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568919","14.2236","0.0006","9.2423","0.0004","26.4876","0.0009","90","","96.355","0.004","90","","3460.6","0.2","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1248","0.0569","","","0.1587","0.194","","","","","","1.013","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568920","14.2313","0.0006","9.2571","0.0005","26.487","0.0009","90","","96.271","0.004","90","","3468.5","0.3","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Sotome, Hikaru; Miyasaka, Hiroshi; Ogawa, Takuji; Tani, Yosuke","Photoinduced crystal melting with luminescence evolution based on conformational isomerisation.","Chemical science","2023","14","20","5302","5308","10.1039/d3sc00838j","","x-ray","0.71073","MoKα","","0.1168","0.0545","","","0.1558","0.1863","","","","","","1.015","","","","has coordinates","284231","2023-06-05","04:05:18",""
"1568928","36.6848","0.0004","36.6848","0.0004","36.6848","0.0004","90","","90","","90","","49369.5","0.9","293","2","293","2","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C94 H100 Al8 N24 O38 -","- C94 H108 Al8 N24 O36 -","- C1128 H1296 Al96 N288 O432 -","12","0.25","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.3405","GaKα","","0.07","0.0589","","","0.1402","0.1468","","","","","","1.051","","","","has coordinates,has disorder","284230","2023-06-05","04:04:45",""
"1568929","23.0719","0.0003","23.0719","0.0003","14.7983","0.0004","90","","90","","90","","7877.3","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C96 H80 Al8 N32 O40 -","- C96 H88 Al8 N32 O40 -","- C192 H176 Al16 N64 O80 -","2","0.125","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.3405","GaKα","","0.0842","0.0707","","","0.2046","0.2193","","","","","","0.988","","","","has coordinates","284230","2023-06-05","04:04:46",""
"1568930","22.85","0.0003","22.85","0.0003","14.9095","0.0004","90","","90","","90","","7784.6","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C124 H100 Al8 N32 O44 -","- C124 H108 Al8 N32 O44 -","- C248 H216 Al16 N64 O88 -","2","0.125","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.54184","CuKα","","0.1055","0.0967","","","0.267","0.2804","","","","","","1.21","","","","has coordinates","284230","2023-06-05","04:04:46",""
"1568931","36.617","0.0003","36.617","0.0003","36.617","0.0003","90","","90","","90","","49096.2","0.7","99.99","0.1","99.99","0.1","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C88 H88 Al8 N24 O36 -","- C88 H96 Al8 N24 O36 -","- C1056 H1152 Al96 N288 O432 -","12","0.25","","Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian","Accurate binding of porous aluminum molecular ring catalysts with the substrate.","Chemical science","2023","14","20","5396","5404","10.1039/d3sc01260c","","x-ray","1.54184","CuKα","","0.057","0.0521","","","0.1355","0.1392","","","","","","1.009","","","","has coordinates,has disorder","284230","2023-06-05","04:04:46",""
"1568937","16.1752","0.0002","8.3402","0.0001","16.1713","0.0002","90","","112.533","0.001","90","","2015.04","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Mo N4 O4 -","- C18 H24 Mo N4 O4 -","- C72 H96 Mo4 N16 O16 -","4","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","1.54184","CuKα","","0.0243","0.0238","","","0.0636","0.064","","","","","","1.054","","","","has coordinates","284219","2023-06-05","04:00:21",""
"1568938","29.705","0.006","9.751","0.002","14.098","0.003","90","","105.68","0.03","90","","3931.6","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Mo N4 O4 -","- C18 H20 Mo N4 O4 -","- C144 H160 Mo8 N32 O32 -","8","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.71073","MoKα","","0.0297","0.028","","","0.072","0.073","","","","","","1.117","","","","has coordinates","284219","2023-06-05","04:00:21",""
"1568939","12.6201","0.0003","23.4471","0.0005","14.4084","0.0003","90","","96.396","0.002","90","","4236.98","0.16","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C89 H108 Mg2 Mo N4 O10 -","- C89 H108 Mg2 Mo N4 O10 -","- C178 H216 Mg4 Mo2 N8 O20 -","2","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.71073","MoKα","","0.0376","0.0321","","","0.0809","0.0839","","","","","","1.029","","","","has coordinates,has disorder","284219","2023-06-05","04:00:21",""
"1568940","12.5268","0.0003","15.3082","0.0004","17.5288","0.0004","83.714","0.002","89.854","0.002","65.992","0.003","3048.85","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C130 H170 Mg4 N8 O8 -","- C130 H170 Mg4 N8 O8 -","- C130 H170 Mg4 N8 O8 -","1","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","1.54184","CuKα","","0.1008","0.0792","","","0.1998","0.2118","","","","","","1.121","","","","has coordinates","284219","2023-06-05","04:00:21",""
"1568941","12.471","0.003","23.565","0.005","29.107","0.006","90","","91.73","0.03","90","","8550","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H108 Mg2 Mo N6 O9 -","- C88 H108 Mg2 Mo N6 O9 -","- C352 H432 Mg8 Mo4 N24 O36 -","4","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.7109","Synchrotron","","0.0426","0.0388","","","0.108","0.1113","","","","","","1.029","","","","has coordinates","284219","2023-06-05","04:00:22",""
"1568942","12.18","0.002","17.74","0.004","19.44","0.004","87.54","0.03","87.79","0.03","87.49","0.03","4189.7","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C178 H254 Mg4 N12 O12 -","- C178 H254 Mg4 N12 O12 -","- C178 H254 Mg4 N12 O12 -","1","0.5","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.7109","Synchrotron","","0.0513","0.0437","","","0.1115","0.1182","","","","","","1.046","","","","has coordinates","284219","2023-06-05","04:00:22",""
"1568943","13.04","0.003","48.66","0.01","13.39","0.003","90","","113.04","0.03","90","","7819","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H102 Mg2 Mo N6 O9 -","- C81 H102 Mg2 Mo N6 O9 -","- C324 H408 Mg8 Mo4 N24 O36 -","4","1","","Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron","Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.","Chemical science","2023","14","19","5188","5195","10.1039/d3sc01487h","","","0.7109","Synchrotron","","0.0625","0.0451","","","0.1157","0.1256","","","","","","1.033","","","","has coordinates","284219","2023-06-05","04:00:22",""
"1568944","10.152","0.0001","12.5705","0.0002","23.1569","0.0003","102.344","0.001","99.85","0.001","97.607","0.001","2800.15","0.07","100","0.12","100","0.12","","","","","","","","8","P -1","-P 1","2","","","","- C64 H54 B Cl4 F4 O Os P3 -","- C64 H54 B Cl4 F4 O Os P3 -","- C128 H108 B2 Cl8 F8 O2 Os2 P6 -","2","1","","Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping","Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.","Chemical science","2023","14","21","5672","5680","10.1039/d3sc01491f","","x-ray","1.54184","CuKα","","0.0596","0.055","","","0.1463","0.1489","","","","","","1.06","","","","has coordinates,has disorder","284244","2023-06-05","04:11:36",""
"1568945","10.1361","0.0002","12.2229","0.0002","22.8285","0.0004","93.994","0.001","94.966","0.002","95.826","0.002","2794.32","0.09","99.98","0.13","99.98","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 B Cl4 F4 Os P3 -","- C64 H54 B Cl4 F4 Os P3 -","- C128 H108 B2 Cl8 F8 Os2 P6 -","2","1","","Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping","Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.","Chemical science","2023","14","21","5672","5680","10.1039/d3sc01491f","","x-ray","1.54184","CuKα","","0.0462","0.0434","","","0.1082","0.1097","","","","","","1.048","","","","has coordinates,has disorder","284244","2023-06-05","04:11:37",""
"1568946","12.7074","0.0001","15.8642","0.0001","19.7026","0.0001","108.227","0.001","96.231","0.001","98.117","0.001","3685.24","0.05","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C83 H72 Cl8 O2 Os P4 -","- C83 H72 Cl8 O2 Os P4 -","- C166 H144 Cl16 O4 Os2 P8 -","2","1","","Li, Qian; Fei, Jiawei; Ruan, Kaidong; Hua, Yuhui; Chen, Dafa; Luo, Ming; Xia, Haiping","Reshaping aromatic frameworks: expansion of aromatic system drives metallabenzenoids to metallapentalenes.","Chemical science","2023","14","21","5672","5680","10.1039/d3sc01491f","","x-ray","0.71073","MoKα","","0.0315","0.0267","","","0.0629","0.0642","","","","","","1.064","","","","has coordinates","284244","2023-06-05","04:11:37",""
"1568947","10.9449","0.0002","13.156","0.0005","14.6317","0.0006","77.386","0.003","82.198","0.003","89.881","0.002","2036.12","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 I N O3 S -","- C21 H22 I N O3 S -","- C84 H88 I4 N4 O12 S4 -","4","2","","Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.","Nitrogen-interrupted <i>halo</i>-Prins/<i>halo</i>-Nazarov fragment coupling cascade for the synthesis of indolines.","Chemical science","2023","14","20","5431","5437","10.1039/d3sc00986f","","x-ray","1.54184","CuKα","","0.0819","0.0655","","","0.1814","0.1963","","","","","","1.059","","","","has coordinates","284222","2023-06-05","04:01:43",""
"1568948","10.3499","0.0002","11.4812","0.0002","11.8168","0.0002","83.79","0.002","76.551","0.002","65.058","0.002","1238.22","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 I N2 O5 S -","- C27 H25 I N2 O5 S -","- C54 H50 I2 N4 O10 S2 -","2","1","","Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.","Nitrogen-interrupted <i>halo</i>-Prins/<i>halo</i>-Nazarov fragment coupling cascade for the synthesis of indolines.","Chemical science","2023","14","20","5431","5437","10.1039/d3sc00986f","","x-ray","1.54184","CuKα","","0.0292","0.0281","","","0.08","0.0807","","","","","","1.14","","","","has coordinates,has disorder","284222","2023-06-05","04:01:43",""
"1568949","10.0403","0.0003","10.7542","0.0003","13.6818","0.0002","82.958","0.002","72.346","0.002","62.821","0.003","1252.07","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 I N O3 S -","- C27 H32 I N O3 S -","- C54 H64 I2 N2 O6 S2 -","2","1","","Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J.","Nitrogen-interrupted <i>halo</i>-Prins/<i>halo</i>-Nazarov fragment coupling cascade for the synthesis of indolines.","Chemical science","2023","14","20","5431","5437","10.1039/d3sc00986f","","x-ray","1.54184","CuKα","","0.0294","0.0288","","","0.0727","0.0732","","","","","","1.092","","","","has coordinates,has disorder","284222","2023-06-05","04:01:43",""
"1568950","11.82272","0.00018","8.08217","0.0001","14.6182","0.0002","90","","111.144","0.0018","90","","1302.78","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0419","0.0401","","","0.1035","0.1052","","","","","","1.084","","","","has coordinates","284216","2023-06-05","03:58:15",""
"1568951","16.0584","0.0002","6.13979","0.00007","13.79498","0.00019","90","","107.514","0.0015","90","","1297.07","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0402","0.0376","","","0.0987","0.1011","","","","","","1.078","","","","has coordinates","284216","2023-06-05","03:58:22",""
"1568952","13.68696","0.00011","6.65657","0.00006","15.4851","0.00013","90","","101.535","0.0008","90","","1382.32","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br N O -","- C16 H18 Br N O -","- C64 H72 Br4 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0283","0.0278","","","0.0715","0.0719","","","","","","1.126","","","","has coordinates","284216","2023-06-05","03:58:24",""
"1568953","8.88043","0.00012","10.96832","0.00016","14.65499","0.00019","90","","101.387","0.0013","90","","1399.35","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Br N O -","- C16 H18 Br N O -","- C64 H72 Br4 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.0236","0.0227","","","0.0575","0.058","","","","","","1.062","","","","has coordinates","284216","2023-06-05","03:58:25",""
"1568954","14.04898","0.00014","6.21142","0.00006","15.50317","0.00018","90","","106.125","0.0012","90","","1299.65","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Protich, Zachary; Lowder, Leah L.; Hughes, Russell P.; Wu, Jimmy","Regiodivergent (3 + 2) annulation reactions of oxyallyl cations.","Chemical science","2023","14","19","5196","5203","10.1039/d2sc06999g","","x-ray","1.54184","CuKα","","0.039","0.0379","","","0.0959","0.0967","","","","","","1.088","","","","has coordinates","284216","2023-06-05","03:58:25",""
"1568955","6.79993","0.00004","15.8969","0.00008","18.74294","0.0001","90","","90","","90","","2026.07","0.019","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Chang, Xin; Liu, Xue-Tao; Li, Fangfang; Yang, Yuhong; Chung, Lung Wa; Wang, Chun-Jiang","Electron-rich benzofulvenes as effective dipolarophiles in copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides.","Chemical science","2023","14","20","5460","5469","10.1039/d3sc00435j","","x-ray","1.54184","CuKα","","0.0312","0.0306","","","0.0812","0.0817","","","","","","1.046","","","","has coordinates","284224","2023-06-05","04:02:39",""
"1568956","10.764","0.0004","15.5751","0.0005","29.2364","0.0008","90","","90","","90","","4901.5","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H48 F6 N2 O4 -","- C62 H48 F6 N2 O4 -","- C248 H192 F24 N8 O16 -","4","1","","Chang, Xin; Liu, Xue-Tao; Li, Fangfang; Yang, Yuhong; Chung, Lung Wa; Wang, Chun-Jiang","Electron-rich benzofulvenes as effective dipolarophiles in copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides.","Chemical science","2023","14","20","5460","5469","10.1039/d3sc00435j","","x-ray","1.54184","CuKα","","0.052","0.0438","","","0.1159","0.1239","","","","","","1.109","","","","has coordinates,has disorder","284224","2023-06-05","04:02:50",""
"1568957","7.373","0.003","12.555","0.004","12.999","0.005","90","","95.859","0.012","90","","1197","0.8","100","","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C11 H24 Cu10 I8 N4 O4.33 S4 -","- C11 H24 Cu10 I8 N4 O4.3332 S4 -","- C11 H24 Cu10 I8 N4 O4.3332 S4 -","1","0.25","","Dutta, Camelia; Maniappan, Sonia; Kumar, Jatish","Delayed luminescence guided enhanced circularly polarized emission in atomically precise copper nanoclusters.","Chemical science","2023","14","21","5593","5601","10.1039/d3sc00686g","","","0.71073","MoKα","","0.0968","0.0685","","","0.1756","0.2021","","","","","","1.045","","","","has coordinates","284242","2023-06-05","04:10:26",""
"1568958","7.155","0.007","7.155","0.007","12.562","0.018","92.42","0.03","92.42","0.03","118.1","","565.4","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C2.5 H4 Cu2.5 I2 N0.5 O1.5 S -","- C2.5 H4 Cu2.5 I2 N0.5 O1.5 S -","- C5 H8 Cu5 I4 N O3 S2 -","2","1","","Dutta, Camelia; Maniappan, Sonia; Kumar, Jatish","Delayed luminescence guided enhanced circularly polarized emission in atomically precise copper nanoclusters.","Chemical science","2023","14","21","5593","5601","10.1039/d3sc00686g","","","0.71073","MoKα","","0.2766","0.1417","","","0.3482","0.4197","","","","","","1.14","","","","has coordinates,has disorder","284242","2023-06-05","04:10:27",""
"1568959","10.7293","0.0006","11.8938","0.0008","12.7361","0.0008","112.102","0.006","97.669","0.005","93.798","0.005","1480.33","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H90 Cl2 N4 O21 V6 -","- C44 H90 Cl2 N4 O21 V6 -","- C44 H90 Cl2 N4 O21 V6 -","1","0.5","","Salazar Marcano, David E.; Kalandia, Givi; Moussawi, Mhamad Aly; Van Hecke, Kristof; Parac-Vogt, Tatjana N","Rational synthesis of elusive organic-inorganic hybrid metal-oxo clusters: formation and post-functionalization of hexavanadates.","Chemical science","2023","14","20","5405","5414","10.1039/d3sc00038a","","x-ray","1.54184","CuKα","","0.0859","0.0547","","","0.1344","0.1567","","","","","","1.025","","","","has coordinates","284229","2023-06-05","04:04:09",""
"1568960","10.631","0.0001","19.74","0.0002","18.5098","0.0002","90","","90.019","0.001","90","","3884.39","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H110 Cl6 N4 O25 V6 -","- C56 H110 Cl6 N4 O25 V6 -","- C112 H220 Cl12 N8 O50 V12 -","2","0.5","","Salazar Marcano, David E.; Kalandia, Givi; Moussawi, Mhamad Aly; Van Hecke, Kristof; Parac-Vogt, Tatjana N","Rational synthesis of elusive organic-inorganic hybrid metal-oxo clusters: formation and post-functionalization of hexavanadates.","Chemical science","2023","14","20","5405","5414","10.1039/d3sc00038a","","x-ray","1.54184","CuKα","","0.0558","0.0418","","","0.0933","0.1057","","","","","","1.095","","","","has coordinates","284229","2023-06-05","04:04:09",""
"1568961","16.1374","0.0005","10.0281","0.0003","20.5528","0.0005","90","","112.651","0.0017","90","","3069.46","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 O6 -","- C38 H30 O6 -","- C152 H120 O24 -","4","1","","Rivera, Edris; Paul, Indrajit; Fajardo, Jr, Javier; Garcia-Garibay, Miguel A","Quantum chain amplification in nanocrystalline Dewar benzenes by intramolecular sensitization.","Chemical science","2023","14","21","5802","5810","10.1039/d3sc01074k","","","1.54178","CuKα","","0.0797","0.0686","","","0.1538","0.1586","","","","","","1.137","","","","has coordinates,has disorder","284241","2023-06-05","04:10:18",""
"1568962","6.8379","0.0003","16.3952","0.0005","22.7541","0.0008","90","","90","","90","","2550.93","0.16","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N O5 S -","- C31 H23 N O5 S -","- C124 H92 N4 O20 S4 -","4","1","","Liu, Li-Xia; Bai, Yu-Qing; Li, Xiang; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed asymmetric allenylic alkylation: construction of multiple chiral thiochromanone derivatives.","Chemical science","2023","14","20","5477","5482","10.1039/d3sc01060k","","","0.71073","MoKα","","0.0415","0.0366","","","0.0887","0.0925","","","","","","1.025","","","","has coordinates","284221","2023-06-05","04:01:29",""
"1568963","33.855","0.002","8.1449","0.0005","17.6248","0.001","90","","96.65","0.005","90","","4827.3","0.5","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Cl0.12 N2 O0.12 S2 -","- C29 H26 N2 S2 -","- C232 H208 N16 S16 -","8","2","","Hu, Yang; Zhang, Lihui; Wang, Zhuang; Hu, Rongrong; Tang, Ben Zhong","Economical synthesis of functional aromatic polythioamides from KOH-assisted multicomponent polymerizations of sulfur, aromatic diamines and dialdehydes","Polymer Chemistry","2023","14","21","2617","2623","10.1039/D2PY01560A","","x-ray","1.54184","CuKα","","0.2085","0.1658","","","0.3803","0.4115","","","","","","1.376","","","","has coordinates","284981","2023-07-05","11:04:42",""
"1568966","35.08","0.0007","36.9265","0.0007","34.8114","0.0006","90","","90","","90","","45094","1.5","100","2","100.15","","","","","","","","","5","C c m e","-C 2ac 2ac","64","","","","- Cs10 Fe30 Mo84 O382 P -","- Cs10 Fe30 Mo83.9992 O382 P -","- Cs40 Fe120 Mo335.997 O1528 P4 -","4","0.25","","Tamai, Nanako; Ogiwara, Naoki; Hayashi, Eri; Kamata, Keigo; Misawa, Toshiyuki; Ito, Takeru; Kojima, Tatsuhiro; Segado, Mireia; Petrus, Enric; Bo, Carles; Uchida, Sayaka","A redox-active inorganic crown ether based on a polyoxometalate capsule.","Chemical science","2023","14","20","5453","5459","10.1039/d3sc01077e","","","0.4132","synchrotron","","0.0905","0.0701","","","0.1797","0.1939","","","","","","1.021","","","","has coordinates,has disorder","284226","2023-06-05","04:03:28",""
"1568967","20.883","0.0007","27.5133","0.0009","33.7675","0.0011","90","","97.309","0.002","90","","19243.8","1.1","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C1158 H672 -","- C1158 H672 -","- C1158 H672 -","1","0.25","","Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu","Regulating supramolecular interactions in dimeric macrocycles.","Chemical science","2023","14","20","5425","5430","10.1039/d3sc00035d","","","1.34138","GaKα","","0.1055","0.0904","","","0.263","0.279","","","","","","1.039","","","","has coordinates,has disorder","284220","2023-06-05","04:01:17",""
"1568968","15.9267","0.0003","20.9291","0.0004","22.0491","0.0005","90.828","0.002","108.688","0.002","93.047","0.002","6948.5","0.3","100","0.1","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C176 H107 Cl2 -","- C176 H107 Cl2 -","- C352 H214 Cl4 -","2","1","","Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu","Regulating supramolecular interactions in dimeric macrocycles.","Chemical science","2023","14","20","5425","5430","10.1039/d3sc00035d","","","1.54184","CuKα","","0.1311","0.1178","","","0.341","0.3518","","","","","","1.028","","","","has coordinates,has disorder","284220","2023-06-05","04:01:17",""
"1568969","20.6555","0.0002","38.6556","0.0005","25.2345","0.0003","90","","105.331","0.001","90","","19431.5","0.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C315 H110 -","- C315 H110 -","- C1260 H440 -","4","1","","Fang, Pengwei; Chen, Muqing; Yin, Nan; Zhuang, Guilin; Chen, Tianyun; Zhang, Xinyu; Du, Pingwu","Regulating supramolecular interactions in dimeric macrocycles.","Chemical science","2023","14","20","5425","5430","10.1039/d3sc00035d","","","1.54184","CuKα","","0.1629","0.1416","","","0.4175","0.4408","","","","","","1.063","","","","has coordinates,has disorder","284220","2023-06-05","04:01:17",""
"1568970","9.5099","0.0002","18.1304","0.0003","14.0225","0.0002","90","","105.611","0.002","90","","2328.55","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-allyl (2-benzhydryl-5-chloro-1-(2-oxooxazolidin-3-yl)pent-1-en-1-yl) carbonate","","- C25 H26 Cl N O5 -","- C25 H26 Cl N O5 -","- C100 H104 Cl4 N4 O20 -","4","1","","Xiao, Yuanjiu; Tang, Lei; Xu, Tong-Tong; Sheng, Jiang-Yi-Hui; Zhou, Zhongyan; Yue, Lei; Wang, Guoqiang; Oestreich, Martin; Feng, Jian-Jun","Atom-economic and stereoselective catalytic synthesis of fully substituted enol esters/carbonates of amides in acyclic systems enabled by boron Lewis acid catalysis.","Chemical science","2023","14","21","5608","5618","10.1039/d3sc01394d","","x-ray","1.54184","CuKα","","0.0393","0.0363","","","0.0899","0.0918","","","","","","1.057","","","","has coordinates","284246","2023-06-05","04:13:34",""
"1568971","9.783","0.0018","10.941","0.002","22.744","0.004","90","","90","","90","","2434.4","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-1-(2-oxooxazolidin-3-yl)-2,3,3-triphenylprop-1-en-1-yl 4-fluorobenzoate","","- C31 H24 F N O4 -","- C31 H24 F N O4 -","- C124 H96 F4 N4 O16 -","4","1","","Xiao, Yuanjiu; Tang, Lei; Xu, Tong-Tong; Sheng, Jiang-Yi-Hui; Zhou, Zhongyan; Yue, Lei; Wang, Guoqiang; Oestreich, Martin; Feng, Jian-Jun","Atom-economic and stereoselective catalytic synthesis of fully substituted enol esters/carbonates of amides in acyclic systems enabled by boron Lewis acid catalysis.","Chemical science","2023","14","21","5608","5618","10.1039/d3sc01394d","","","0.71073","MoKα","","0.092","0.0714","","","0.1716","0.198","","","","","","1.082","","","","has coordinates","284246","2023-06-05","04:13:35",""
"1568972","10.1202","0.0005","16.297","0.0008","10.7828","0.0005","90","","107.539","0.002","90","","1695.72","0.14","100","2","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C29 H45 B Cl5 Ga N2 -","- C29 H45 B Cl5 Ga N2 -","- C58 H90 B2 Cl10 Ga2 N4 -","2","0.5","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0476","0.0394","","","0.0932","0.0989","","","","","","1.028","","","","has coordinates","284892","2023-07-05","09:41:59",""
"1568973","10.6403","0.0013","16.18","0.002","10.8244","0.0012","90","","111.793","0.004","90","","1730.3","0.4","100","","100","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C29 H43 B Cl5 Ga N2 O2 -","- C29 H43 B Cl5 Ga N2 O2 -","- C58 H86 B2 Cl10 Ga2 N4 O4 -","2","0.5","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0738","0.0711","","","0.1884","0.1899","","","","","","1.128","","","","has coordinates","284892","2023-07-05","09:42:00",""
"1568974","10.613","0.004","11.052","0.004","18.616","0.007","76.655","0.013","88.743","0.012","66.846","0.013","1947.7","1.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H41 B Cl6 Ga2 N2 O -","- C28 H41 B Cl6 Ga2 N2 O -","- C56 H82 B2 Cl12 Ga4 N4 O2 -","2","1","","Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.","Taming the parent oxoborane.","Chemical science","2023","14","22","5894","5898","10.1039/d3sc01544k","","","0.71073","MoKα","","0.0741","0.053","","","0.1313","0.1423","","","","","","1.038","","","","has coordinates","284892","2023-07-05","09:42:00",""
"1568978","13.745","0.004","17.557","0.005","25.813","0.01","90","","90","","90","","6229","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 Bi3 F9 N4 O17 S3 -","- C52 H50 Bi3 F9 N4 O17 S3 -","- C208 H200 Bi12 F36 N16 O68 S12 -","4","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO<sub>2</sub> and CS<sub>2</sub> into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.0263","0.0231","","","0.0541","0.0552","","","","","","1.028","","","","has coordinates,has disorder","284218","2023-06-05","03:59:31",""
"1568979","17.7035","0.0014","24.613","0.002","14.9608","0.0012","90","","90","","90","","6519","0.9","100","2","100","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C22 H27 Bi F3 N O6 S3 -","- C22 H27 Bi F3 N O6 S3 -","- C176 H216 Bi8 F24 N8 O48 S24 -","8","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO<sub>2</sub> and CS<sub>2</sub> into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.0304","0.0218","","","0.0522","0.0558","","","","","","1.053","","","","has coordinates,has disorder","284218","2023-06-05","03:59:31",""
"1568980","10.16","0.006","18.258","0.013","14.044","0.008","90","","109.56","0.03","90","","2455","3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Bi F3 N O5 S -","- C23 H29 Bi F3 N O5 S -","- C92 H116 Bi4 F12 N4 O20 S4 -","4","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO<sub>2</sub> and CS<sub>2</sub> into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.03","0.0262","","","0.0674","0.0698","","","","","","0.898","","","","has coordinates","284218","2023-06-05","03:59:31",""
"1568986","9.9704","0.0008","21.4506","0.001","9.7628","0.0005","90","","100.735","0.006","90","","2051.4","0.2","152.95","0.1","152.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O S -","- C25 H24 N2 O S -","- C100 H96 N8 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0789","0.0677","","","0.178","0.1891","","","","","","1.049","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568987","8.7409","0.0002","13.9118","0.0003","15.9596","0.0004","90","","89.742","0.002","90","","1940.69","0.08","154","4","154","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0557","0.053","","","0.1416","0.1445","","","","","","1.025","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568988","5.5494","0.0008","12.9584","0.0018","13.437","0.002","90","","95.222","0.013","90","","962.3","0.2","153","0.1","153","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C46 H40 N4 O2 S2 -","2","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.093","0.0816","","","0.2222","0.2346","","","","","","1.087","","","","has coordinates,has disorder","284248","2023-06-05","04:14:29",""
"1568989","7.1543","0.0002","11.4783","0.0004","23.2717","0.0009","90","","90","","90","","1911.05","0.11","153","1","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N3 O S -","- C23 H17 N3 O S -","- C92 H68 N12 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0535","0.0493","","","0.1307","0.1355","","","","","","1.065","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568990","15.6601","0.0002","7.171","0.0001","12.7203","0.0001","90","","96.163","0.001","90","","1420.22","0.03","153","0.1","153","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0309","0.0301","","","0.0842","0.085","","","","","","1.068","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568991","12.1913","0.0002","22.6255","0.0003","13.0947","0.0002","90","","97.309","0.001","90","","3582.62","0.09","153","0.1","153","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H12 N2 O S -","- C23 H12 N2 O S -","- C184 H96 N16 O8 S8 -","8","2","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0513","0.0446","","","0.1111","0.1164","","","","","","1.02","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568992","8.5323","0.0005","9.6457","0.0006","13.8826","0.0008","90","","84.748","0.003","90","","1137.74","0.12","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H22 Br8 N2 Te -","- C8 H22 Br8 N2 Te -","- C16 H44 Br16 N4 Te2 -","2","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual <i>cis</i>-/<i>anti</i>-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","0.71073","MoKα","","0.0633","0.0604","","","0.1728","0.1754","","","","","","1.065","","","","has coordinates","284890","2023-07-05","09:39:27",""
"1568993","17.227","0.0002","9.6868","0.0001","14.0647","0.0002","90","","90","","90","","2347.04","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H22 Br8 N2 Sn -","- C8 H22 Br8 N2 Sn -","- C32 H88 Br32 N8 Sn4 -","4","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual <i>cis</i>-/<i>anti</i>-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.54184","CuKα","","0.0417","0.0406","","","0.1103","0.1121","","","","","","1.054","","","","has coordinates,has disorder","284890","2023-07-05","09:39:39",""
"1568994","8.7336","0.0008","9.84","0.0008","13.8013","0.001","90","","90","","90","","1186.06","0.17","325","","325","","","","","","","","","5","P m 21 n","P -2ab -2","31","","","","- C8 H22 Br8 N2 Te -","- C7.5 H22 Br8 N2 Te -","- C15 H44 Br16 N4 Te2 -","2","0.5","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual <i>cis</i>-/<i>anti</i>-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.34138","GaKα","","0.115","0.0823","","","0.245","0.2933","","","","","","0.993","","","","has coordinates,has disorder","284890","2023-07-05","09:39:42",""
"1568995","8.7521","0.0007","9.7104","0.0006","14.0201","0.0011","90","","94.43","0.008","90","","1187.96","0.15","350","2","350","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H22 Br8 N2 Sn -","- C8 H22 Br8 N2 Sn -","- C16 H44 Br16 N4 Sn2 -","2","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual <i>cis</i>-/<i>anti</i>-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.54184","CuKα","","0.0885","0.0796","","","0.2463","0.2553","","","","","","1.066","","","","has coordinates,has disorder","284890","2023-07-05","09:39:53",""
"1568996","17.9138","0.0006","6.1604","0.0002","15.2956","0.0006","90","","106.418","0.004","90","","1619.14","0.1","150","0.1","150","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0626","0.0562","","","0.1412","0.1477","","","","","","1.041","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1568997","6.55997","0.00012","14.3262","0.0003","17.4645","0.0004","90","","90","","90","","1641.3","0.06","149.95","0.1","149.95","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.058","0.0541","","","0.1472","0.1513","","","","","","1.043","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1568998","6.1934","0.0002","13.5942","0.0004","20.6761","0.0006","90","","90","","90","","1740.81","0.09","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0615","0.0519","","","0.1406","0.1477","","","","","","1.103","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1568999","6.0277","0.0001","10.7851","0.0002","25.2404","0.0004","90","","90","","90","","1640.86","0.05","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0814","0.0792","","","0.1914","0.1933","","","","","","1.068","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1569000","15.3362","0.0003","6.9513","0.00012","16.3195","0.0003","90","","101.082","0.0018","90","","1707.32","0.06","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18.5 H28 O3.5 -","- C18.5 H28 O3.5 -","- C74 H112 O14 -","4","2","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0421","0.0401","","","0.1058","0.1075","","","","","","1.06","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1569001","25.3714","0.0005","6.05801","0.0001","23.3168","0.0005","90","","112.787","0.002","90","","3304.09","0.12","150","0.1","150","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C152 H208 O16 -","8","2","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0474","0.0446","","","0.1146","0.1169","","","","","","1.069","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1569002","9.5123","0.0001","11.7533","0.0002","16.8232","0.0002","109.487","0.001","90.441","0.001","100.671","0.001","1737.54","0.04","149.99","0.1","149.99","0.1","","","","","","","","3","P 1","P 1","1","","","","- C76 H104 O12 -","- C76 H104 O12 -","- C76 H104 O12 -","1","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0592","0.0558","","","0.1413","0.144","","","","","","1.026","","","","has coordinates,has disorder","284243","2023-06-05","04:11:18",""
"1569003","13.6165","0.0006","25.2859","0.001","13.6152","0.0005","90","","90","","90","","4687.8","0.3","173","","173","","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C24 H52 Cl6 Cu4 N8 O12 P6 -","- C24 H52 Cl6 Cu4 N8 O12 P6 -","- C96 H208 Cl24 Cu16 N32 O48 P24 -","4","0.25","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.0319","0.0271","","","0.062","0.0645","","","","","","1.032","","","","has coordinates","301209","2025-07-10","11:18:52",""
"1569004","13.8592","0.0005","13.8592","0.0005","13.1579","0.0007","90","","90","","90","","2527.34","0.19","193","","193","","","","","","","","","7","P 4/m","-P 4","83","","","","- C12 H20 Cu2 I3 N4 O6 P3 -","- C12 H20 Cu2 I3 N4 O6 P3 -","- C48 H80 Cu8 I12 N16 O24 P12 -","4","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.138","0.1364","","","0.3418","0.3424","","","","","","1.122","","","","has coordinates,has disorder","284227","2023-06-05","04:03:48",""
"1569005","13.669","0.0006","13.669","0.0006","51.32","0.003","90","","90","","90","","9588.7","0.8","173","","173","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C24 H52 Br6 Cu4 N8 O12 P6 -","- C24 H52 Br6 Cu4 N8 O12 P6 -","- C192 H416 Br48 Cu32 N64 O96 P48 -","8","0.25","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.0402","0.0323","","","0.0797","0.084","","","","","","1.077","","","","has coordinates","301209","2025-07-10","11:18:52",""
"1569006","31.6991","0.0018","18.5153","0.0009","15.1604","0.0008","90","","94.55","0.002","90","","8869.9","0.8","120","2","120.06","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H62 Cl2 Ge N3 -","- C47 H62 Cl2 Ge N3 -","- C376 H496 Cl16 Ge8 N24 -","8","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","0.71073","MoKα","","0.0535","0.0428","","","0.1101","0.1172","","","","","","1.0575","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14",""
"1569007","12.7334","0.0007","13.204","0.003","14.396","0.0006","98.596","0.005","101.664","0.003","96.759","0.006","2316.3","0.6","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H72 Ge N3 -","- C51 H72 Ge N3 -","- C102 H144 Ge2 N6 -","2","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34138","GaKα","","0.0398","0.0383","","","0.0995","0.1008","","","","","","1.054","","","","has coordinates","284245","2023-06-05","04:13:14",""
"1569008","14.4571","0.0007","42.796","0.002","15.4362","0.0009","90","","94.595","0.003","90","","9519.8","0.8","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C108.28 H157.32 Li6 N6 -","- C94 H124 Li6 N6 -","- C376 H496 Li24 N24 -","4","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","GaKα","","0.0975","0.0639","","","0.1761","0.1958","","","","","","1.048","","","","has coordinates","284245","2023-06-05","04:13:14",""
"1569009","14.292","0.008","14.502","0.008","15.149","0.009","70.44","0.02","79.46","0.02","67.63","0.02","2730","3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C114 H168 Ge2 K2 N6 O2 Se2 -","- C94 H124 Ge2 K2 N6 Se2 -","- C94 H124 Ge2 K2 N6 Se2 -","1","0.5","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","synchrotron","","0.054","0.0481","","","0.1435","0.1502","","","","","","1.0533","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14",""
"1569010","14.1535","","14.2181","","15.1396","","79.781","","70.505","","68.035","","2658.68","","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H154 Ge2 K2 N6 O2 S2 -","- C94 H124 Ge2 K2 N6 S2 -","- C94 H124 Ge2 K2 N6 S2 -","1","0.5","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","synchrotron","","0.0706","0.0591","","","0.1839","0.2003","","","","","","1.0354","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14",""
"1569011","11.0177","0.0007","21.7711","0.0013","24.2953","0.0016","90","","92.991","0.003","90","","5819.7","0.6","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H86 Ge K N3 O3 -","- C59 H86 Ge K N3 O3 -","- C236 H344 Ge4 K4 N12 O12 -","4","1","","Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting","A crystalline T-shaped planar group 14 anion.","Chemical science","2023","14","21","5722","5727","10.1039/d2sc07006e","","","1.34139","synchrotron","","0.0589","0.0492","","","0.1344","0.1407","","","","","","1.0263","","","","has coordinates,has disorder","284245","2023-06-05","04:13:14",""
"1569012","13.0586","0.0002","18.1083","0.0003","18.9686","0.0002","81.401","0.001","80.919","0.001","74.937","0.001","4249.3","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H128 Dy2 K N6 O9 -","- C84 H128 Dy2 K N6 O9 -","- C168 H256 Dy4 K2 N12 O18 -","2","1","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","0.71073","MoKα","","0.0561","0.0513","","","0.1308","0.1338","","","","","","1.103","","","","has coordinates,has disorder","284247","2023-06-05","04:13:54",""
"1569013","15.59","0.0002","13.659","0.0001","15.5654","0.0002","90","","116.337","0.001","90","","2970.51","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C68 H84 Gd2 N4 -","- C68 H84 Gd2 N4 -","- C136 H168 Gd4 N8 -","2","0.25","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","1.54184","CuKα","","0.0246","0.024","","","0.061","0.0613","","","","","","1.103","","","","has coordinates,has disorder","284247","2023-06-05","04:13:58",""
"1569014","10.5529","0.0006","11.023","0.0006","12.4361","0.0007","67.772","0.001","87.537","0.001","79.199","0.001","1314.78","0.13","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H76 Dy2 N4 -","- C61 H76 Dy2 N4 -","- C61 H76 Dy2 N4 -","1","0.5","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","","0.71073","MoKα","","0.0205","0.0194","","","0.0464","0.0475","","","","","","1.074","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01",""
"1569015","27.9083","0.0018","13.6251","0.0002","15.5343","0.001","90","","149.942","0.018","90","","2958.7","1.6","100","0.1","100","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C68 H84 N4 Tb2 -","- C68 H84 N4 Tb2 -","- C136 H168 N8 Tb4 -","2","0.25","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","1.54184","CuKα","","0.0258","0.0251","","","0.0617","0.062","","","","","","1.1","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01",""
"1569016","13.0078","0.0001","18.0377","0.0002","18.9498","0.0002","81.515","0.001","81.572","0.001","74.853","0.001","4217.51","0.08","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H128 Gd2 K N6 O9 -","- C84 H128 Gd2 K N6 O9 -","- C168 H256 Gd4 K2 N12 O18 -","2","1","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","","0.71073","MoKα","","0.0483","0.0402","","","0.1003","0.1047","","","","","","1.063","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01",""
"1569017","12.9981","0.0001","18.0236","0.0002","18.9237","0.0002","81.646","0.001","81.526","0.001","74.92","0.001","4207.27","0.08","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H127 K N6 O9 Tb2 -","- C84 H127 K N6 O9 Tb2 -","- C168 H254 K2 N12 O18 Tb4 -","2","1","","Benner, Florian; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Demir, Selvan","Magnetic hysteresis and large coercivity in bisbenzimidazole radical-bridged dilanthanide complexes.","Chemical science","2023","14","21","5577","5592","10.1039/d3sc01562a","","x-ray","0.71073","MoKα","","0.0698","0.0575","","","0.1417","0.1584","","","","","","1.117","","","","has coordinates,has disorder","284247","2023-06-05","04:14:01",""
"1569019","14.8421","0.0004","6.7381","0.0002","12.6407","0.0006","90","","120.534","0.002","90","","1088.86","0.07","305","","305","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H8 Br2 N2 O6 -","- C5 H8 Br2 N2 O6 -","- C20 H32 Br8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0469","0.0408","","","0.0952","0.098","","","","","","1.132","","","","has coordinates","284900","2023-07-05","09:45:23",""
"1569020","6.737","0.0004","12.6197","0.0007","27.5521","0.0014","90","","90","","90","","2342.4","0.2","305","","305","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 I N3 O9 -","- C5 H7.5 I N3 O9 -","- C40 H60 I8 N24 O72 -","8","2","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.084","0.0503","","","0.112","0.13","","","","","","0.976","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1569021","12.074","0.004","6.959","0.003","22.562","0.009","90","","90.017","0.013","90","","1895.7","1.3","250","","250","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H8 Cl3 N O3 -","- C5 H8 Cl3 N O3 -","- C40 H64 Cl24 N8 O24 -","8","2","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0361","0.0296","","","0.0613","0.0645","","","","","","1.057","","","","has coordinates","299663","2025-05-14","10:18:00",""
"1569022","7.0321","0.0003","11.3862","0.0005","7.2912","0.0003","90","","118.747","0.002","90","","511.85","0.04","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H8 Br3 N O3 -","- C5 H8 Br3 N O3 -","- C10 H16 Br6 N2 O6 -","2","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0881","0.0355","","","0.0577","0.0672","","","","","","1.013","","","","has coordinates","284900","2023-07-05","09:45:39",""
"1569023","12.5956","0.0011","6.6449","0.0006","27.335","0.002","90","","102.653","0.005","90","","2232.3","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 Cl N3 O9 -","- C5 H8 Cl N3 O9 -","- C40 H64 Cl8 N24 O72 -","8","2","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.086","0.0809","","","0.2314","0.2351","","","","","","1.094","","","","has coordinates","299663","2025-05-14","10:18:00",""
"1569024","7.5161","0.0002","11.0417","0.0003","14.1414","0.0003","90","","92.476","0.002","90","","1172.51","0.05","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N3 O9 -","- C6 H11 N3 O9 -","- C24 H44 N12 O36 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0621","0.0463","","","0.1152","0.1297","","","","","","1.026","","","","has coordinates","284900","2023-07-05","09:45:47",""
"1569025","6.6728","0.0009","12.5692","0.0019","27.033","0.004","90","","90","","90","","2267.3","0.6","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 Br N3 O9 -","- C5 H8 Br N3 O9 -","- C40 H64 Br8 N24 O72 -","8","2","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0486","0.0336","","","0.0785","0.0854","","","","","","1.036","","","","has coordinates","299663","2025-05-14","10:18:00",""
"1569026","13.1616","0.0008","13.0126","0.0008","6.7544","0.0004","90","","98.802","0.005","90","","1143.18","0.12","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 I2 N2 O6 -","- C5 H8 I2 N2 O6 -","- C20 H32 I8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","x-ray","0.71073","MoKα","","0.0425","0.0288","","","0.0609","0.0706","","","","","","1.054","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569027","14.7924","0.0015","6.6138","0.0006","12.57","0.002","90","","121.68","0.004","90","","1046.5","0.2","296","","296","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H8 Cl2 N2 O6 -","- C5 H8 Cl2 N2 O6 -","- C20 H32 Cl8 N8 O24 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0279","0.0258","","","0.0618","0.0632","","","","","","1.065","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569028","6.9671","0.0002","12.3623","0.0005","26.6682","0.0012","90","","90","","90","","2296.92","0.15","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 I3 N O3 -","- C5 H8 I3 N O3 -","- C40 H64 I24 N8 O24 -","8","2","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0585","0.0376","","","0.0828","0.0931","","","","","","1.027","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569029","18.046","0.0017","9.8055","0.001","24.994","0.003","90","","110.269","0.004","90","","4148.8","0.8","150","2","150","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C112 H67 N24 O32 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","1","0.5","","Yuan, Amelia T.; Stillman, Martin J.","Arsenic binding to human metallothionein-3.","Chemical science","2023","14","21","5756","5767","10.1039/d3sc00400g","","","1.34139","GaKα","","0.0618","0.0587","","","0.1826","0.1847","","","","","","1.083","","","","has coordinates,has disorder","284240","2023-06-05","04:10:09",""
"1569049","10.1108","0.0001","34.6407","0.0002","11.5453","0.0001","90","","112.005","0.001","90","","3749.11","0.06","173.01","0.1","173.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H63 B N3 Na O Si3 -","- C28 H63 B N3 Na O Si3 -","- C112 H252 B4 N12 Na4 O4 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0432","0.036","","","0.0958","0.1027","","","","","","1.061","","","","has coordinates,has disorder","284883","2023-07-05","09:34:57",""
"1569050","12.50294","0.0001","16.73895","0.00015","15.65536","0.00013","90","","98.9971","0.0008","90","","3236.14","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H55 B N3 Na Si3 -","- C21 H55 B N3 Na Si3 -","- C84 H220 B4 N12 Na4 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0577","0.0511","","","0.1415","0.1492","","","","","","1.069","","","","has coordinates","284883","2023-07-05","09:35:10",""
"1569051","11.0817","0.0001","18.6842","0.0002","16.2208","0.0002","90","","93.358","0.001","90","","3352.79","0.06","100.3","0.5","100.3","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H55 B N3 Na Si2 -","- C29 H55 B N3 Na Si2 -","- C116 H220 B4 N12 Na4 Si8 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0643","0.0549","","","0.1474","0.1574","","","","","","1.071","","","","has coordinates,has disorder","284883","2023-07-05","09:35:13",""
"1569052","10.09239","0.00018","17.0772","0.0003","18.2578","0.0003","90","","95.549","0.0017","90","","3131.98","0.09","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H55 B Li N3 Si3 -","- C21 H55 B Li N3 Si3 -","- C84 H220 B4 Li4 N12 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0501","0.0479","","","0.1382","0.1436","","","","","","1.126","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14",""
"1569053","12.5688","0.0015","17.32","0.002","16.3239","0.001","90","","91.481","0.007","90","","3552.4","0.6","100.35","0.1","100.35","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H61 B N3 Na Si3 -","- C27 H61 B N3 Na Si3 -","- C108 H244 B4 N12 Na4 Si12 -","4","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","x-ray","1.54184","CuKα","","0.0875","0.0727","","","0.1906","0.2101","","","","","","1.062","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14",""
"1569054","11.6411","0.0001","18.6662","0.0001","33.6871","0.0002","90","","90","","90","","7320.04","0.09","99.99","0.1","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H59 B N3 Na O2 Si2 -","- C30.673 H58.346 B N3 Na O1.673 Si2 -","- C245.384 H466.768 B8 N24 Na8 O13.384 Si16 -","8","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","","1.54184","CuKα","","0.0469","0.0459","","","0.1074","0.108","","","","","","1.136","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14",""
"1569055","6.9978","0.0001","14.4109","0.0003","12.2598","0.0002","90","","91.455","0.002","90","","1235.94","0.04","99.9","0.7","99.9","0.7","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 F3 N O5 S2 -","- C26 H20 F3 N O5 S2 -","- C52 H40 F6 N2 O10 S4 -","2","1","","Zhang, Zhi-Xin; Liu, Li-Gao; Liu, Yi-Xi; Lin, Jian; Lu, Xin; Ye, Long-Wu; Zhou, Bo","Organocatalytic intramolecular (4 + 2) annulation of enals with ynamides: atroposelective synthesis of axially chiral 7-aryl indolines.","Chemical science","2023","14","22","5918","5924","10.1039/d3sc01880f","","x-ray","1.54184","CuKα","","0.0493","0.0478","","","0.1294","0.1351","","","","","","1.097","","","","has coordinates","284893","2023-07-05","09:42:10",""
"1569056","13.7393","0.0004","13.7546","0.0005","14.7849","0.0006","112.76","0.004","91.008","0.003","93.713","0.003","2568.3","0.18","140","0.11","140","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C48 H69 Cl3 O6 Si3 -","- C48 H69 Cl3 O6 Si3 -","- C96 H138 Cl6 O12 Si6 -","2","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0477","0.0362","","","0.0908","0.0979","","","","","","1.026","","","","has coordinates","284891","2023-07-05","09:41:25",""
"1569057","25.2554","0.0011","11.0935","0.0006","25.7721","0.0014","90","","105.25","0.005","90","","6966.3","0.6","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H99 Ce K2 O12 Si3 -","- C60 H99 Ce K2 O12 Si3 -","- C240 H396 Ce4 K8 O48 Si12 -","4","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.1349","0.0762","","","0.1703","0.2","","","","","","1.017","","","","has coordinates,has disorder","284891","2023-07-05","09:41:28",""
"1569058","13.2982","0.0005","13.6413","0.0004","17.7827","0.0006","86.91","0.003","69.976","0.003","85.916","0.003","3021.66","0.19","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H69 Ce Cl O9 Si3 -","- C48 H69 Ce Cl O9 Si3 -","- C96 H138 Ce2 Cl2 O18 Si6 -","2","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.073","0.0584","","","0.1513","0.1636","","","","","","1.022","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569059","14.0331","0.0003","15.4209","0.0004","16.938","0.0004","109.329","0.002","108.864","0.002","101.873","0.002","3065.72","0.16","139.99","0.1","139.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C59 H85 Ce O10 Si3 -","- C59 H85 Ce O10 Si3 -","- C118 H170 Ce2 O20 Si6 -","2","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","0.71073","MoKα","","0.0564","0.0421","","","0.0994","0.1078","","","","","","1.08","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569060","13.5317","0.0009","19.775","0.0016","20.4919","0.0012","67.818","0.006","89.464","0.005","89.905","0.006","5077.4","0.6","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H72 O9 Si3 -","- C48 H72 O9 Si3 -","- C192 H288 O36 Si12 -","4","2","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.1621","0.0634","","","0.0994","0.1382","","","","","","0.854","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569061","15.5349","0.0004","16.9728","0.0005","21.2514","0.0006","112.666","0.003","95.795","0.002","108.276","0.002","4749.9","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C132 H210 K8 N4 O30 Si6 -","- C132 H210 K8 N4 O30 Si6 -","- C132 H210 K8 N4 O30 Si6 -","1","0.5","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0521","0.041","","","0.1096","0.1167","","","","","","1.041","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569062","13.54182","0.00009","33.4467","0.0002","20.39623","0.00015","90","","91.1616","0.0006","90","","9236.15","0.11","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C134 H210 Ce2 K2 N4 O34 Si6 -","- C134 H210 Ce2 K2 N4 O34 Si6 -","- C268 H420 Ce4 K4 N8 O68 Si12 -","2","0.5","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0348","0.0315","","","0.0817","0.0839","","","","","","1.043","","","","has coordinates","284891","2023-07-05","09:41:30",""
"1569063","29.21058","0.00019","18.42416","0.00015","29.16367","0.00018","90","","98.1608","0.0007","90","","15536.4","0.19","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H186 K8 O24 Si6 -","- C120 H186 K8 O24 Si6 -","- C480 H744 K32 O96 Si24 -","4","0.5","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0331","0.0301","","","0.0817","0.084","","","","","","1.035","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569064","20.1856","0.0004","20.8622","0.0004","21.3727","0.0004","90","","105.036","0.002","90","","8692.2","0.3","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H133 Ce K N2 O18 Si3 -","- C78 H133 Ce K N2 O18 Si3 -","- C312 H532 Ce4 K4 N8 O72 Si12 -","4","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0805","0.056","","","0.1406","0.1613","","","","","","1.056","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569065","13.77347","0.00011","45.4297","0.0004","15.21804","0.00013","90","","93.1526","0.0007","90","","9507.89","0.14","140","0.1","140","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H130 Ce K N2 O17 P Si3 -","- C76 H130 Ce K N2 O17 P Si3 -","- C304 H520 Ce4 K4 N8 O68 P4 Si12 -","4","1","","Hsueh, Fang-Che; Rajeshkumar, Thayalan; Maron, Laurent; Scopelliti, Rosario; Sienkiewicz, Andrzej; Mazzanti, Marinella","Isolation and redox reactivity of cerium complexes in four redox states.","Chemical science","2023","14","22","6011","6021","10.1039/d3sc01478a","","x-ray","1.54184","CuKα","","0.0586","0.0554","","","0.1199","0.1213","","","","","","1.148","","","","has coordinates,has disorder","284891","2023-07-05","09:41:30",""
"1569107","9.6342","0.0006","21.7612","0.0013","9.6649","0.0006","90","","90","","90","","2026.3","0.2","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0297","0.0297","","","0.0776","0.0776","","","","","","1.072","","","","has coordinates","284911","2023-07-05","09:56:02",""
"1569108","10.2681","0.0008","13.4445","0.001","18.5225","0.0014","75.214","0.003","78.879","0.003","68.82","0.002","2290.9","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N O4 -","- C31 H25 N O4 -","- C124 H100 N4 O16 -","4","2","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0347","0.0328","","","0.0875","0.0893","","","","","","1.045","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569109","9.7117","0.0006","17.1656","0.0011","19.8546","0.0013","90","","90","","90","","3309.9","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C176 H144 O32 -","8","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0476","0.0417","","","0.1076","0.1131","","","","","","1.041","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569110","19.1967","0.0009","13.7962","0.0006","13.848","0.0006","90","","90","","90","","3667.5","0.3","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C184 H152 N8 O40 -","8","2","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0343","0.0341","","","0.0903","0.0906","","","","","","1.045","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569111","11.0296","0.0003","13.7412","0.0003","17.5524","0.0004","90","","90","","90","","2660.24","0.11","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C124 H116 N4 O28 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0238","0.0238","","","0.0613","0.0613","","","","","","1.068","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569112","9.7429","0.0007","14.3116","0.001","18.0645","0.0012","67.127","0.0015","81.542","0.0016","80.5606","0.0017","2279.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H54 N2 O15 -","- C52 H54 N2 O15 -","- C104 H108 N4 O30 -","2","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0554","0.0483","","","0.1297","0.1365","","","","","","1.037","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569113","8.6339","0.0002","15.244","0.0003","33.422","0.0006","83.1131","0.0013","89.851","0.0013","83.6116","0.0014","4339.73","0.15","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H86 N4 O9 S8 -","- C104 H86 N4 O9 S8 -","- C208 H172 N8 O18 S16 -","2","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0823","0.0609","","","0.1288","0.1436","","","","","","1.101","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569114","12.622","0.0011","9.9052","0.0009","13.1752","0.0011","90","","96.22","0.003","90","","1637.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0506","0.0459","","","0.1176","0.1223","","","","","","1.03","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569115","7.9089","0.0003","21.0205","0.0009","13.341","0.0006","90","","96.0784","0.0016","90","","2205.46","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0413","0.0373","","","0.0945","0.0978","","","","","","1.039","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569116","11.2062","0.001","11.4773","0.0011","16.2488","0.0015","90","","94.0553","0.0018","90","","2084.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0515","0.0462","","","0.1216","0.1275","","","","","","1.047","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569117","11.3403","0.0004","11.8742","0.0004","12.8266","0.0005","75.401","0.0015","71.361","0.0015","62.6841","0.0013","1442.67","0.09","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H28 N2 O10 -","- C34 H28 N2 O10 -","- C68 H56 N4 O20 -","2","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0426","0.037","","","0.0974","0.1012","","","","","","1.069","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569118","12.199","0.005","14.356","0.005","21.64","0.005","83.953","0.005","86.895","0.005","66.88","0.005","3466","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 Cl2 N10 O Zn1.5 -","- C72 H72 Cl2 N10 O Zn1.5 -","- C144 H144 Cl4 N20 O2 Zn3 -","2","1","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.393","0.1591","","","0.349","0.4507","","","","","","1.013","","","","has coordinates","284896","2023-07-05","09:43:17",""
"1569119","11.212","0.0009","13.3082","0.0011","19.7177","0.0015","73.666","0.002","84.633","0.002","68.645","0.002","2629.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H100 Cl4 N12 O2 Zn2.4 -","- C120 H100 Cl4 N12 O2 Zn2.387 -","- C120 H100 Cl4 N12 O2 Zn2.387 -","1","0.5","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.1071","0.0712","","","0.1985","0.2202","","","","","","1.059","","","","has coordinates","284896","2023-07-05","09:43:21",""
"1569120","12.967","0.002","14.683","0.002","17.866","0.003","82.663","0.004","72.777","0.004","72.012","0.004","3087.8","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C132 H128 Cl4 N16 O2 Zn3 -","- C132 H128 Cl4 N16 O2 Zn3 -","- C132 H128 Cl4 N16 O2 Zn3 -","1","1","","Dhamija, Avinash; Chandel, Dolly; Rath, Sankar Prasad","Modulation of supramolecular chirality by stepwise axial coordination in a nano-size trizinc(ii)porphyrin trimer.","Chemical science","2023","14","22","6032","6038","10.1039/d3sc00858d","","","0.71073","MoKα","","0.0506","0.0452","","","0.1058","0.1086","","","","","","1.007","","","","has coordinates","284896","2023-07-05","09:43:31",""
"1569121","9.26934","0.00012","14.15286","0.00015","12.30478","0.00015","90","","111.354","0.0014","90","","1503.42","0.03","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 -","- C16 H18 Cl N3 -","- C64 H72 Cl4 N12 -","4","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0366","0.0357","","","0.0967","0.0974","","","","","","1.098","","","","has coordinates","284904","2023-07-05","09:48:05",""
"1569122","13.3991","0.0002","9.824","0.0001","13.8269","0.0002","90","","105.917","0.001","90","","1750.29","0.04","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl N4 O -","- C19 H19 Cl N4 O -","- C76 H76 Cl4 N16 O4 -","4","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0401","0.0393","","","0.1039","0.1045","","","","","","1.037","","","","has coordinates","284904","2023-07-05","09:48:05",""
"1569123","13.57251","0.00016","22.5778","0.0002","17.07448","0.00017","90","","99.922","0.0011","90","","5154","0.09","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H104 Au6 B2 Cl2 F8 N18 -","- C98 H104 Au6 B2 Cl2 F8 N18 -","- C196 H208 Au12 B4 Cl4 F16 N36 -","2","0.5","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0593","0.0496","","","0.1311","0.1376","","","","","","1.028","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569124","14.44142","0.00013","43.0804","0.0004","17.47381","0.00012","90","","92.7197","0.0007","90","","10859","0.16","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H98 Au6 B2 Cl2 F8 N24 -","- C116 H98 Au6 B2 Cl2 F8 N24 -","- C464 H392 Au24 B8 Cl8 F32 N96 -","4","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.0449","0.0379","","","0.0949","0.0985","","","","","","1.033","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569125","28.2746","0.0008","33.2019","0.0008","29.4805","0.001","90","","106.484","0.003","90","","26537.9","1.4","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C103 H111 Ag3 Au6 B5 F20 N21 -","- C103 H111 Ag3 Au6 B5 F20 N21 -","- C824 H888 Ag24 Au48 B40 F160 N168 -","8","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.1197","0.097","","","0.2906","0.3128","","","","","","1.109","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569126","35.541","0.0003","15.07664","0.00017","50.5683","0.0005","90","","93.2056","0.0009","90","","27054.1","0.5","93","2","93","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C123 H109 Ag4 Au6 B6 Cl4 F24 N27 -","- C123 H108.5 Ag4 Au6 B6 Cl4 F24 N27 -","- C984 H868 Ag32 Au48 B48 Cl32 F192 N216 -","8","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.068","0.0605","","","0.1686","0.1753","","","","","","1.05","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569127","50.442","0.007","17.173","0.002","36.609","0.008","90","","126.454","0.009","90","","25507","8","260","","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0565","0.0415","","","0.0942","0.1033","","","","","","1.025","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569128","50.415","0.008","17.153","0.003","36.605","0.009","90","","126.479","0.01","90","","25453","9","250","","250","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0552","0.0403","","","0.1012","0.1128","","","","","","1.025","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569129","50.174","0.002","17.1013","0.0007","36.5414","0.0018","90","","126.54","0.001","90","","25191.1","1.9","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.063","0.0455","","","0.1001","0.1133","","","","","","1.034","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569130","50.377","0.007","17.131","0.002","36.574","0.008","90","","126.572","0.007","90","","25349","8","230","","230","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.051","0.0362","","","0.0938","0.106","","","","","","1.03","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569131","50.203","0.003","17.1051","0.0008","36.545","0.002","90","","126.57","0.002","90","","25204","2","190","","190","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0561","0.0389","","","0.0876","0.1001","","","","","","1.029","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569132","50.392","0.008","17.139","0.003","36.582","0.008","90","","126.549","0.008","90","","25382","9","240","","240","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0528","0.038","","","0.0995","0.112","","","","","","1.028","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569133","50.309","0.009","17.123","0.003","36.562","0.009","90","","126.516","0.009","90","","25313","9","210","","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0531","0.0369","","","0.0948","0.1081","","","","","","1.041","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569134","50.01","0.011","17.139","0.004","35.795","0.012","90","","126.497","0.01","90","","24664","12","320","","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0724","0.0483","","","0.1108","0.1243","","","","","","1.032","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569135","50.078","0.012","17.124","0.004","35.793","0.013","90","","126.195","0.013","90","","24770","13","330","","330","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.081","0.0514","","","0.1182","0.1369","","","","","","1.046","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569136","14.2111","0.0008","20.6527","0.001","36.062","0.002","90","","98.644","0.002","90","","10463.9","1","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H77 N36 O20 -","- C84 H77 N36 O20 -","- C336 H308 N144 O80 -","4","1","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.0831","0.0576","","","0.1381","0.1518","","","","","","1.015","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569137","49.939","0.01","17.159","0.003","35.77","0.01","90","","126.581","0.009","90","","24614","10","310","","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0622","0.0424","","","0.1061","0.1185","","","","","","1.024","","","","has coordinates,has disorder","284907","2023-07-05","09:54:29",""
"1569138","49.985","0.008","17.153","0.003","35.852","0.009","90","","126.717","0.009","90","","24641","9","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0446","0.0326","","","0.0809","0.088","","","","","","1.02","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569139","49.896","0.008","17.153","0.003","35.759","0.008","90","","126.629","0.007","90","","24561","8","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H184 N76 O66 U6 -","- C204 H184 N76 O66 U6 -","- C816 H736 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0514","0.0367","","","0.0955","0.1051","","","","","","1.029","","","","has coordinates,has disorder","284907","2023-07-05","09:54:29",""
"1569140","50.132","0.007","17.158","0.003","36.049","0.008","90","","126.771","0.007","90","","24839","8","280","","280","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.0441","0.0327","","","0.0882","0.0953","","","","","","1.013","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569141","50.361","0.012","17.16","0.004","36.437","0.013","90","","126.564","0.012","90","","25291","13","270","","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71076","MoKα","","0.06","0.0465","","","0.1117","0.1192","","","","","","1.051","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569142","50.17","0.003","17.1438","0.0012","36.311","0.002","90","","126.806","0.002","90","","25006","3","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1035","0.0694","","","0.1646","0.1829","","","","","","1.043","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569143","50.341","0.003","17.162","0.0012","36.333","0.002","90","","126.839","0.002","90","","25122","3","260","2","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1029","0.0638","","","0.1534","0.1754","","","","","","1.022","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569144","50.335","0.003","17.1605","0.0012","36.326","0.002","90","","126.834","0.002","90","","25114","3","250","2","250","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1009","0.0633","","","0.1542","0.1755","","","","","","1.028","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569145","50.33","0.003","17.1651","0.0012","36.311","0.002","90","","126.842","0.002","90","","25105","3","260","2","260","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1021","0.0638","","","0.1537","0.1756","","","","","","1.012","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569146","50.273","0.003","17.1706","0.0012","36.207","0.002","90","","126.895","0.002","90","","24995","3","280","2","280","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1032","0.0633","","","0.1514","0.1731","","","","","","1.016","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569147","50.275","0.003","17.1463","0.0012","36.288","0.002","90","","126.859","0.002","90","","25029","3","210","2","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.099","0.0636","","","0.1554","0.1752","","","","","","1.045","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569148","50.254","0.003","17.1723","0.0012","36.173","0.002","90","","126.907","0.002","90","","24961","3","280","2","280","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1022","0.0633","","","0.1525","0.1742","","","","","","1.013","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569149","50.296","0.003","17.1689","0.0012","36.239","0.002","90","","126.873","0.002","90","","25034","3","270","2","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1021","0.0633","","","0.1514","0.1726","","","","","","1.018","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569150","50.321","0.003","17.1678","0.0012","36.282","0.002","90","","126.859","0.002","90","","25079","3","270","2","270","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1021","0.0627","","","0.151","0.1734","","","","","","1.005","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569151","50.184","0.003","17.1664","0.0012","36.104","0.002","90","","126.911","0.002","90","","24869","3","290","2","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1044","0.0639","","","0.1546","0.1762","","","","","","1.035","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569152","49.979","0.003","17.1586","0.0012","35.912","0.002","90","","126.778","0.002","90","","24667","3","330","2","330","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1217","0.0684","","","0.163","0.1917","","","","","","1.01","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569153","50.132","0.003","17.1643","0.0012","36.047","0.002","90","","126.895","0.002","90","","24806","3","300","2","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H182 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1079","0.0651","","","0.1589","0.1829","","","","","","1.022","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569154","50.227","0.003","17.17","0.0012","36.146","0.002","90","","126.913","0.002","90","","24924","3","290","2","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1038","0.0636","","","0.1564","0.1795","","","","","","1.005","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569155","50.01","0.003","17.1627","0.0012","35.932","0.002","90","","126.811","0.002","90","","24692","3","320","2","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1143","0.0672","","","0.1614","0.1874","","","","","","1.023","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569156","50.073","0.003","17.1624","0.0012","35.989","0.002","90","","126.86","0.002","90","","24746","3","310","2","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.112","0.0664","","","0.1623","0.1877","","","","","","1.013","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569157","50.041","0.003","17.1622","0.0012","35.968","0.002","90","","126.838","0.002","90","","24722","3","320","2","320","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1178","0.0672","","","0.1601","0.1873","","","","","","1.005","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569158","50.105","0.003","17.1636","0.0012","36.026","0.002","90","","126.878","0.002","90","","24783","3","310","2","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1111","0.0657","","","0.1583","0.183","","","","","","1.022","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569159","50.161","0.003","17.165","0.0012","36.082","0.002","90","","126.907","0.002","90","","24842","3","300","2","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H188 N76 O66 U6 -","- C204 H188 N76 O66 U6 -","- C816 H752 N304 O264 U24 -","4","0.5","","Jin, Qiu-Yan; Liang, Yuan-Yuan; Zhang, Zhi-Hui; Meng, Liao; Geng, Jun-Shan; Hu, Kong-Qiu; Yu, Ji-Pan; Chai, Zhi-Fang; Mei, Lei; Shi, Wei-Qun","Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework <i>via</i> thermally induced relaxation.","Chemical science","2023","14","23","6330","6340","10.1039/d3sc01343j","","","0.71073","MoKα","","0.1068","0.064","","","0.1552","0.1785","","","","","","1.021","","","","has coordinates","284907","2023-07-05","09:54:29",""
"1569160","13.6441","0.0002","13.8612","0.0002","25.181","0.0005","90","","103.182","0.0019","90","","4636.84","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H61 N5 O4 -","- C53 H61 N5 O4 -","- C212 H244 N20 O16 -","4","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp<sup>3</sup> C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","","1.54184","CuKα","","0.0527","0.0431","","","0.1147","0.1206","","","","","","1.054","","","","has coordinates","286027","2023-09-05","19:04:38",""
"1569161","9.56","0.13","19.48","0.12","15.5","0.3","90","","94.1","0.2","90","","2879","7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N2 O2 -","- C30 H40 N2 O2 -","- C120 H160 N8 O8 -","4","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp<sup>3</sup> C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","electron","0.0251","200keVelectrons","","0.2325","0.1648","","","0.3778","0.4084","","","","","","2.063","","","","has coordinates","286027","2023-09-05","19:04:39",""
"1569162","14.8971","0.0001","23.3372","0.0002","33.3618","0.0003","90","","92.469","0.001","90","","11587.7","0.16","100.01","0.1","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C58 H63 Br N4 O4 -","- C58 H63 Br N4 O4 -","- C464 H504 Br8 N32 O32 -","8","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp<sup>3</sup> C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","","1.54184","CuKα","","0.0541","0.0518","","","0.1375","0.1389","","","","","","1.068","","","","has coordinates,has disorder","286027","2023-09-05","19:04:39",""
"1569163","23.3077","0.0017","25.5036","0.0018","22.5731","0.0017","90","","106.17","0.003","90","","12887.3","1.6","133","2","133","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C60 H72 Co F20 N6 O4 -","- C60 H72 Co F20 N6 O4 -","- C480 H576 Co8 F160 N48 O32 -","8","2","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and <i>ab initio</i> ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1696","0.0866","","","0.1888","0.2317","","","","","","1.038","","","","has coordinates,has disorder","284910","2023-07-05","09:55:30",""
"1569164","14.5633","0.0007","15.7822","0.0008","16.1274","0.0008","71.806","0.004","82.645","0.004","68.825","0.004","3283.2","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H40 F20 N4 O4 P2 Zn -","- C76 H40 F20 N4 O4 P2 Zn -","- C152 H80 F40 N8 O8 P4 Zn2 -","2","1","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and <i>ab initio</i> ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1029","0.0718","","","0.1404","0.1592","","","","","","1.115","","","","has coordinates,has disorder","284910","2023-07-05","09:55:31",""
"1569165","15.8085","0.0007","16.057","0.0008","21.8265","0.0011","69.295","0.004","83.67","0.004","71.644","0.004","4918.8","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H40 Co F20 N4 O4 P2 -","- C76 H40 Co F20 N4 O4 P2 -","- C228 H120 Co3 F60 N12 O12 P6 -","3","1.5","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and <i>ab initio</i> ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1011","0.061","","","0.1956","0.2438","","","","","","1.063","","","","has coordinates,has disorder","284910","2023-07-05","09:55:31",""
"1569166","20.7015","0.0009","14.4358","0.0005","24.8704","0.0012","90","","108.502","0.004","90","","7048.2","0.5","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 Co F20 K2 N4 O18 -","- C60 H68 Co F20 K2 N4 O18 -","- C240 H272 Co4 F80 K8 N16 O72 -","4","0.5","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and <i>ab initio</i> ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.1214","0.0671","","","0.1897","0.2214","","","","","","1.08","","","","has coordinates","284910","2023-07-05","09:55:31",""
"1569167","20.7537","0.0006","14.4628","0.0003","24.8305","0.0007","90","","108.382","0.002","90","","7072.7","0.3","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 F20 K2 N4 O18 Zn -","- C60 H68 F20 K2 N4 O18 Zn -","- C240 H272 F80 K8 N16 O72 Zn4 -","4","0.5","","Gupta, Sandeep K.; Rao, Shashank V.; Demeshko, Serhiy; Dechert, Sebastian; Bill, Eckhard; Atanasov, Mihail; Neese, Frank; Meyer, Franc","Air-stable four-coordinate cobalt(ii) single-ion magnets: experimental and <i>ab initio</i> ligand field analyses of correlations between dihedral angles and magnetic anisotropy.","Chemical science","2023","14","23","6355","6374","10.1039/d3sc00813d","","","0.71073","MoKα","","0.0521","0.0448","","","0.1481","0.1616","","","","","","1.123","","","","has coordinates","284910","2023-07-05","09:55:31",""
"1569168","18.16775","0.00017","13.05007","0.00009","30.7237","0.0002","90","","102.709","0.0008","90","","7105.83","0.1","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H51 Al K N3 O1.5 Si2 -","- C29 H47 Al K N3 O Si2 -","- C232 H376 Al8 K8 N24 O8 Si16 -","8","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0399","0.0384","","","0.1108","0.1123","","","","","","1.027","","","","has coordinates","284906","2023-07-05","09:49:11",""
"1569169","12.313","0.0003","12.5109","0.0003","19.2634","0.0005","104.783","0.002","105.037","0.002","99.317","0.002","2687.05","0.13","120.1","0.2","120.1","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H83 Al K N5 O7 Si2 -","- C47 H83 Al K N5 O7 Si2 -","- C94 H166 Al2 K2 N10 O14 Si4 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0842","0.0814","","","0.1874","0.1889","","","","","","1.12","","","","has coordinates,has disorder","284906","2023-07-05","09:49:14",""
"1569170","12.7748","0.0006","14.6769","0.0007","19.1675","0.0008","84.046","0.004","88.135","0.004","65.381","0.005","3249.3","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101.61 Al K N5 O3 Si2 -","- C67 H101.612 Al K N5 O3 Si2 -","- C134 H203.224 Al2 K2 N10 O6 Si4 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0747","0.0578","","","0.1426","0.1534","","","","","","1.032","","","","has coordinates,has disorder","284906","2023-07-05","09:49:15",""
"1569171","22.07209","0.00013","19.9537","0.00013","24.4522","0.00016","90","","90","","90","","10769.2","0.12","125","7","125","7","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H86 Al K N4 O2 Si2 -","- C54 H86 Al K N4 O2 Si2 -","- C432 H688 Al8 K8 N32 O16 Si16 -","8","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0365","0.0346","","","0.0929","0.095","","","","","","1.033","","","","has coordinates","284906","2023-07-05","09:49:15",""
"1569172","11.59172","0.00014","22.52352","0.00017","24.5925","0.0002","90","","96.0048","0.0009","90","","6385.54","0.11","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H93 Al K N5 O3 Si2 -","- C63 H93 Al K N5 O3 Si2 -","- C252 H372 Al4 K4 N20 O12 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0401","0.0349","","","0.0885","0.0924","","","","","","1.003","","","","has coordinates","284906","2023-07-05","09:49:15",""
"1569173","36.4496","0.0007","12.44536","0.00009","20.2703","0.0004","90","","136.513","0.003","90","","6328","0.4","150","0.1","150","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C68 H99 Al K N5 O Si2 -","- C68 H99 Al K N5 O Si2 -","- C272 H396 Al4 K4 N20 O4 Si8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0248","0.0239","","","0.0599","0.0606","","","","","","1.011","","","","has coordinates","284906","2023-07-05","09:49:15",""
"1569174","11.0552","0.0003","11.8345","0.0003","23.9671","0.0007","82.31","0.002","76.873","0.002","80.547","0.002","2997.03","0.14","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C131 H170 Al2 K2 N10 O2 Si4 -","- C131 H170 Al2 K2 N10 O2 Si4 -","- C131 H170 Al2 K2 N10 O2 Si4 -","1","0.5","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.1016","0.0903","","","0.2267","0.2336","","","","","","1.101","","","","has coordinates,has disorder","284906","2023-07-05","09:49:15",""
"1569179","11.0183","0.0008","14.4087","0.001","17.3579","0.0009","65.994","0.006","87.485","0.005","71.975","0.006","2383.1","0.3","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H49 N3 S -","- C54 H49 N3 S -","- C108 H98 N6 S2 -","2","1","","Tabata, Naoki; Uchino, Takumi; Kitamura, Chitoshi; Yoshizawa, Kazunari; Shiota, Yoshihito; Kato, Shin-Ichiro","Site-selective radical reactions of kinetically stable open-shell singlet diradicaloid difluorenoheteroles with tributyltin hydride and azo-based radical initiators.","Chemical science","2023","14","22","5974","5982","10.1039/d3sc00381g","","x-ray","0.71073","MoKα","","0.1642","0.0884","","","0.2055","0.2488","","","","","","0.975","","","","has coordinates,has disorder","284889","2023-07-05","09:38:59",""
"1569180","18.046","0.0017","9.8055","0.001","24.994","0.003","90","","110.269","0.004","90","","4148.8","0.8","150","2","150","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- C112 H67 N24 O32 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","- C111.5 H67 N24 O30 Zn10 -","1","0.5","","Liu, Jiaqi; Wang, Hao; Li, Jing","Pillar-layer Zn-triazolate-dicarboxylate frameworks with a customized pore structure for efficient ethylene purification from ethylene/ethane/acetylene ternary mixtures.","Chemical science","2023","14","22","5912","5917","10.1039/d3sc01134h","","","1.34139","GaKα","","0.0618","0.0587","","","0.1826","0.1847","","","","","","1.083","","","","has coordinates,has disorder","284897","2023-07-05","09:43:44",""
"1569181","8.553","0.002","11.731","0.003","15.988","0.006","94.57","0.02","104.856","0.01","96.38","0.013","1531.1","0.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H80 O4 -","- C84 H80 O4 -","- C84 H80 O4 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","","1.54178","CuKα","","0.0748","0.0501","","","0.1345","0.1509","","","","","","1.048","","","","has coordinates,has disorder","284894","2023-07-05","09:42:35",""
"1569182","10.2129","0.0003","14.2075","0.0004","16.4062","0.0004","64.469","0.002","74.622","0.002","69.798","0.002","1996.82","0.1","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C100 H84 Cl6 O6 -","- C100 H84 Cl6 O6 -","- C100 H84 Cl6 O6 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","","1.54178","CuKα","","0.1188","0.0742","","","0.2098","0.2472","","","","","","1.026","","","","has coordinates","284894","2023-07-05","09:42:36",""
"1569183","9.5464","0.0008","11.1446","0.0007","19.3904","0.0008","87.388","0.004","88.255","0.006","79.15","0.007","2023.5","0.2","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C100 H86 Cl6 O4 -","- C98 H84 O4 -","- C98 H84 O4 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","x-ray","1.54184","CuKα","","0.1176","0.081","","","0.2385","0.2818","","","","","","0.948","","","","has coordinates","284894","2023-07-05","09:42:36",""
"1569184","8.6954","0.0002","15.609","0.0003","17.0505","0.0004","103.955","0.001","92.887","0.001","99.039","0.001","2208.59","0.09","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C119 H116 O4 -","- C119 H116 O4 -","- C119 H116 O4 -","1","0.5","","Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng","From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid.","Chemical science","2023","14","22","6087","6094","10.1039/d3sc01295f","","","1.54178","CuKα","","0.063","0.0456","","","0.1159","0.1264","","","","","","1.046","","","","has coordinates,has disorder","284894","2023-07-05","09:42:36",""
"1569185","7.349","0.002","11.275","0.003","17.533","0.004","90","","90","","90","","1452.8","0.6","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C72 H64 O8 S4 -","4","1","","Liang, Ren-Xiao; Tang, Heng-Wei; Liu, Jia-Liang; Xu, Jian-Feng; Chen, Ling-Jia; Jia, Yi-Xia","Cobalt-catalyzed enantioselective desymmetrizing reductive cyclization of alkynyl cyclodiketones.","Chemical science","2023","14","23","6393","6398","10.1039/d3sc00119a","","","0.71073","MoKα","","0.0285","0.028","","","0.074","0.0748","","","","","","1.086","","","","has coordinates,has disorder","284909","2023-07-05","09:55:10",""
"1569188","4.8187","0.0004","15.7239","0.0018","22.4752","0.0016","90","","91.507","0.005","90","","1702.3","0.3","273","","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F N3 O2 -","- C22 H16 F N3 O2 -","- C88 H64 F4 N12 O8 -","4","1","","Tacke, Eléonore; Hoang, Minh-Duc; Tatoueix, Kevin; Keromnes, Benoît; Van Eslande, Elsa; Durand, Philippe; Pieters, Gregory; Chevalier, Arnaud","Unprecedented perspectives on the application of CinNapht fluorophores provided by a ""late-stage"" functionalization strategy.","Chemical science","2023","14","22","6000","6010","10.1039/d3sc01365k","","x-ray","1.54187","CuKα","","0.2014","0.0934","","","0.2397","0.3593","","","","","","0.933","","","","has coordinates","284888","2023-07-05","09:38:28",""
"1569190","11.8624","0.0004","4.0641","0.0002","26.0523","0.0009","90","","94.013","0.003","90","","1252.9","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O6 -","- C32 H28 N2 O6 -","- C64 H56 N4 O12 -","2","0.5","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","","1.54178","CuKα","","0.0517","0.0445","","","0.1207","0.1263","","","","","","1.093","","","","has coordinates","284908","2023-07-05","09:55:01",""
"1569191","11.9476","0.0002","5.8409","0.0001","15.0139","0.0003","90","","95.536","0.002","90","","1042.85","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C56 H40 N4 O4 -","2","0.5","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","","1.54178","CuKα","","0.0432","0.0395","","","0.1022","0.1054","","","","","","1.049","","","","has coordinates","284908","2023-07-05","09:55:02",""
"1569192","22.5871","0.0009","6.0324","0.0002","25.2819","0.001","90","","114.529","0.005","90","","3133.9","0.2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N6 O2 -","- C36 H40 N6 O2 -","- C144 H160 N24 O8 -","4","0.5","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","","1.54178","CuKα","","0.0556","0.0461","","","0.1219","0.1279","","","","","","1.054","","","","has coordinates","284908","2023-07-05","09:55:02",""
"1569193","8.5815","0.0002","23.7567","0.0005","38.1133","0.0012","90","","90","","90","","7770.1","0.3","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C299 H342 Cl22 N48 O16 -","- C299 H342 Cl22 N48 O16 -","- C299 H342 Cl22 N48 O16 -","1","0.125","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","x-ray","1.54184","CuKα","","0.1221","0.0915","","","0.239","0.2588","","","","","","1.13","","","","has coordinates,has disorder","284908","2023-07-05","09:55:02",""
"1569194","5.665","0.0001","11.8408","0.0002","12.1314","0.0002","107.953","0.001","101.48","0.001","92.508","0.001","753.81","0.02","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","1-(3,5-dimethoxybenzyl)-4-phenyl-1H-1,2,3-triazole","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C34 H34 N6 O4 -","2","1","","Lennox, Cameron B.; Borchers, Tristan H.; Gonnet, Lori; Barrett, Christopher J.; Koenig, Stefan G.; Nagapudi, Karthik; Friščić, Tomislav","Direct mechanocatalysis by resonant acoustic mixing (RAM).","Chemical science","2023","14","27","7475","7481","10.1039/d3sc01591b","","","1.54178","CuKα","","0.0675","0.0504","","","0.1332","0.1604","","","","","","0.963","","","","has coordinates","286034","2023-09-05","19:07:05",""
"1569197","9.26014","0.00012","11.7541","0.0002","21.9162","0.0003","90","","90","","90","","2385.46","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N3 O2 S -","- C24 H31 N3 O2 S -","- C96 H124 N12 O8 S4 -","4","1","","Wang, Rui; Wang, Chuan","Asymmetric imino-acylation of alkenes enabled by HAT-photo/nickel cocatalysis.","Chemical science","2023","14","23","6449","6456","10.1039/d3sc01945d","","x-ray","1.54184","CuKα","","0.043","0.0408","","","0.1181","0.1214","","","","","","1.021","","","","has coordinates","284903","2023-07-05","09:47:26",""
"1569198","5.47055","0.00006","23.5365","0.0003","14.44919","0.00014","90","","94.2334","0.001","90","","1855.37","0.04","150","2","150.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H15 F6 N O4 S -","- C17 H15 F6 N O4 S -","- C68 H60 F24 N4 O16 S4 -","4","2","","Clark, Ella F.; Kociok-Köhn, Gabriele; Davidson, Matthew G.; Buchard, Antoine","Polymers from sugars and isothiocyanates: ring-opening copolymerization of a d-xylose anhydrosugar oxetane","Polymer Chemistry","2023","14","23","2838","2847","10.1039/D3PY00443K","","x-ray","1.54184","CuKα","","0.0343","0.0318","","","0.0795","0.0809","","","","","","1.011","","","","has coordinates","284980","2023-07-05","11:04:29",""
"1569199","10.612","0.0007","13.2639","0.0008","13.3533","0.0008","90","","104.195","0.002","90","","1822.2","0.2","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C22 H19 Br O3 -","- C22 H19 Br O3 -","- C88 H76 Br4 O12 -","4","2","","Guin, Avishek; Bhattacharjee, Subrata; Harariya, Mahesh Singh; Biju, Akkattu T.","Lewis acid-catalyzed diastereoselective carbofunctionalization of bicyclobutanes employing naphthols.","Chemical science","2023","14","24","6585","6591","10.1039/d3sc01373a","","","0.71073","MoKα","","0.041","0.0318","","","0.0663","0.0688","","","","","","1.019","","","","has coordinates","284887","2023-07-05","09:38:08",""
"1569200","9.3235","0.0017","9.838","0.002","17.181","0.004","90","","90","","90","","1575.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Br O3 -","- C17 H19 Br O3 -","- C68 H76 Br4 O12 -","4","1","","Duran, Jordi; Mateos, Javier; Moyano, Albert; Companyó, Xavier","Catalytic asymmetric defluorinative allylation of silyl enol ethers.","Chemical science","2023","14","26","7147","7153","10.1039/d3sc01498c","","","0.71073","MoKα","","0.0348","0.0253","","","0.049","0.0524","","","","","","1.024","","","","has coordinates","286053","2023-09-05","19:13:30",""
"1569201","10.2482","0.0003","23.7215","0.0005","11.0876","0.0003","90","","115.082","0.003","90","","2441.25","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Dyn[4]arene","","","- C32 H38 O30 S8 -","- C32 H38 O30 S8 -","- C64 H76 O60 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","1.54184","CuKα","","0.0591","0.0578","","","0.166","0.1695","","","","","","1.143","","","","has coordinates,has disorder","286055","2023-09-05","19:15:39",""
"1569202","10.7495","0.0018","11.9064","0.0017","19.424","0.003","90","","98.589","0.014","90","","2458.2","0.7","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","dyn[4]arene","","","- C37 H32.5 N2 O17.75 S8 -","- C37 H32.5 N2 O17.75 S8 -","- C74 H65 N4 O35.5 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","1.54184","CuKα","","0.1547","0.0917","","","0.2248","0.2683","","","","","","1.02","","","","has coordinates","286055","2023-09-05","19:15:40",""
"1569203","10.644","0.002","11.901","0.002","22.63","0.005","101.4","0.03","90.57","0.03","99.4","0.03","2769.7","1","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","dyn[4]arene","","","- C36 H22 Co N2 O28 S8 -","- C36 H22 Co N2 O28 S8 -","- C72 H44 Co2 N4 O56 S16 -","2","1","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","0.82655","Synchrotron","","0.1389","0.1353","","","0.4438","0.4583","","","","","","2.503","","","","has coordinates,has disorder","286055","2023-09-05","19:15:40",""
"1569204","49.4947","0.0007","49.4947","0.0007","35.6973","0.0005","90","","90","","120","","75732.7","1.8","100","2","100","","","","","","","","","4","P 6 2 2","P 6 2","177","","","","- C192 H96 O64 S16 -","- C192 H96 O64 S16 -","- C1152 H576 O384 S96 -","6","0.5","","Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien","Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions.","Chemical science","2023","14","26","7126","7135","10.1039/d3sc01235b","","","0.97625","Synchrotron","","0.1871","0.1083","","","0.274","0.3616","","","","","","0.918","","","","has coordinates","286055","2023-09-05","19:15:40",""
"1569205","7.9192","0.0003","9.0455","0.0003","17.8728","0.0006","90","","92.107","0.003","90","","1279.42","0.08","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N6 O10 Zn2 -","- C24 H26 N6 O10 Zn2 -","- C48 H52 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0361","0.031","","","0.083","0.0852","","","","","","1.065","","","","has coordinates","284884","2023-07-05","09:35:44",""
"1569206","9.0073","0.00005","13.58036","0.00007","19.66015","0.0001","90","","99.5336","0.0005","90","","2371.66","0.02","300.51","0.1","300.51","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N6 O8 Zn2 -","- C22 H22 N6 O8 Zn2 -","- C88 H88 N24 O32 Zn8 -","4","1","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0274","0.0261","","","0.0714","0.0719","","","","","","1.047","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569207","8.3971","0.0001","15.8016","0.0001","10.0739","0.0001","90","","112.858","0.001","90","","1231.71","0.02","276","3","276","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N6 O10 Zn2 -","- C22 H22 N6 O10 Zn2 -","- C44 H44 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0242","0.0233","","","0.0633","0.0635","","","","","","1.054","","","","has coordinates","284884","2023-07-05","09:35:44",""
"1569208","7.9761","0.0001","8.7999","0.0001","10.5943","0.0002","98.605","0.001","97.133","0.001","98.842","0.001","718.204","0.019","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N8 O14 Zn2 -","- C24 H28 N8 O14 Zn2 -","- C24 H28 N8 O14 Zn2 -","1","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0225","0.0218","","","0.0547","0.0552","","","","","","1.055","","","","has coordinates","284884","2023-07-05","09:35:44",""
"1569209","8.5081","0.0001","17.0816","0.0001","9.7088","0.0001","90","","104.246","0.001","90","","1367.61","0.02","271.26","0.13","271.26","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H23.84 Br2 N4 O10 Zn2 -","- C22 H24 Br2 N6 O10 Zn2 -","- C44 H48 Br4 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0298","0.0289","","","0.0795","0.0822","","","","","","1.08","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569210","8.37106","0.00007","17.24574","0.00011","9.47691","0.00008","90","","105.366","0.0008","90","","1319.23","0.018","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl2 N6 O10 Zn2 -","- C22 H24 Cl2 N6 O10 Zn2 -","- C44 H48 Cl4 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0229","0.0222","","","0.0546","0.0551","","","","","","1.058","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569211","8.1441","0.0001","17.9862","0.0002","9.4493","0.0001","90","","109.211","0.001","90","","1307.07","0.03","272.1","0.8","272.1","0.8","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F2 N6 O10 Zn2 -","- C22 H24 F2 N6 O10 Zn2 -","- C44 H48 F4 N12 O20 Zn4 -","2","0.5","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.031","0.0302","","","0.0725","0.0731","","","","","","1.085","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569212","19.9701","0.0003","17.0535","0.0003","8.023","0.0002","90","","97.808","0.002","90","","2706.98","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N6 O9 Zn2 -","- C25 H28 N6 O9 Zn2 -","- C100 H112 N24 O36 Zn8 -","4","1","","Zhang, Shengbo; Xue, Yingying; Wu, Yanfen; Zhang, Yu-Xiao; Tan, Ting; Niu, Zhiqiang","PET recycling under mild conditions <i>via</i> substituent-modulated intramolecular hydrolysis.","Chemical science","2023","14","24","6558","6563","10.1039/d3sc01161e","","x-ray","1.54184","CuKα","","0.0512","0.0445","","","0.119","0.1253","","","","","","1.043","","","","has coordinates,has disorder","284884","2023-07-05","09:35:44",""
"1569213","13.8755","0.0013","7.1896","0.0005","14.6846","0.0013","90","","93.679","0.003","90","","1461.9","0.2","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C68 H56 O16 S4 -","4","1","","Wang, Yulong; Shen, Shenyu; He, Chonglong; Zhou, Youkang; Zhang, Keyuan; Rao, Bin; Han, Tian; Su, Yaqiong; Duan, Xin-Hua; Liu, Le","Cu(ii)-mediated direct intramolecular cyclopropanation of distal olefinic acetate: access to cyclopropane-fused γ-lactones.","Chemical science","2023","14","24","6663","6668","10.1039/d3sc01752d","","","0.71073","MoKα","","0.0606","0.0403","","","0.0931","0.105","","","","","","1.015","","","","has coordinates","284881","2023-07-05","09:33:43",""
"1569214","7.9842","0.0004","21.6573","0.0012","21.6791","0.0011","90","","90","","90","","3748.7","0.3","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cycloheptanone","3-phenyl-3-(2,4,6-trimethoxyphenyl)cycloheptan-1-one","","- C22 H26 O4 -","- C22 H26 O4 -","- C176 H208 O32 -","8","1","","Singha, Tushar; Kadam, Ganesh Arjun; Hari, Durga Prasad","Photocatalyzed Dowd-Beckwith radical-polar crossover reaction for the synthesis of medium-sized carbocyclic compounds.","Chemical science","2023","14","25","6930","6935","10.1039/d3sc01908j","","","0.71073","MoKα","","0.0734","0.0688","","","0.1436","0.1459","","","","","","1.289","","","","has coordinates","284899","2023-07-05","09:44:56",""
"1569215","8.0064","0.0007","24.8727","0.0017","10.4677","0.0008","90","","110.575","0.003","90","","1951.6","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5a,5b-diphenyldodecahydrocyclobuta[1,2:3,4]di[7]annulene-1,10-dione","","- C26 H28 O2 -","- C26 H28 O2 -","- C104 H112 O8 -","4","1","","Singha, Tushar; Kadam, Ganesh Arjun; Hari, Durga Prasad","Photocatalyzed Dowd-Beckwith radical-polar crossover reaction for the synthesis of medium-sized carbocyclic compounds.","Chemical science","2023","14","25","6930","6935","10.1039/d3sc01908j","","","0.71073","MoKα","","0.0785","0.0678","","","0.1488","0.1542","","","","","","1.178","","","","has coordinates","284899","2023-07-05","09:44:56",""
"1569218","8.8993","0.0006","18.8352","0.0012","20.4134","0.0016","90","","102.59","","90","","3339.4","0.4","60","2","60","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H0.25 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.097","0.071","","","0.1995","0.2202","","","","","","1.04","","","","has coordinates","284902","2023-07-05","09:46:53",""
"1569219","8.9674","0.0011","19.1331","0.0019","20.71","0.002","90","","102.5","","90","","3469.1","0.6","270","2","270","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0965","0.061","","","0.1596","0.1829","","","","","","1.051","","","","has coordinates","284902","2023-07-05","09:46:54",""
"1569220","8.9631","0.0004","18.8914","0.001","20.4693","0.001","90","","102.65","","90","","3381.8","0.3","120","2","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0798","0.063","","","0.1762","0.1896","","","","","","1.058","","","","has coordinates","284902","2023-07-05","09:46:54",""
"1569221","8.8187","0.0005","19.2165","0.0011","20.7495","0.001","90","","101.652","0.002","90","","3443.8","0.3","30","2","30","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0597","0.057","","","0.139","0.1411","","","","","","1.06","","","","has coordinates,has disorder","284902","2023-07-05","09:46:54",""
"1569222","8.929","0.002","18.861","0.004","20.414","0.005","90","","102.505","0.007","90","","3356.4","1.3","30","2","30","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0719","0.0686","","","0.1801","0.1832","","","","","","1.03","","","","has coordinates","284902","2023-07-05","09:46:54",""
"1569223","9.06","0.006","18.758","0.012","20.224","0.011","90","","102.25","0.02","90","","3359","4","30","2","30","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Ag2 Fe N7 O2 -","- C36 H21 Ag2 Fe N7 O2 -","- C144 H84 Ag8 Fe4 N28 O8 -","4","0.5","","Yan, Fei-Fei; Jiang, Wen-Jing; Yao, Nian-Tao; Mao, Pan-Dong; Zhao, Liang; Sun, Hui-Ying; Meng, Yin-Shan; Liu, Tao","Manipulating fluorescence by photo-switched spin-state conversions in an iron(ii)-based SCO-MOF.","Chemical science","2023","14","25","6936","6942","10.1039/d3sc01217d","","","0.71073","MoKα","","0.0931","0.0666","","","0.1687","0.1935","","","","","","1.063","","","","has coordinates","284902","2023-07-05","09:46:54",""
"1569224","9.8832","0.0012","10.4913","0.0012","16.8579","0.0014","75.651","0.009","87.092","0.008","71.514","0.01","1605.3","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H41 Br2 F5 N2 Pd -","- C27 H41 Br2 F5 N2 Pd -","- C54 H82 Br4 F10 N4 Pd2 -","2","1","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","1.54184","CuKα","","0.0833","0.0626","","","0.1674","0.2009","","","","","","1.024","","","","has coordinates","284882","2023-07-05","09:34:01",""
"1569225","10.093","0.0007","11.7688","0.0008","14.7684","0.0009","107.49","0.006","107.025","0.006","100.307","0.006","1529.8","0.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 F5 N2 O2 Pd -","- C14 H11 F5 N2 O2 Pd -","- C56 H44 F20 N8 O8 Pd4 -","4","2","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","0.71073","MoKα","","0.0718","0.0434","","","0.0829","0.1029","","","","","","1.039","","","","has coordinates","284882","2023-07-05","09:34:02",""
"1569226","10.3513","0.0004","9.1559","0.0003","28.7456","0.0008","90","","90","","90","","2724.38","0.16","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H9 F5 N2 O2 Pd -","- C11 H9 F5 N2 O2 Pd -","- C88 H72 F40 N16 O16 Pd8 -","8","1","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","","0.71073","MoKα","","0.0694","0.0384","","","0.0716","0.0869","","","","","","1.079","","","","has coordinates","284882","2023-07-05","09:34:02",""
"1569227","18.3972","0.0005","12.8302","0.0004","19.2798","0.0005","90","","92.492","0.002","90","","4546.5","0.2","298","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H82 N4 O6 Pd -","- C40 H82 N4 O6 Pd -","- C160 H328 N16 O24 Pd4 -","4","0.5","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","0.71073","MoKα","","0.0561","0.044","","","0.1167","0.1284","","","","","","1.056","","","","has coordinates,has disorder","284882","2023-07-05","09:34:02",""
"1569228","9.8649","0.0003","34.9214","0.0014","13.1305","0.0005","90","","109.505","0.004","90","","4263.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25.14 H11.43 F11.43 N2.29 Pd1.14 -","- C25.1429 H11.4286 F11.4286 N2.28571 Pd1.14286 -","- C176 H80 F80 N16 Pd8 -","7","1.75","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","x-ray","0.71073","MoKα","","0.0689","0.0394","","","0.0778","0.0971","","","","","","1.027","","","","has coordinates","284882","2023-07-05","09:34:02",""
"1569232","15.9812","0.0002","16.2986","0.0001","18.9525","0.0002","90","","111.355","0.001","90","","4597.64","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H68 Fe N3 O P -","- C52 H68 Fe N3 O P -","- C208 H272 Fe4 N12 O4 P4 -","4","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","1.54184","CuKα","","0.0392","0.0352","","","0.0927","0.0953","","","","","","1.085","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569233","9.805","0.0001","14.5687","0.0002","17.0188","0.0002","104.34","0.001","91.146","0.001","109.034","0.001","2213.03","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H58 Cl2 Fe N3 P Se -","- C48 H58 Cl2 Fe N3 P Se -","- C96 H116 Cl4 Fe2 N6 P2 Se2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0473","0.0361","","","0.0804","0.0838","","","","","","1.073","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47",""
"1569234","10.26323","0.00012","24.3533","0.0002","16.73625","0.00017","90","","97.7035","0.0011","90","","4145.36","0.07","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H68 Fe N3 P Te -","- C41 H68 Fe N3 P Te -","- C164 H272 Fe4 N12 P4 Te4 -","4","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0617","0.048","","","0.1401","0.1501","","","","","","1.078","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569235","10.5924","0.0002","20.9429","0.0003","15.9207","0.0003","90","","104.292","0.002","90","","3422.47","0.11","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C69 H100 Fe2 K2 N6 O Te -","- C69 H100 Fe2 K2 N6 O Te -","- C138 H200 Fe4 K4 N12 O2 Te2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","","0.71073","MoKα","","0.0275","0.0253","","","0.0567","0.0574","","","","","","1.048","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569236","9.8215","0.0001","24.9832","0.0003","19.1363","0.0003","90","","101.22","0.001","90","","4605.78","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H64 Fe N3 P S -","- C54 H64 Fe N3 P S -","- C216 H256 Fe4 N12 P4 S4 -","4","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0656","0.0553","","","0.1529","0.159","","","","","","1.028","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47",""
"1569237","23.3804","0.0002","13.8531","0.0001","23.0007","0.0001","90","","98.825","0.001","90","","7361.53","0.09","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H108 Fe2 K2 N6 O -","- C78 H108 Fe2 K2 N6 O -","- C312 H432 Fe8 K8 N24 O4 -","4","0.5","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0415","0.0377","","","0.1044","0.1067","","","","","","1.037","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47",""
"1569238","14.1307","0.0001","15.1864","0.0001","16.7593","0.0001","104.573","0.001","102.792","0.001","92.504","0.001","3375.48","0.05","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H102 Fe2 K2 N6 O2 Se -","- C66 H102 Fe2 K2 N6 O2 Se -","- C132 H204 Fe4 K4 N12 O4 Se2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0406","0.0314","","","0.0714","0.0743","","","","","","1.039","","","","has coordinates,has disorder","284886","2023-07-05","09:37:47",""
"1569239","14.1136","0.0001","15.1869","0.0001","16.7298","0.0001","104.896","0.001","102.806","0.001","92.236","0.001","3361.61","0.04","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H102 Fe2 K2 N6 O2 S -","- C66 H102 Fe2 K2 N6 O2 S -","- C132 H204 Fe4 K4 N12 O4 S2 -","2","1","","Zars, Ethan; Gravogl, Lisa; Gau, Michael R.; Carroll, Patrick J.; Meyer, Karsten; Mindiola, Daniel J.","Isostructural bridging diferrous chalcogenide cores [Fe<sup>II</sup>(μ-E)Fe<sup>II</sup>] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series.","Chemical science","2023","14","24","6770","6779","10.1039/d3sc01094e","","x-ray","0.71073","MoKα","","0.0372","0.0318","","","0.0772","0.0798","","","","","","1.054","","","","has coordinates","284886","2023-07-05","09:37:47",""
"1569240","28.1786","0.0002","31.8205","0.0004","36.1804","0.0005","90","","91.8449","0.001","90","","32424.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H120 As8 Au13 Cl4 -","- C144 H120 As8 Au13 Cl4 -","- C1152 H960 As64 Au104 Cl32 -","8","2","","Yu, Jiu-Hong; Yuan, Zhi-Rui; Xu, Jing; Wang, Jin-Gui; Azam, Mohammad; Li, Tian-Duo; Li, Ying-Zhou; Sun, Di","Monoarsine-protected icosahedral cluster [Au<sub>13</sub>(AsPh<sub>3</sub>)<sub>8</sub>Cl<sub>4</sub>]<sup>+</sup>: comparative studies on ligand effect and surface reactivity with its stibine analogue.","Chemical science","2023","14","24","6564","6571","10.1039/d3sc01311a","","","1.54184","CuKα","","0.1543","0.1337","","","0.3421","0.3562","","","","","","1.077","","","","has coordinates","284885","2023-07-05","09:36:35",""
"1569241","13.2861","0.0004","13.9323","0.0004","14.0077","0.0004","83.702","0.002","75.517","0.003","86.706","0.002","2494.14","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 As3 Au Cl -","- C54 H45 As3 Au Cl -","- C108 H90 As6 Au2 Cl2 -","2","1","","Yu, Jiu-Hong; Yuan, Zhi-Rui; Xu, Jing; Wang, Jin-Gui; Azam, Mohammad; Li, Tian-Duo; Li, Ying-Zhou; Sun, Di","Monoarsine-protected icosahedral cluster [Au<sub>13</sub>(AsPh<sub>3</sub>)<sub>8</sub>Cl<sub>4</sub>]<sup>+</sup>: comparative studies on ligand effect and surface reactivity with its stibine analogue.","Chemical science","2023","14","24","6564","6571","10.1039/d3sc01311a","","","1.54184","CuKα","","0.0288","0.0267","","","0.065","0.066","","","","","","1.055","","","","has coordinates","284885","2023-07-05","09:36:44",""
"1569242","5.7781","0.0002","10.145","0.0004","14.0978","0.0004","90","","90","","90","","826.4","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Chang, Kai-Hsin; Peng, Yu-Chiang; Su, Kuan-Hsuan; Lin, Yi-Hsien; Liu, Jiun-Chi; Liu, Ying-Hsuan; Hsu, Chao-Hsien; Yang, Hsiao-Ching; Chou, Pi-Tai","Long-range hydrogen-bond relay catalyses the excited-state proton transfer reaction.","Chemical science","2023","14","26","7237","7247","10.1039/d3sc01441j","","","0.71073","MoKα","","0.0434","0.0393","","","0.1069","0.1111","","","","","","1.07","","","","has coordinates","286058","2023-09-05","19:17:20",""
"1569243","14.2369","0.0003","9.021","0.0002","16.3159","0.0005","90","","109.044","0.003","90","","1980.78","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14.75 H23.55 Fe N0.95 P5 -","- C14.75 H23.55 Fe N0.95 P5 -","- C59 H94.2 Fe4 N3.8 P20 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(<i>η</i><sup>5</sup>-P<sub>5</sub>)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0385","0.0328","","","0.0851","0.0883","","","","","","1.051","","","","has coordinates,has disorder","286051","2023-09-05","19:13:04",""
"1569244","11.2089","0.0005","11.4407","0.0004","18.1308","0.0008","90","","105.764","0.004","90","","2237.6","0.17","123","1","123","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C17 H30 Br Fe P5 -","- C17 H29.5 Br Fe P5 -","- C68 H118 Br4 Fe4 P20 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(<i>η</i><sup>5</sup>-P<sub>5</sub>)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0483","0.0349","","","0.0752","0.0807","","","","","","1.064","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05",""
"1569245","8.8375","0.0004","14.5973","0.0007","16.2499","0.0008","63.684","0.005","89.773","0.004","81.732","0.004","1855.28","0.18","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 Fe2 P10 -","- C28 H48 Fe2 P10 -","- C56 H96 Fe4 P20 -","2","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(<i>η</i><sup>5</sup>-P<sub>5</sub>)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","","1.54184","CuKα","","0.0434","0.0356","","","0.087","0.0919","","","","","","1.03","","","","has coordinates","286051","2023-09-05","19:13:05",""
"1569246","11.7026","0.0006","14.3826","0.0005","18.9471","0.0007","85.336","0.003","85.053","0.004","88.352","0.004","3165.9","0.2","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H40 Fe P6 -","- C29 H40 Fe P6 -","- C116 H160 Fe4 P24 -","4","2","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(<i>η</i><sup>5</sup>-P<sub>5</sub>)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","","1.54184","CuKα","","0.0737","0.0626","","","0.1432","0.1471","","","","","","1.068","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05",""
"1569247","15.5101","0.0003","12.8109","0.0002","24.2981","0.0003","90","","101.449","0.001","90","","4731.92","0.13","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H76 Cl Fe2 P10 -","- C31 H54 Fe2 P10 -","- C124 H216 Fe8 P40 -","4","1","","Reichl, Stephan; Riedlberger, Felix; Piesch, Martin; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Controlled introduction of functional groups at one P atom in [Cp*Fe(<i>η</i><sup>5</sup>-P<sub>5</sub>)] and release of functionalised phosphines.","Chemical science","2023","14","26","7285","7290","10.1039/d3sc01488f","","x-ray","0.71073","MoKα","","0.0687","0.0458","","","0.1141","0.1252","","","","","","1.026","","","","has coordinates,has disorder","286051","2023-09-05","19:13:05",""
"1569257","16.9776","0.0017","14.3793","0.0004","26.623","0.003","90","","143.57","0.02","90","","3859.6","1.9","159.99","0.1","159.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H20 Bi4 O16.3 -","- C36 H20 Bi4 O16.2938 -","- C144 H80 Bi16 O65.1752 -","4","1","","Gao, Zengqiang; Hou, Man; Shi, Yongxia; Li, Li; Sun, Qisheng; Yang, Shuyuan; Jiang, Zhiqiang; Yang, Wenjuan; Zhang, Zhicheng; Hu, Wenping","A conductive catecholate-based framework coordinated with unsaturated bismuth boosts CO<sub>2</sub> electroreduction to formate.","Chemical science","2023","14","25","6860","6866","10.1039/d3sc01876h","","x-ray","1.54184","CuKα","","0.0664","0.0612","","","0.1756","0.1804","","","","","","1.025","","","","has coordinates,has disorder","284898","2023-07-05","09:44:38",""
"1569262","12.0079","0.0009","12.4717","0.001","12.8977","0.0005","80.54","0.005","69.855","0.005","69.795","0.007","1699.5","0.2","300","0.2","300","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0579","0.0544","","","0.1592","0.1612","","","","","","1.064","","","","has coordinates","286056","2023-09-05","19:16:53",""
"1569263","12.7594","0.0001","13.8795","0.0002","20.0074","0.0003","91.925","0.001","107.483","0.001","99.844","0.001","3316.13","0.08","150","0.5","150","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0603","0.0579","","","0.1419","0.1447","","","","","","1.035","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569264","11.96519","0.00017","12.45379","0.00018","12.83894","0.00017","80.742","0.0011","69.6815","0.0013","69.7944","0.0013","1681.88","0.04","240","0.1","240","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0482","0.0428","","","0.1171","0.1207","","","","","","1.1","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569265","12.75426","0.00007","13.88144","0.00008","20.01371","0.00009","92.0011","0.0004","107.527","0.0005","99.7927","0.0005","3315.63","0.03","149.7","0.6","149.7","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0396","0.0368","","","0.1008","0.1026","","","","","","1.039","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569266","12.73249","0.00018","13.82045","0.00016","20","0.0002","91.9059","0.0009","107.561","0.0012","99.86","0.0011","3292.26","0.07","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0715","0.0675","","","0.1757","0.1815","","","","","","1.013","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569267","11.929","0.0005","12.4586","0.0004","12.8272","0.0005","80.346","0.003","69.77","0.003","69.483","0.003","1672.95","0.12","240","0.5","240","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0757","0.0712","","","0.2064","0.2108","","","","","","1.105","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569268","12.0082","0.0003","12.4839","0.0003","12.9087","0.0002","80.4846","0.0018","69.833","0.0019","69.77","0.002","1702.1","0.07","300","0.5","300","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C32 H20 Fe I2 N4 O2 -","- C64 H40 Fe2 I4 N8 O4 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","1.54184","CuKα","","0.0706","0.0601","","","0.1673","0.1902","","","","","","1.098","","","","has coordinates","286056","2023-09-05","19:16:54",""
"1569269","11.9612","0.0005","12.2958","0.0004","12.6524","0.0004","82.206","0.003","69.547","0.003","69.329","0.003","1631.11","0.11","10","","10","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","0.71073","MoKα","","0.0617","0.0401","","","0.0772","0.0856","","","","","","1.03","","","","has coordinates,has disorder","286056","2023-09-05","19:16:54",""
"1569270","12.7132","0.0002","13.7693","0.0002","19.9776","0.0003","91.945","0.001","107.644","0.001","100.019","0.001","3267.76","0.09","10","","10","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C136 H112 Fe4 I8 N20 O28 -","4","2","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","0.71073","MoKα","","0.0355","0.0295","","","0.0701","0.0728","","","","","","1.047","","","","has coordinates,has disorder","286056","2023-09-05","19:16:54",""
"1569271","11.8742","0.0004","12.3742","0.0003","12.7752","0.0003","80.502","0.002","69.212","0.003","68.99","0.003","1636.7","0.09","10","","10","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Fe I2 N5 O7 -","- C34 H28 Fe I2 N5 O7 -","- C68 H56 Fe2 I4 N10 O14 -","2","1","","Díaz-Torres, Raúl; Chastanet, Guillaume; Collet, Eric; Trzop, Elzbieta; Harding, Phimphaka; Harding, David J.","Bidirectional photoswitchability in an iron(iii) spin crossover complex: symmetry-breaking and solvent effects.","Chemical science","2023","14","26","7185","7191","10.1039/d3sc01495a","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0623","0.067","","","","","","1.043","","","","has coordinates,has disorder","286056","2023-09-05","19:16:54",""
"1569272","10.4984","0.0006","13.6723","0.0008","12.6001","0.0008","90","","108.468","0.007","90","","1715.44","0.19","298","","289","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.","An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.","Chemical science","2023","14","25","6963","6969","10.1039/d3sc01578e","","x-ray","0.71073","MoKα","","0.1075","0.0623","","","0.1825","0.2261","","","","","","1.143","","","","has coordinates","284901","2023-07-05","09:46:21",""
"1569273","8.2759","0.0004","18.6849","0.0008","11.6613","0.0006","90","","106.981","0.005","90","","1724.62","0.15","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.","An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.","Chemical science","2023","14","25","6963","6969","10.1039/d3sc01578e","","x-ray","0.71073","MoKα","","0.0778","0.0577","","","0.1745","0.1994","","","","","","1.2112","","","","has coordinates","284901","2023-07-05","09:46:21",""
"1569274","9.0157","0.0003","11.1293","0.0004","11.8264","0.0003","88.918","0.003","87.476","0.003","74.544","0.003","1142.59","0.07","293","2","293","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C28 H27 N O2 S -","- C28 H27 N O2 S -","- C56 H54 N2 O4 S2 -","2","1","","Singh, Bara; Ansari, Arshad J.; Malik, Nirmal; Ramasastry, S. S. V.","An interrupted Corey-Chaykovsky reaction of designed azaarenium salts: synthesis of complex polycyclic spiro- and fused cyclopropanoids.","Chemical science","2023","14","25","6963","6969","10.1039/d3sc01578e","","x-ray","0.71073","MoKα","","0.0743","0.0502","","","0.1363","0.149","","","","","","1.12","","","","has coordinates","284901","2023-07-05","09:46:21",""
"1569293","17.6863","0.0014","18.9328","0.0015","20.2709","0.0017","114.66","0.004","97.896","0.004","108.962","0.003","5531.9","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C234 H232 B4 F16 N25 O17 Pt2 -","- C204 H192 N20 O12 Pt2 -","- C204 H192 N20 O12 Pt2 -","1","0.5","","Bobylev, Eduard O.; Knol, Renzo A.; Mathew, Simon; Poole, David A.; Kotsogianni, Ioli; Martin, Nathaniel I.; de Bruin, Bas; Kros, Alexander; Reek, Joost N. H.","In vivo biodistribution of kinetically stable Pt2L4 nanospheres that show anti-cancer activity","Chemical Science","2023","14","25","6943","6952","10.1039/D3SC01086D","","x-ray","0.71073","MoKα","","0.2012","0.1262","","","0.2622","0.3166","","","","","","1.121","","","","has coordinates","284561","2023-06-29","09:04:50",""
"1569294","55.539","0.0014","8.6589","0.0003","32.5046","0.0008","90","","90.397","0.002","90","","15631.3","0.8","100","","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C155 H186 F36 N14 O7 Sb6 -","- C155 H186 F36 N14 O7 Sb6 -","- C620 H744 F144 N56 O28 Sb24 -","4","0.5","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.1845","0.0896","","","0.195","0.2449","","","","","","1.027","","","","has coordinates,has disorder","284562","2023-06-29","09:06:52",""
"1569295","19.1475","0.0005","13.0806","0.0003","28.6942","0.0007","90","","101.915","0.002","90","","7031.9","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H84 F11 N6 O3 Sb -","- C82 H84 F11 N6 O3 Sb -","- C328 H336 F44 N24 O12 Sb4 -","4","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.1378","0.084","","","0.1938","0.2173","","","","","","1.091","","","","has coordinates,has disorder","284562","2023-06-29","09:06:57",""
"1569296","43.9853","0.0006","47.129","0.0006","13.0964","0.0002","90","","90","","90","","27148.6","0.7","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C72 H81 F6 N6 O Sb -","- C72 H81 F6 N6 O Sb -","- C1152 H1296 F96 N96 O16 Sb16 -","16","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","","0.71073","MoKα","","0.0749","0.0489","","","0.0879","0.0948","","","","","","1.038","","","","has coordinates","284562","2023-06-29","09:06:58",""
"1569297","15.9748","0.0007","12.9194","0.0004","34.5124","0.001","90","","101.007","0.004","90","","6991.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H80 Cl6 F6 N7 O Sb -","- C72.001 H80.001 Cl6.003 F6 N7 O Sb -","- C288.004 H320.004 Cl24.012 F24 N28 O4 Sb4 -","4","1","","Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu","Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene","Chemical Science","2023","14","25","7036","7043","10.1039/D2SC07037E","","x-ray","0.71073","MoKα","","0.2501","0.1194","","","0.2699","0.3281","","","","","","1.075","","","","has coordinates,has disorder","284562","2023-06-29","09:07:01",""
"1569298","10.5933","0.0002","13.7861","0.0004","16.9187","0.0004","78.826","0.001","73.728","0.001","69.733","0.001","2212.12","0.09","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H63.61 Ce Cl N2 O2 -","- C50 H63.61 Ce Cl N2 O2 -","- C100 H127.22 Ce2 Cl2 N4 O4 -","2","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.0477","0.035","","","0.0714","0.0783","","","","","","1.04","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569299","10.8086","0.0018","13.8161","0.0017","17.097","0.003","78.952","0.012","73.607","0.015","69.594","0.013","2283.3","0.7","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 Cl N2 Np O -","- C46 H54 Cl N2 Np O -","- C92 H108 Cl2 N4 Np2 O2 -","2","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.1282","0.0722","","","0.1519","0.1782","","","","","","0.989","","","","has coordinates","286035","2023-09-05","19:07:37",""
"1569300","13.8802","0.0007","15.5249","0.0008","22.0162","0.0012","90","","107.63","0.003","90","","4521.4","0.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H66 I N2 Np O -","- C51 H66 I N2 Np O -","- C204 H264 I4 N8 Np4 O4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.099","0.0612","","","0.1114","0.1245","","","","","","1.028","","","","has coordinates","286035","2023-09-05","19:07:37",""
"1569301","17.9304","0.0014","12.006","0.0007","26.7063","0.0018","90","","107.882","0.008","90","","5471.4","0.7","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H75 Cl2 K N2 Np O6 -","- C54 H75 Cl2 K N2 Np O6 -","- C216 H300 Cl8 K4 N8 Np4 O24 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.0732","0.0448","","","0.0796","0.0883","","","","","","1.002","","","","has coordinates","286035","2023-09-05","19:07:37",""
"1569302","13.3428","0.0016","16.9863","0.0019","25.645","0.003","90","","91.263","0.004","90","","5810.9","1.2","100","2","100.02","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H65.73 Cl2 K N2 O2 U -","- C50 H65.727 Cl2 K N2 O2 U -","- C200 H262.908 Cl8 K4 N8 O8 U4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.0635","0.0474","","","0.0808","0.0856","","","","","","1.121","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569303","11.4528","0.0004","21.5419","0.0009","18.1661","0.0007","90","","98.817","0.002","90","","4428.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Ce I N2 O2 -","- C50 H64 Ce I N2 O2 -","- C200 H256 Ce4 I4 N8 O8 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.0445","0.0303","","","0.0704","0.0728","","","","","","1.097","","","","has coordinates","286035","2023-09-05","19:07:37",""
"1569304","13.805","0.001","15.6334","0.0012","21.9877","0.0018","90","","108.057","0.003","90","","4511.6","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62.67 I N2 O2 Pu -","- C50 H62.6666 I N2 O2 Pu -","- C200 H250.666 I4 N8 O8 Pu4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.047","0.0377","","","0.0944","0.0985","","","","","","1.046","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569305","13.7779","0.0008","15.6184","0.001","21.8752","0.0013","90","","107.897","0.001","90","","4479.5","0.5","100","2","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62.4 I N2 O2 U -","- C50 H62.4 I N2 O2 U -","- C200 H249.6 I4 N8 O8 U4 -","4","1","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","x-ray","0.71073","MoKα","","0.0184","0.0161","","","0.0353","0.0362","","","","","","1.039","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569306","13.3524","0.0004","16.9877","0.0005","25.6828","0.0008","90","","90.93","0.001","90","","5824.8","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H131.24 Ce2 Cl4 K2 N4 O5 -","- C100 H131.24 Ce2 Cl4 K2 N4 O5 -","- C200 H262.48 Ce4 Cl8 K4 N8 O10 -","2","0.5","","Murillo, Jesse; Goodwin, Conrad A. P.; Stevens, Lauren; Fortier, Skye; Gaunt, Andrew J.; Scott, Brian L.","Synthesis and comparison of iso-structural f-block metal complexes (Ce, U, Np, Pu) featuring <i>η</i><sup>6</sup>-arene interactions.","Chemical science","2023","14","27","7438","7446","10.1039/d3sc02194g","","","0.71073","MoKα","","0.0527","0.0417","","","0.093","0.1009","","","","","","1.085","","","","has coordinates,has disorder","286035","2023-09-05","19:07:37",""
"1569307","8.6649","0.0008","8.8569","0.0008","9.8661","0.0009","84.893","0.003","88.222","0.003","84.477","0.003","750.47","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 I3 N -","- C11 H14 I3 N -","- C22 H28 I6 N2 -","2","1","","Meng, Zhe; Yan, Jun; Ning, Chao; Shi, Min; Wei, Yin","Construction of pyrroles, furans and thiophenes <i>via</i> intramolecular cascade desulfonylative/dehydrogenative cyclization of vinylidenecyclopropanes induced by NXS (X = I or Br).","Chemical science","2023","14","28","7648","7655","10.1039/d3sc01542d","","","0.71073","MoKα","","0.0873","0.0798","","","0.246","0.2527","","","","","","1.118","","","","has coordinates,has disorder","286032","2023-09-05","19:06:36",""
"1569308","11.555","0.0004","8.3352","0.0002","20.4748","0.0006","90","","105.348","0.001","90","","1901.67","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 I2 N2 O3 S -","- C16 H18 I2 N2 O3 S -","- C64 H72 I8 N8 O12 S4 -","4","1","","Meng, Zhe; Yan, Jun; Ning, Chao; Shi, Min; Wei, Yin","Construction of pyrroles, furans and thiophenes <i>via</i> intramolecular cascade desulfonylative/dehydrogenative cyclization of vinylidenecyclopropanes induced by NXS (X = I or Br).","Chemical science","2023","14","28","7648","7655","10.1039/d3sc01542d","","","0.71073","MoKα","","0.0277","0.0245","","","0.0571","0.0587","","","","","","1.071","","","","has coordinates","286032","2023-09-05","19:06:37",""
"1569309","13.844","0.003","14.078","0.003","20.216","0.005","83.878","0.014","87.451","0.014","75.021","0.014","3783.8","1.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","TPAPF6","","- C38.5 H37 F6 N6.5 O P -","- C41 H36.5 F6 N4 O P -","- C164 H146 F24 N16 O4 P4 -","4","2","","Zhang, Shasha; Yang, Wenfang; Lu, Xiao; Zhang, Xinyi; Pan, Zhichao; Qu, Da-Hui; Mei, Dong; Mei, Ju; Tian, He","Near-infrared AIEgens with high singlet-oxygen yields for mitochondria-specific imaging and antitumor photodynamic therapy","Chemical Science","2023","14","25","7076","7085","10.1039/D3SC00588G","","","1.54178","CuKα","","0.1288","0.0999","","","0.2792","0.3054","","","","","","0.996","","","","has coordinates,has disorder","284566","2023-06-29","09:13:21",""
"1569310","20.9301","0.0008","20.9301","0.0008","37.6852","0.0017","90","","90","","120","","14297","1","219.9","0.2","219.9","0.2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C167 H113 Cl15 Mg3 N18 Sb2 -","- C167 H113 Cl15 Mg3 N18 Sb2 -","- C501 H339 Cl45 Mg9 N54 Sb6 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0968","0.0583","","","0.1567","0.1727","","","","","","0.975","","","","has coordinates","284567","2023-06-29","09:16:22",""
"1569311","20.9744","0.0006","20.9744","0.0006","37.5959","0.0013","90","","90","","120","","14323.5","0.8","219.9","0.4","219.9","0.4","","","","","","","","6","R -3 :H","-R 3","148","","","","- C164 H110 Bi2 Cl6 Mg3 N18 -","- C164 H110 Bi2 Cl6 Mg3 N18 -","- C492 H330 Bi6 Cl18 Mg9 N54 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","x-ray","0.71073","MoKα","","0.045","0.0338","","","0.0799","0.0837","","","","","","1.006","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569312","13.4042","0.0003","21.6415","0.0007","24.8568","0.0008","92.283","0.003","99.219","0.002","94.883","0.002","7081.2","0.4","179.9","0.7","179.9","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C149 H98 Cl6 N15 Sb Zn3 -","- C149 H98 Cl6 N15 Sb Zn3 -","- C298 H196 Cl12 N30 Sb2 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0864","0.0589","","","0.1506","0.1705","","","","","","1.033","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569313","11.5963","0.0003","21.0912","0.0005","28.0154","0.0006","86.6057","0.0018","79.266","0.002","77.064","0.002","6560.2","0.3","180.1","0.2","180.1","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H97 Cl3 N15 Sb Zn3 -","- C148 H97 Cl3 N15 Sb Zn3 -","- C296 H194 Cl6 N30 Sb2 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0704","0.053","","","0.1297","0.1409","","","","","","1.023","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569314","11.5622","0.0005","21.0461","0.0008","27.9789","0.0009","86.862","0.003","79.147","0.003","76.921","0.003","6512.6","0.4","180","2","180.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C153 H110 Bi N15 Zn3 -","- C153 H110 Bi N15 Zn3 -","- C306 H220 Bi2 N30 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.1171","0.0598","","","0.1096","0.129","","","","","","0.934","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569315","9.4717","0.0014","15.5617","0.0007","14.976","0.002","90","","134.03","0.03","90","","1587.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Bi Cl2 N3 -","- C15 H12 Bi Cl2 N3 -","- C60 H48 Bi4 Cl8 N12 -","4","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","x-ray","0.71073","MoKα","","0.05","0.0322","","","0.058","0.0659","","","","","","1.013","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569316","9.8444","0.0006","7.4353","0.0004","14.6876","0.0008","90","","106.385","0.006","90","","1031.41","0.11","293","","293","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H17 Cl2 N4 Sb -","- C20 H17 Cl2 N4 Sb -","- C40 H34 Cl4 N8 Sb2 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0483","0.0376","","","0.0685","0.0773","","","","","","1.065","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569317","13.3955","0.0003","21.5477","0.0007","25.0484","0.0008","92.054","0.003","98.955","0.002","94.962","0.002","7106.2","0.4","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C150 H98 Bi Cl9 N15 Zn3 -","- C150 H98 Bi Cl9 N15 Zn3 -","- C300 H196 Bi2 Cl18 N30 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.091","0.0566","","","0.1448","0.1588","","","","","","1.058","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569318","11.692","0.0004","13.9994","0.0005","19.8328","0.0005","78.498","0.003","76.874","0.003","70.708","0.003","2956.47","0.18","293","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H40 Cl2 Mg N7 Sb -","- C59 H40 Cl2 Mg N7 Sb -","- C118 H80 Cl4 Mg2 N14 Sb2 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0528","0.0369","","","0.0786","0.0864","","","","","","1.03","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569319","20.6368","0.0012","20.6368","0.0012","37.744","0.002","90","","90","","120","","13920.8","1.4","219.9","0.6","219.9","0.6","","","","","","","","5","R -3 :H","-R 3","148","","","","- C162 H108 Mg3 N18 P2 -","- C162 H108 Mg3 N18 P2 -","- C486 H324 Mg9 N54 P6 -","3","0.166667","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.1173","0.0684","","","0.1786","0.2074","","","","","","0.948","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569320","13.5059","0.0004","16.2547","0.0004","30.3809","0.0008","95.529","0.002","93.028","0.002","90.23","0.002","6629.1","0.3","180","0.14","180","","","","","","","","","6","P -1","-P 1","2","","","","- C150 H99 Cl11 N15 Sb Zn3 -","- C150 H99 Cl11 N15 Sb Zn3 -","- C300 H198 Cl22 N30 Sb2 Zn6 -","2","1","","García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl","Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.","Chemical science","2023","14","24","6522","6530","10.1039/d3sc02151c","","","0.71073","MoKα","","0.0799","0.0547","","","0.1326","0.1501","","","","","","1.028","","","","has coordinates","284567","2023-06-29","09:16:23",""
"1569321","14.4466","0.0003","18.0374","0.0003","17.9239","0.0003","90","","98.983","0.001","90","","4613.31","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Br2 N2 O2 -","- C36 H28 Br2 N2 O2 -","- C216 H168 Br12 N12 O12 -","6","1.5","","Yin, Xiuping; Li, Xinxing; Li, Xuyi; Biczysko, Malgorzata; Zhu, Shourong; Xu, Jiaqiang; Bai, Yue-Ling","Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations","Chemical Science","2023","14","25","7016","7025","10.1039/D3SC02051G","","","1.34139","GaKα","","0.0836","0.0664","","","0.1779","0.1937","","","","","","1.051","","","","has coordinates","284568","2023-06-29","09:18:03",""
"1569322","26.4051","0.0017","11.762","0.0006","28.6519","0.0012","90","","110.083","0.002","90","","8357.5","0.8","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C336 H288 Cl24 N24 O24 -","12","3","","Yin, Xiuping; Li, Xinxing; Li, Xuyi; Biczysko, Malgorzata; Zhu, Shourong; Xu, Jiaqiang; Bai, Yue-Ling","Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations","Chemical Science","2023","14","25","7016","7025","10.1039/D3SC02051G","","","1.34139","GaKα","","0.1356","0.0937","","","0.2294","0.2534","","","","","","1.07","","","","has coordinates,has disorder","284568","2023-06-29","09:18:04",""
"1569323","50.1","0.2","6.67","0.02","12.67","0.01","90","","98.52","0.06","90","","4187","2","103","2","103","2","","","","","","","","3","C 1 2 1","C 2y","5","","Sartorypyrone F","","- C26 H38 O4 -","- C26 H38 O4 -","- C208 H304 O32 -","8","2","","Lin, Shu-Yi; Oakley, C. Elizabeth; Jenkinson, Cory B.; Chiang, Yi-Ming; Lee, Ching-Kuo; Jones, Christopher G.; Seidler, Paul M.; Nelson, Hosea M.; Todd, Richard B.; Wang, Clay C. C.; Oakley, Berl R.","A heterologous expression platform in <i>Aspergillus nidulans</i> for the elucidation of cryptic secondary metabolism biosynthetic gene clusters: discovery of the <i>Aspergillus fumigatus</i> sartorypyrone biosynthetic pathway.","Chemical science","2023","14","40","11022","11032","10.1039/d3sc02226a","","","0.02508","200KeVelectrons","","0.1645","0.1502","","","0.3261","0.3363","","","","","","1.285","","","","has coordinates","287319","2023-11-06","07:01:39",""
"1569324","8.0025","0.0009","8.9517","0.0008","9.587","0.001","68.099","0.004","79.046","0.004","82.806","0.003","624.48","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 F2 N2 Sb -","- C13 H15 F2 N2 Sb -","- C26 H30 F4 N4 Sb2 -","2","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0225","0.0194","","","0.0446","0.046","","","","","","1.081","","","","has coordinates","284570","2023-06-29","09:20:56",""
"1569325","17.2704","0.0008","12.0396","0.0006","7.6022","0.0003","90","","108.934","0.002","90","","1495.19","0.12","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H15 Br2 N2 Sb -","- C13 H15 Br2 N2 Sb -","- C52 H60 Br8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0141","0.0137","","","0.033","0.0332","","","","","","1.033","","","","has coordinates","284570","2023-06-29","09:21:01",""
"1569326","8.7403","0.0009","9.2435","0.0006","22.984","0.003","90","","95.441","0.004","90","","1848.5","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Bi Cl2 N2 O -","- C17 H23 Bi Cl2 N2 O -","- C68 H92 Bi4 Cl8 N8 O4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0262","0.0187","","","0.0324","0.0348","","","","","","1.044","","","","has coordinates","301209","2025-07-10","11:18:52",""
"1569327","12.4279","0.0006","7.8441","0.0004","19.0889","0.001","90","","96.771","0.002","90","","1847.92","0.16","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl2 N2 Sb -","- C19 H19 Cl2 N2 Sb -","- C76 H76 Cl8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0288","0.0224","","","0.0461","0.0487","","","","","","1.063","","","","has coordinates","284570","2023-06-29","09:21:01",""
"1569328","7.7393","0.0007","15.609","0.002","36.44","0.005","90","","93.984","0.003","90","","4391.4","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Bi Cl2 N2 -","- C22 H25 Bi Cl2 N2 -","- C176 H200 Bi8 Cl16 N16 -","8","2","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0519","0.0464","","","0.1047","0.109","","","","","","1.064","","","","has coordinates","284570","2023-06-29","09:21:01",""
"1569329","10.7292","0.0005","9.9358","0.0006","13.955","0.0007","90","","91.646","0.002","90","","1487.03","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl2 N2 Sb -","- C13 H15 Cl2 N2 Sb -","- C52 H60 Cl8 N8 Sb4 -","4","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0176","0.0151","","","0.0368","0.0379","","","","","","1.094","","","","has coordinates,has disorder","284570","2023-06-29","09:21:02",""
"1569330","22.9835","0.0006","22.9835","0.0006","14.1686","0.0004","90","","90","","90","","7484.4","0.3","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C19 H19 Bi Cl2 N2 -","- C19 H19 Bi Cl2 N2 -","- C304 H304 Bi16 Cl32 N32 -","16","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0221","0.0187","","","0.0438","0.0452","","","","","","1.049","","","","has coordinates","284570","2023-06-29","09:21:02",""
"1569331","7.7567","0.0009","11.3335","0.0015","13.6924","0.0017","65.998","0.003","80.92","0.003","76.814","0.003","1067.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Cl2 N2 Sb -","- C22 H25 Cl2 N2 Sb -","- C44 H50 Cl4 N4 Sb2 -","2","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0196","0.0178","","","0.0446","0.0455","","","","","","1.078","","","","has coordinates","284570","2023-06-29","09:21:02",""
"1569332","12.379","0.004","12.587","0.004","18.983","0.006","79.607","0.007","75.288","0.007","80.032","0.007","2788.6","1.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H36 B Cl F24 N2 Sb -","- C54 H36 B Cl F24 N2 Sb -","- C108 H72 B2 Cl2 F48 N4 Sb2 -","2","1","","Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro","Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.","Chemical science","2023","14","24","6579","6584","10.1039/d3sc01493b","","x-ray","0.71073","MoKα","","0.0569","0.0445","","","0.1123","0.1195","","","","","","1.068","","","","has coordinates,has disorder","284570","2023-06-29","09:21:02",""
"1569333","11.5264","0.0008","12.3665","0.0009","14.7242","0.0008","88.001","0.002","88.826","0.002","64.702","0.002","1896.3","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cl4 N2 O6 -","- C42 H34 Cl4 N2 O6 -","- C84 H68 Cl8 N4 O12 -","2","1","","Sneddon, Dorian S.; Hoye, Thomas R.","The contrasting reactivity of <i>trans</i>- <i>vs. cis</i>-azobenzenes (ArN[double bond, length as m-dash]NAr) with benzynes.","Chemical science","2023","14","24","6730","6737","10.1039/d3sc02253f","","","0.71073","MoKα","","0.057","0.045","","","0.1141","0.1234","","","","","","1.033","","","","has coordinates","284571","2023-06-29","09:22:23",""
"1569334","11.824","0.004","19.935","0.006","24.553","0.008","105.035","0.007","102.319","0.007","97.01","0.008","5363","3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","23003z","","","- C31.5 H30.75 N2.25 O3 Si -","- C31.5 H30.75 N2.25 O3 Si -","- C252 H246 N18 O24 Si8 -","8","4","","Sneddon, Dorian S.; Hoye, Thomas R.","The contrasting reactivity of <i>trans</i>- <i>vs. cis</i>-azobenzenes (ArN[double bond, length as m-dash]NAr) with benzynes.","Chemical science","2023","14","24","6730","6737","10.1039/d3sc02253f","","","0.71073","MoKα","","0.1737","0.0931","","","0.2098","0.2564","","","","","","1.023","","","","has coordinates","299904","2025-06-02","18:21:23",""
"1569335","8.2186","0.0009","10.7453","0.0013","12.237","0.0014","115.168","0.003","93.669","0.004","93.606","0.004","971.2","0.2","213","2","213","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C50 H44 O8 -","2","1","","Li, Can; Zhou, Zhengnan; Ma, Shengming","A Pd-catalyzed highly selective three-component protocol for trisubstituted allenes.","Chemical science","2023","14","28","7709","7715","10.1039/d3sc01849k","","","0.71073","MoKα","","0.0397","0.0361","","","0.0911","0.0943","","","","","","1.023","","","","has coordinates","286030","2023-09-05","19:05:54",""
"1569336","10.0066","0.0005","34.6611","0.0004","13.2116","0.0007","90","","139.278","0.011","90","","2989.4","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F10 N2 Ni -","- C13 H8 F10 N2 Ni -","- C104 H64 F80 N16 Ni8 -","8","2","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","0.71073","MoKα","","0.0606","0.0537","","","0.1224","0.1251","","","","","","1.145","","","","has coordinates,has disorder","284573","2023-06-29","09:25:04",""
"1569337","10.6069","0.0003","10.0489","0.0002","11.2681","0.0003","90","","98.067","0.002","90","","1189.16","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F10 N4 Ni -","- C24 H20 F10 N4 Ni -","- C48 H40 F20 N8 Ni2 -","2","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0629","0.058","","","0.1748","0.1802","","","","","","1.128","","","","has coordinates","284573","2023-06-29","09:25:04",""
"1569338","10.22025","0.00017","14.9324","0.0003","17.5031","0.0002","90","","105.407","0.0017","90","","2575.2","0.08","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 F18 N2 Ni2 O -","- C20 H18 F18 N2 Ni2 O -","- C80 H72 F72 N8 Ni8 O4 -","4","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0518","0.0438","","","0.1254","0.1317","","","","","","1.051","","","","has coordinates","284573","2023-06-29","09:25:04",""
"1569339","20.0089","0.0005","9.688","0.0001","20.2007","0.0006","90","","118.582","0.003","90","","3438.62","0.17","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F12 N4 Ni2 O9 -","- C28 H22 F12 N4 Ni2 O9 -","- C112 H88 F48 N16 Ni8 O36 -","4","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0373","0.0359","","","0.0987","0.0997","","","","","","1.082","","","","has coordinates","284573","2023-06-29","09:25:04",""
"1569340","7.472","0.0004","8.6669","0.0004","12.3403","0.0006","99.771","0.004","105.008","0.004","105.431","0.004","719.21","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 F6 N4 Ni O6 -","- C28 H26 F6 N4 Ni O6 -","- C28 H26 F6 N4 Ni O6 -","1","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0551","0.0482","","","0.1287","0.1329","","","","","","1.063","","","","has coordinates,has disorder","284573","2023-06-29","09:25:04",""
"1569341","9.6861","0.0001","13.9546","0.0001","10.8974","0.0001","90","","110.646","0.001","90","","1378.36","0.02","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F10 N2 Ni -","- C12 H6 F10 N2 Ni -","- C48 H24 F40 N8 Ni4 -","4","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0344","0.034","","","0.0848","0.085","","","","","","1.101","","","","has coordinates","284573","2023-06-29","09:25:04",""
"1569342","9.3627","0.0004","9.4114","0.0004","9.5203","0.0003","110.183","0.004","114.583","0.004","99.41","0.004","668.08","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 F14 N4 Ni -","- C26 H20 F14 N4 Ni -","- C26 H20 F14 N4 Ni -","1","0.5","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0598","0.0544","","","0.1526","0.1568","","","","","","1.063","","","","has coordinates,has disorder","284573","2023-06-29","09:25:05",""
"1569343","8.6514","0.0002","13.0136","0.0003","13.6104","0.0004","88.652","0.002","84.551","0.002","71.915","0.002","1450.03","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 F10 N4 Ni O4 -","- C26 H20 F10 N4 Ni O4 -","- C52 H40 F20 N8 Ni2 O8 -","2","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0494","0.045","","","0.1232","0.1265","","","","","","1.064","","","","has coordinates,has disorder","284573","2023-06-29","09:25:05",""
"1569344","11.5628","0.0005","13.9251","0.0007","17.4612","0.0007","90","","101.679","0.004","90","","2753.3","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl2 F18 N3 Ni2 -","- C19 H15 Cl2 F18 N3 Ni2 -","- C76 H60 Cl8 F72 N12 Ni8 -","4","1","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.1239","0.0832","","","0.2121","0.2411","","","","","","1.05","","","","has coordinates","284573","2023-06-29","09:25:05",""
"1569345","12.2434","0.0003","13.7951","0.0003","19.1053","0.0004","99.235","0.003","93.899","0.003","94.115","0.004","3166.45","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F22 N2 Ni2 O5 -","- C24 H18 F22 N2 Ni2 O5 -","- C96 H72 F88 N8 Ni8 O20 -","4","2","","Deolka, Shubham; Govindarajan, R.; Khaskin, Eugene; Vasylevskyi, Serhii; Bahri, Janet; Fayzullin, Robert R.; Roy, Michael C.; Khusnutdinova, Julia R.","Oxygen transfer reactivity mediated by nickel perfluoroalkyl complexes using molecular oxygen as a terminal oxidant","Chemical Science","2023","14","25","7026","7035","10.1039/D3SC01861J","","x-ray","1.54184","CuKα","","0.0827","0.0694","","","0.1911","0.2021","","","","","","1.092","","","","has coordinates","284573","2023-06-29","09:25:05",""
"1569346","15.4147","0.0005","10.4118","0.0004","12.7924","0.0004","90","","90","","90","","2053.11","0.12","298.37","0.1","298.37","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C92 H100 N4 O12 S4 -","4","1","","Lin, Han-Ze; Qi, Zhuang; Wu, Qi-Min; Jiang, Yong-Yu; Peng, Jin-Bao","Palladium-catalyzed intramolecular asymmetric hydrocyclopropanylation of alkynes: synthesis of cyclopropane-fused γ-lactams.","Chemical science","2023","14","27","7564","7568","10.1039/d3sc02168h","","x-ray","1.54184","CuKα","","0.0592","0.0548","","","0.1463","0.153","","","","","","1.015","","","","has coordinates","286033","2023-09-05","19:06:57",""
"1569347","6.7397","0.0002","8.1678","0.0002","16.0806","0.0005","93.714","0.002","95.548","0.002","96.111","0.002","873.54","0.04","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H16 Cl N O3 S -","- C19 H14.5 Cl N O3 S -","- C38 H29 Cl2 N2 O6 S2 -","2","2","","Lin, Han-Ze; Qi, Zhuang; Wu, Qi-Min; Jiang, Yong-Yu; Peng, Jin-Bao","Palladium-catalyzed intramolecular asymmetric hydrocyclopropanylation of alkynes: synthesis of cyclopropane-fused γ-lactams.","Chemical science","2023","14","27","7564","7568","10.1039/d3sc02168h","","","1.54184","CuKα","","0.0733","0.0594","","","0.1584","0.1721","","","","","","1.031","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1569348","6.9158","0.0003","7.5748","0.0003","17.5449","0.0006","90","","94.912","0.003","90","","915.73","0.06","150","0.2","150","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C44 H50 N2 O4 -","2","1","","Mikan, Charles P.; Matthews, Aidan; Harris, Daniel; McIvor, Charlotte E.; Waddell, Paul G.; Sims, Mark T.; Knowles, Jonathan P.","Stereoselective two-carbon ring expansion of allylic amines via electronic control of palladium-promoted equilibria","Chemical Science","2023","14","25","6992","6996","10.1039/D3SC02303F","","x-ray","1.54184","CuKα","","0.0484","0.0459","","","0.1257","0.1277","","","","","","1.079","","","","has coordinates","284575","2023-06-29","09:26:56",""
"1569349","7.1457","0.0001","14.9447","0.0003","33.743","0.0007","90","","90","","90","","3603.43","0.12","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 Cl2 N O9 S -","- C35 H49 Cl2 N O9 S -","- C140 H196 Cl8 N4 O36 S4 -","4","1","","Mikan, Charles P.; Matthews, Aidan; Harris, Daniel; McIvor, Charlotte E.; Waddell, Paul G.; Sims, Mark T.; Knowles, Jonathan P.","Stereoselective two-carbon ring expansion of allylic amines via electronic control of palladium-promoted equilibria","Chemical Science","2023","14","25","6992","6996","10.1039/D3SC02303F","","x-ray","1.54184","CuKα","","0.0617","0.053","","","0.1233","0.1275","","","","","","1.057","","","","has coordinates,has disorder","284575","2023-06-29","09:26:56",""
"1569350","14.1114","0.0008","17.2949","0.001","19.1195","0.0011","92.959","0.002","105.254","0.002","90.553","0.002","4494.5","0.4","104","2","104","","","","","","","","","3","P -1","-P 1","2","","","","- C62.5 H47 Cl -","- C62.5 H47 Cl -","- C250 H188 Cl4 -","4","2","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.1296","0.1218","","","0.3018","0.3038","","","","","","1.152","","","","has coordinates","286026","2023-09-05","19:04:05",""
"1569351","15.4947","0.0008","17.9161","0.0009","19.1436","0.001","86.013","0.003","86.561","0.003","73.993","0.003","5091.3","0.5","100","","100","","","","","","","","","2","P -1","-P 1","2","","","","- C138 H134 -","- C138 H134 -","- C276 H268 -","2","1","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.0652","0.0585","","","0.1513","0.1568","","","","","","1.043","","","","has coordinates,has disorder","286026","2023-09-05","19:04:06",""
"1569352","37.1031","0.0013","18.2874","0.0006","30.6172","0.001","90","","123.328","0.002","90","","17357.8","1.1","100","","100","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C116 H108 -","- C116 H108 -","- C928 H864 -","8","1","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.0681","0.0562","","","0.1372","0.1453","","","","","","1.043","","","","has coordinates,has disorder","286026","2023-09-05","19:04:06",""
"1569353","12.6773","0.0003","17.7433","0.0004","18.0024","0.0004","72.511","0.001","77.902","0.001","82.932","0.002","3768.61","0.15","100","2","100","","","","","","","","","2","P -1","-P 1","2","","","","- C105.99 H77.99 -","- C105.993 H77.992 -","- C211.986 H155.984 -","2","1","","Sun, Zhitao; Fan, Wei; Han, Yi; Yuan, Wei; Ni, Yong; Wang, Jinyi; Wei, Haipeng; Zhao, Yanli; Sun, Zhe; Wu, Jishan","Helical fused 1,2:8,9-dibenzozethrene oligomers with up to 201° end-to-end twist: ""one-pot"" synthesis and chiral resolution.","Chemical science","2023","14","29","7922","7927","10.1039/d3sc02285d","","","1.54178","CuKα","","0.1047","0.0766","","","0.1801","0.2001","","","","","","1.045","","","","has coordinates,has disorder","286026","2023-09-05","19:04:06",""
"1569359","14.0027","0.001","15.4287","0.0013","20.8968","0.0018","102.072","0.003","104.783","0.002","108.198","0.002","3936.5","0.6","190","2","190","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N2 Ni O -","- C44 H48 N2 Ni O -","- C176 H192 N8 Ni4 O4 -","4","2","","Li, Qiankun; Mu, Hongliang; Jian, Zhongbao","Facile access to diverse polyethylenes via neutral salicylaldiminato nickel catalysts","Polymer Chemistry","2023","14","27","3196","3202","10.1039/D3PY00450C","","","0.71073","MoKα","","0.0983","0.0531","","","0.1152","0.1402","","","","","","1.027","","","","has coordinates","285535","2023-08-05","09:37:54",""
"1569360","12.6742","0.0003","20.3077","0.0006","15.1446","0.0004","90","","94.37","0.001","90","","3886.64","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 N2 O2 Pd -","- C50 H42 N2 O2 Pd -","- C200 H168 N8 O8 Pd4 -","4","1","","Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Pol, Harshawardhan V.; Prabhu M., Basava; Rokade, Dhammaraj; Nandimath, Sheetal; Chikkali, Samir H.","Palladium-catalyzed polar solvent empowered synthesis of hyper-branched ethylene oligomers and their applications","Polymer Chemistry","2023","14","27","3239","3251","10.1039/D3PY00311F","","","0.71073","MoKα","","0.0391","0.0322","","","0.0766","0.0808","","","","","","1.046","","","","has coordinates","285534","2023-08-05","09:37:42",""
"1569361","7.25651","0.00012","14.5203","0.0002","16.1412","0.0002","90","","90","","90","","1700.75","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H34 Al N -","- C16 H34 Al N -","- C64 H136 Al4 N4 -","4","1","","Safaie, Niloofar; Rodriguez, Austin; Jana, Gourhari; Smak, Jessica; Mendoza-Cortes, Jose L.; Ferrier, Robert C.","Unveiling the mechanisms of epoxide polymerization with N–Al adduct catalysts: a comprehensive experimental and theoretical investigation","Polymer Chemistry","2023","14","27","3213","3224","10.1039/D3PY00482A","","x-ray","1.54184","CuKα","","0.0433","0.0375","","","0.0962","0.0976","","","","","","1.03","","","","has coordinates","285536","2023-08-05","09:38:02",""
"1569362","7.5824","0.0002","12.9289","0.0003","15.4855","0.0003","90","","90","","90","","1518.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H30 Al N -","- C12 H30 Al N -","- C48 H120 Al4 N4 -","4","1","","Safaie, Niloofar; Rodriguez, Austin; Jana, Gourhari; Smak, Jessica; Mendoza-Cortes, Jose L.; Ferrier, Robert C.","Unveiling the mechanisms of epoxide polymerization with N–Al adduct catalysts: a comprehensive experimental and theoretical investigation","Polymer Chemistry","2023","14","27","3213","3224","10.1039/D3PY00482A","","x-ray","1.54184","CuKα","","0.0413","0.0396","","","0.1027","0.1047","","","","","","1.026","","","","has coordinates","285536","2023-08-05","09:38:03",""
"1569363","12.4095","0.0003","20.9214","0.0004","18.3058","0.0004","90","","101.641","0.001","90","","4654.87","0.18","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H75 Al N2 O2 -","- C48 H75 Al N2 O2 -","- C192 H300 Al4 N8 O8 -","4","1","","Wang, Xing; Zhang, Yanping; Hong, Miao","Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers","Polymer Chemistry","2023","14","28","3286","3293","10.1039/D3PY00546A","","","0.71073","MoKα","","0.0654","0.047","","","0.1114","0.1246","","","","","","1.046","","","","has coordinates","285533","2023-08-05","09:37:29",""
"1569364","9.7774","0.0007","17.9495","0.0015","24.4311","0.0018","90","","95.074","0.002","90","","4270.8","0.6","192","2","192","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H71 Al N2 O2 -","- C43 H71 Al N2 O2 -","- C172 H284 Al4 N8 O8 -","4","1","","Wang, Xing; Zhang, Yanping; Hong, Miao","Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers","Polymer Chemistry","2023","14","28","3286","3293","10.1039/D3PY00546A","","","0.71073","MoKα","","0.0722","0.0497","","","0.1121","0.1275","","","","","","1.047","","","","has coordinates","285533","2023-08-05","09:37:30",""
"1569365","13.3447","0.0008","17.0418","0.0011","18.5572","0.0012","90","","107.455","0.002","90","","4025.9","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H67 Al N2 O2 -","- C41 H67 Al N2 O2 -","- C164 H268 Al4 N8 O8 -","4","1","","Wang, Xing; Zhang, Yanping; Hong, Miao","Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers","Polymer Chemistry","2023","14","28","3286","3293","10.1039/D3PY00546A","","","0.71073","MoKα","","0.0982","0.0543","","","0.1092","0.1321","","","","","","1.042","","","","has coordinates","285533","2023-08-05","09:37:30",""
"1569366","12.1211","0.0004","17.4339","0.0006","20.9006","0.0006","90","","92.523","0.001","90","","4412.4","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H75 Al N2 O2 -","- C45 H75 Al N2 O2 -","- C180 H300 Al4 N8 O8 -","4","1","","Wang, Xing; Zhang, Yanping; Hong, Miao","Insights into the interaction between bis(aryloxide)alkylaluminum and N-heterocyclic carbene: from an abnormal Lewis adduct to a frustrated Lewis pair for efficient polymerizations of biomass-derived acrylic monomers","Polymer Chemistry","2023","14","28","3286","3293","10.1039/D3PY00546A","","","0.71073","MoKα","","0.0651","0.0467","","","0.1033","0.1147","","","","","","1.05","","","","has coordinates","285533","2023-08-05","09:37:30",""
"1569380","23.1223","0.0006","10.6267","0.0003","11.3533","0.0003","90","","98.087","0.001","90","","2761.92","0.13","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H48 I N6 P -","- C23 H48 I N6 P -","- C92 H192 I4 N24 P4 -","4","0.5","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0431","0.0405","","","0.0971","0.0985","","","","","","1.24","","","","has coordinates,has disorder","286028","2023-09-05","19:05:28",""
"1569381","9.5526","0.0003","12.6149","0.0005","14.1053","0.0005","106.682","0.002","106.508","0.002","103.779","0.002","1463.45","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H47 I2 N6 P -","- C23 H47 I2 N6 P -","- C46 H94 I4 N12 P2 -","2","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0373","0.033","","","0.0844","0.0873","","","","","","1.085","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569382","12.9856","0.0003","9.8313","0.0002","20.5049","0.0005","90","","101.643","0.001","90","","2563.9","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(sItBuN)2PMe","","- C23 H47 N6 P -","- C23 H47 N6 P -","- C92 H188 N24 P4 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0399","0.0388","","","0.1018","0.1026","","","","","","1.157","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569383","19.1275","0.0009","9.9593","0.0005","17.3077","0.0008","90","","92.711","0.003","90","","3293.4","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 I4 N6 P -","- C23 H47 I4 N6 P -","- C92 H188 I16 N24 P4 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0431","0.0379","","","0.1013","0.1061","","","","","","1.076","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569384","13.7117","0.0005","16.9823","0.0009","29.5424","0.0008","74.076","0.003","82.009","0.003","67.187","0.004","6093.5","0.5","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C110 H118 B2 F48 N12 O P2 -","- C110 H118 B2 F48 N12 O P2 -","- C220 H236 B4 F96 N24 O2 P4 -","2","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","x-ray","0.71073","MoKα","","0.0664","0.0545","","","0.1386","0.1503","","","","","","1.062","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569385","27.9781","0.0006","12.6688","0.0003","28.6912","0.0006","90","","90","","90","","10169.6","0.4","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C55 H75 N6 P -","- C55 H75 N6 P -","- C440 H600 N48 P8 -","8","2","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0748","0.0641","","","0.1602","0.1679","","","","","","1.085","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569386","12.9765","0.0002","20.2016","0.0004","20.259","0.0004","90","","104.944","0.001","90","","5131.2","0.17","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H73 N6 P -","- C55 H73 N6 P -","- C220 H292 N24 P4 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0869","0.0606","","","0.1412","0.1534","","","","","","1.036","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569387","12.1219","0.0002","21.3779","0.0003","22.6","0.0003","106.534","0.0007","90.8992","0.0007","91.4357","0.0007","5611.07","0.14","100","2","100.02","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H74 F3 N6 O3 P S -","- C56 H74 F3 N6 O3 P S -","- C224 H296 F12 N24 O12 P4 S4 -","4","2","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.0741","0.0529","","","0.1282","0.139","","","","","","1.025","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569388","13.5828","0.0004","48.1844","0.0012","19.0661","0.0005","90","","92.09","0.002","90","","12470.1","0.6","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C117.75 H157 F12 N12 O12.5 P2 S4 -","- C117.75 H157 F12 N12 O12.5 P2 S4 -","- C471 H628 F48 N48 O50 P8 S16 -","4","1","","Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian","Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.","Chemical science","2023","14","29","7928","7935","10.1039/d3sc02899b","","","0.71073","MoKα","","0.1184","0.0981","","","0.2195","0.2281","","","","","","1.13","","","","has coordinates,has disorder","286028","2023-09-05","19:05:29",""
"1569389","9.1061","0.0002","12.0634","0.0002","14.0083","0.0003","90","","90","","90","","1538.82","0.05","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Wu, Changhui; Chang, Zhiqian; Peng, Chuanyong; Bai, Chen; Xing, Junhao; Dou, Xiaowei","Catalytic asymmetric indolization by a desymmetrizing [3 + 2] annulation strategy.","Chemical science","2023","14","29","7980","7987","10.1039/d3sc02474a","","","1.54178","CuKα","","0.0339","0.0317","","","0.0772","0.0793","","","","","","1.05","","","","has coordinates","286029","2023-09-05","19:05:46",""
"1569390","7.3445","0.0019","23.984","0.003","13.177","0.0013","90","","90","","90","","2321.1","0.7","298","","298","","710000","","710000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C35.1 H35.5 O14.2 Sc2 -","- C35.02 H36.4208 O14.32 Sc2 -","- C70.04 H72.8416 O28.64 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","x-ray","0.4859","synchrotron","","0.1523","0.1371","","","0.4127","0.4424","","","","","","2.065","","","","has coordinates,has disorder","286031","2023-09-05","19:06:24",""
"1569391","7.3205","0.0015","26.609","0.005","11.922","0.002","90","","90","","90","","2322.3","0.8","298","","298","","470000","","470000","","","","","5","C m m a","-C 2a 2","67","GUF-1","","","- C35.8 H29.7 N O12.3 Sc2 -","- C35.84 H29.72 N1.04 O12.28 Sc2 -","- C71.68 H59.44 N2.08 O24.56 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1788","0.1393","","","0.3403","0.3704","","","","","","1.299","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569392","7.29","0.003","22.957","0.004","13.4286","0.0014","90","","90","","90","","2247.4","1","298","","298","","2130000","","2130000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.5 H41.26 O15.48 Sc2 -","- C33.38 H23.52 O10 Sc2 -","- C66.76 H47.04 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1525","0.1425","","","0.4148","0.4296","","","","","","1.905","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569393","7.3533","0.0015","26.584","0.005","11.879","0.002","90","","90","","90","","2322.1","0.8","298","","298","","230000","","230000","","","","","5","C m m a","-C 2a 2","67","GUF-1","","","- C36.1 H28.4 N1.2 O11.7 Sc2 -","- C36.2 H30 N1.6 O11.8 Sc2 -","- C72.4 H60 N3.2 O23.6 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1256","0.1025","","","0.271","0.2879","","","","","","1.103","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569394","7.241","0.004","22.814","0.007","13.473","0.003","90","","90","","90","","2225.7","1.5","298","","298","","2610000","","2610000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.8 H41.32 O15.76 Sc2 -","- C33.64 H24.56 O10 Sc2 -","- C67.28 H49.12 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1265","0.1136","","","0.3519","0.3628","","","","","","1.47","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569395","7.18","0.002","22.587","0.004","13.5541","0.0013","90","","90","","90","","2198.1","0.8","298","","298","","3200000","","3200000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.6 H40.6 O15.6 Sc2 -","- C33.44 H23.76 O10 Sc2 -","- C66.88 H47.52 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1189","0.1106","","","0.3495","0.3636","","","","","","1.663","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569396","7.0143","0.0012","21.941","0.007","13.6972","0.0019","90","","90","","90","","2108","0.8","298","","298","","4980000","","4980000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.6 H40.4 O15.5 Sc2 -","- C33.96 H25.84 O10 Sc2 -","- C67.92 H51.68 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.125","0.1109","","","0.3232","0.3328","","","","","","1.216","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569397","7.1429","0.0017","22.463","0.003","13.5504","0.0012","90","","90","","90","","2174.2","0.6","298","","298","","3450000","","3450000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.3 H39.12 O15.26 Sc2 -","- C33.56 H24.24 O10 Sc2 -","- C67.12 H48.48 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1266","0.1158","","","0.3457","0.357","","","","","","1.598","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569398","7.0769","0.0014","22.232","0.004","13.613","0.0015","90","","90","","90","","2141.8","0.6","298","","298","","4110000","","4110000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.5 H40.2 O15.5 Sc2 -","- C33.8 H25.2 O10 Sc2 -","- C67.6 H50.4 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1048","0.0904","","","0.2598","0.2702","","","","","","1.104","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569399","7.1069","0.0018","22.297","0.004","13.5858","0.0016","90","","90","","90","","2152.8","0.7","298","","298","","3850000","","3850000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.3 H39.22 O15.26 Sc2 -","- C33.36 H23.44 O10 Sc2 -","- C66.72 H46.88 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1487","0.1301","","","0.4137","0.4264","","","","","","1.807","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569400","7.213","0.002","22.789","0.003","13.4966","0.0013","90","","90","","90","","2218.5","0.7","298","","298","","2840000","","2840000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C37.5 H40.48 O15.76 Sc2 -","- C33.44 H23.76 O10 Sc2 -","- C66.88 H47.52 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1189","0.1106","","","0.3495","0.3636","","","","","","1.663","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569401","7.038","0.0015","22.061","0.006","13.652","0.002","90","","90","","90","","2119.7","0.8","298","","298","","4600000","","4600000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C36.2 H35.2 O14.2 Sc2 -","- C33.7 H24.8 O10 Sc2 -","- C67.4 H49.6 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1225","0.1003","","","0.2767","0.2932","","","","","","1.095","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569402","7.3292","0.0016","23.332","0.003","13.3614","0.0011","90","","90","","90","","2284.9","0.6","298","","298","","1610000","","1610000","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- C36.74 H35.36 O13.74 Sc2 -","- C33.86 H25.44 O10 Sc2 -","- C67.72 H50.88 O20 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.4589","synchrotron","","0.1452","0.13","","","0.4145","0.4401","","","","","","1.888","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569403","7.3054","0.0005","26.5207","0.0017","11.755","0.0009","90","","90","","90","","2277.5","0.3","273","2","273.15","","","","","","","","","4","C m m a","-C 2a 2","67","GUF-1","","","- H24 N1.2 O10.6 Sc2 -","- C34.4 H24 N1.2 O10.6 Sc2 -","- C68.8 H48 N2.4 O21.2 Sc4 -","2","0.125","","Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; Pakamorė, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S.","Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework.","Chemical science","2023","14","28","7716","7724","10.1039/d3sc00904a","","","0.71073","MoKα","","0.0925","0.0904","","","0.2662","0.2682","","","","","","1.073","","","","has coordinates,has disorder","286031","2023-09-05","19:06:25",""
"1569404","9.7802","0.0003","23.3448","0.0007","13.2357","0.0004","90","","111.722","0.002","90","","2807.35","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 F3 N2 O5 P -","- C23 H38 F3 N2 O5 P -","- C92 H152 F12 N8 O20 P4 -","4","1","","Piris, Patricia; Buric, Duje; Yamasaki, Toshihide; Huchedé, Paul; Rossi, Maïlys; Matteudi, Mélanie; Montero, Marie-Pierre; Rodallec, Anne; Appay, Romain; Roux, Christine; Combes, Sébastien; Pasquier, Eddy; Castets, Marie; André, Nicolas; Brémond, Paul; Carré, Manon","Conditional generation of free radicals by selective activation of alkoxyamines: towards more effective and less toxic targeting of brain tumors.","Chemical science","2023","14","29","7988","7998","10.1039/d3sc01315d","","x-ray","0.71073","MoKα","","0.1418","0.0637","","","0.1623","0.2218","","","","","","1.024","","","","has coordinates","286025","2023-09-05","19:02:34",""
"1569405","9.6414","0.0002","17.8695","0.0003","16.8961","0.0004","90","","110.21","","90","","2731.76","0.1","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 F3 N2 O5 P -","- C23 H38 F3 N2 O5 P -","- C92 H152 F12 N8 O20 P4 -","4","1","","Piris, Patricia; Buric, Duje; Yamasaki, Toshihide; Huchedé, Paul; Rossi, Maïlys; Matteudi, Mélanie; Montero, Marie-Pierre; Rodallec, Anne; Appay, Romain; Roux, Christine; Combes, Sébastien; Pasquier, Eddy; Castets, Marie; André, Nicolas; Brémond, Paul; Carré, Manon","Conditional generation of free radicals by selective activation of alkoxyamines: towards more effective and less toxic targeting of brain tumors.","Chemical science","2023","14","29","7988","7998","10.1039/d3sc01315d","","x-ray","0.71073","MoKα","","0.1355","0.0813","","","0.2216","0.272","","","","","","1.045","","","","has coordinates","286025","2023-09-05","19:02:34",""
"1569408","31.196","0.003","31.607","0.003","44.006","0.004","90","","91.733","0.002","90","","43371","7","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C432 H334 Ca24 Cl6 O186 -","- C432 H334 Ca24 Cl6 O200 -","- C864 H668 Ca48 Cl12 O400 -","2","0.5","","Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L.","Nanocapsules of unprecedented internal volume seamed by calcium ions.","Chemical science","2023","14","34","9063","9067","10.1039/d3sc01629c","","","0.7749","synchrotron","","0.1893","0.1663","","","0.4734","0.5175","","","","","","2.606","","","","has coordinates,has disorder","286074","2023-09-05","19:23:06",""
"1569409","36.2373","0.0012","36.2373","0.0012","36.2373","0.0012","90","","90","","90","","47585","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C534 H732 Ca38 N24 Na24 O290 -","- C534 H534 Ca38 N24 Na24 O290 -","- C1068 H1068 Ca76 N48 Na48 O580 -","2","0.0208333","","Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L.","Nanocapsules of unprecedented internal volume seamed by calcium ions.","Chemical science","2023","14","34","9063","9067","10.1039/d3sc01629c","","","1.54178","CuKα","","0.1333","0.1136","","","0.3689","0.4261","","","","","","2.184","","","","has coordinates,has disorder","286074","2023-09-05","19:23:07",""
"1569425","16.0157","0.0005","16.9055","0.0006","8.2684","0.0002","90","","90","","90","","2238.7","0.12","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H30 N4 O3 -","- C24 H30 N4 O3 -","- C96 H120 N16 O12 -","4","0.5","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0513","0.0432","","","0.1117","0.1168","","","","","","1.054","","","","has coordinates","284771","2023-07-04","03:58:51",""
"1569426","8.9175","0.0004","9.6423","0.0005","10.4108","0.0005","62.612","0.002","67.462","0.002","72.983","0.002","726.71","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 N4 O2 -","- C36 H36 N4 O2 -","- C36 H36 N4 O2 -","1","0.5","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0498","0.0394","","","0.1026","0.1104","","","","","","1.025","","","","has coordinates","284771","2023-07-04","03:58:52",""
"1569427","12.9054","0.001","13.4545","0.0011","22.5621","0.0018","76.114","0.003","82.526","0.003","62.714","0.003","3379","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H69 Cl9 N8 -","- C75 H69 Cl9 N8 -","- C150 H138 Cl18 N16 -","2","1","","Yang, Zhaozheng; Esteve, Ferran; Antheaume, Cyril; Lehn, Jean-Marie","Dynamic covalent self-assembly and self-sorting processes in the formation of imine-based macrocycles and macrobicyclic cages.","Chemical science","2023","14","24","6631","6642","10.1039/d3sc01174g","","","0.71073","MoKα","","0.0831","0.0659","","","0.1778","0.1941","","","","","","1.031","","","","has coordinates","284771","2023-07-04","03:58:52",""
"1569428","21.8313","0.0006","21.8313","0.0006","11.5605","0.0004","90","","90","","120","","4771.6","0.2","255","","255","","","","","","","","","5","P 65","P 65","170","","","","- C35 H31 N3 O4 S -","- C35 H31 N3 O4 S -","- C210 H186 N18 O24 S6 -","6","1","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins <i>via</i> C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0274","0.0268","","","0.071","0.0715","","","","","","1.053","","","","has coordinates","286024","2023-09-05","19:02:22",""
"1569429","9.1729","0.0004","15.6495","0.0007","19.844","0.0008","90","","90","","90","","2848.6","0.2","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 N O3 S -","- C34 H33 N O3 S -","- C136 H132 N4 O12 S4 -","4","1","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins <i>via</i> C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0436","0.0424","","","0.118","0.1191","","","","","","1.051","","","","has coordinates","286024","2023-09-05","19:02:22",""
"1569430","14.7897","0.0015","13.9358","0.0014","27.027","0.003","90","","103.411","0.004","90","","5418.5","1","153","","153","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H54 Cl4 N2 O4 P Rh -","- C57 H54 Cl4 N2 O4 P Rh -","- C228 H216 Cl16 N8 O16 P4 Rh4 -","4","2","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins <i>via</i> C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0527","0.0518","","","0.1319","0.1327","","","","","","1.061","","","","has coordinates","286024","2023-09-05","19:02:22",""
"1569431","6.0808","0.0001","13.2575","0.0002","31.0012","0.0005","90","","90","","90","","2499.2","0.07","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (1S,2S,4aS)-1,4a-dimethyl-7-nitro-2-(nitrooxy)-6-phenyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate","","- C26 H27 N2 O9 -","- C26 H27 N2 O9 -","- C104 H108 N8 O36 -","4","1","","Nandi, Rhituparna; Niyogi, Sovan; Kundu, Sourav; Gavit, Vipin R.; Munda, Mintu; Murmu, Ranjit; Bisai, Alakesh","Total synthesis of atropisomeric indolosesquiterpenoids <i>via</i> N-N bond formation: dixiamycins A and B.","Chemical science","2023","14","30","8047","8053","10.1039/d2sc07119c","","","1.54184","CuKα","","0.0861","0.0748","","","0.205","0.2139","","","","","","1.042","","","","has coordinates","286062","2023-09-05","19:18:51",""
"1569432","12.5024","0.0001","16.6275","0.0002","17.2067","0.0002","100.567","0.001","109.891","0.001","104.994","0.001","3100.64","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H50 O37 Zr6 -","- C28 H50 O37 Zr6 -","- C56 H100 O74 Zr12 -","2","1","","Murali, Meenu; Bijani, Christian; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo","Acetate exchange mechanism on a Zr<sub>12</sub> oxo hydroxo cluster: relevance for reshaping Zr-carboxylate coordination adaptable networks.","Chemical science","2023","14","30","8152","8163","10.1039/d3sc02204h","","x-ray","1.54184","CuKα","","0.0395","0.037","","","0.1077","0.1097","","","","","","1.081","","","","has coordinates","286059","2023-09-05","19:18:15",""
"1569446","22.0253","0.0007","14.2617","0.0005","22.4081","0.0008","90","","119.274","0.001","90","","6139.9","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H70.26 B2 N4.75 O2 Ru S2 -","- C73.504 H70.256 B2 N4.752 O2 Ru S2 -","- C294.016 H281.024 B8 N19.008 O8 Ru4 S8 -","4","1","","Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.","Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state","Chemical Science","2023","14","26","7279","7284","10.1039/D3SC01526B","","","0.71073","MoKα","","0.064","0.0436","","","0.1025","0.1123","","","","","","1.037","","","","has coordinates,has disorder","284996","2023-07-05","22:12:52",""
"1569447","22.0479","0.0008","14.2689","0.0006","22.3824","0.0009","90","","119.173","0.001","90","","6148.3","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.51 H70.28 B2 N4.76 O2 Ru S2 -","- C73.516 H70.274 B2 N4.758 O2 Ru S2 -","- C294.064 H281.096 B8 N19.032 O8 Ru4 S8 -","4","1","","Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.","Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state","Chemical Science","2023","14","26","7279","7284","10.1039/D3SC01526B","","","0.71073","MoKα","","0.0583","0.041","","","0.1018","0.1091","","","","","","1.027","","","","has coordinates,has disorder","284996","2023-07-05","22:13:05",""
"1569448","22.0415","0.0009","14.2574","0.0006","22.4105","0.0009","90","","119.253","0.001","90","","6144.5","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73.5 H70.1 B2 N4.75 O2 Ru S2 -","- C73.502 H70.097 B2 N4.751 O2 Ru S2 -","- C294.008 H280.388 B8 N19.004 O8 Ru4 S8 -","4","1","","Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J.","Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state","Chemical Science","2023","14","26","7279","7284","10.1039/D3SC01526B","","","0.71073","MoKα","","0.0566","0.0413","","","0.0975","0.1046","","","","","","1.051","","","","has coordinates,has disorder","284996","2023-07-05","22:13:05",""
"1569449","12.7641","0.0004","57.5684","0.0016","36.0789","0.0011","90","","94.785","0.001","90","","26418.7","1.4","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C115 H124 O24 S8 Tb4 -","- C115 H124 O24 S8 Tb4 -","- C920 H992 O192 S64 Tb32 -","8","1","","Wang, Hao; Zhu, Zhenhua; La Droitte, Léo; Liao, Wuping; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui","Toroidal moment and dynamical control in luminescent 1D and 3D terbium calixarene compounds","Chemical Science","2023","14","26","7208","7214","10.1039/D3SC00541K","","","1.54178","CuKα","","0.0643","0.0462","","","0.1107","0.1254","","","","","","1.057","","","","has coordinates","284997","2023-07-05","22:14:20",""
"1569450","19.1485","0.0007","19.6598","0.0006","21.4502","0.0007","90.609","0.002","111.829","0.002","90.189","0.002","7495.4","0.4","179","","179","","","","","","","","","6","P -1","-P 1","2","","","","- C121 H133 N3 O24 S8 Tb4 -","- C121 H133 N3 O24 S8 Tb4 -","- C242 H266 N6 O48 S16 Tb8 -","2","1","","Wang, Hao; Zhu, Zhenhua; La Droitte, Léo; Liao, Wuping; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui","Toroidal moment and dynamical control in luminescent 1D and 3D terbium calixarene compounds","Chemical Science","2023","14","26","7208","7214","10.1039/D3SC00541K","","","1.54178","CuKα","","0.0861","0.0577","","","0.1344","0.1552","","","","","","1.056","","","","has coordinates","284997","2023-07-05","22:14:21",""
"1569451","14.9954","0.0006","16.1533","0.0007","20.1627","0.0009","86.179","0.002","74.935","0.002","80.127","0.002","4645","0.3","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C80 H96 N6 O8 -","- C80 H96 N6 O8 -","- C160 H192 N12 O16 -","2","1","","Dhara, Ayan; Dmitrienko, Anton; Hussein, Rahaf N.; Sotomayor, Ariel; Wilson, Benjamin H.; Loeb, Stephen J.","A translationally active ligand based on a [2]rotaxane molecular shuttle with a 2,2'-bipyridyl core.","Chemical science","2023","14","26","7215","7220","10.1039/d3sc01346d","","","0.71073","MoKα","","0.1232","0.1078","","","0.2715","0.2815","","","","","","1.063","","","","has coordinates,has disorder","286057","2023-09-05","19:17:11",""
"1569452","19.9646","0.0012","21.9566","0.0014","22.5133","0.0015","69.998","0.002","78.914","0.002","81.231","0.002","9060.2","1","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C163 H201 N13 O18 Zn -","- C163 H201 N13 O18 Zn -","- C326 H402 N26 O36 Zn2 -","2","1","","Dhara, Ayan; Dmitrienko, Anton; Hussein, Rahaf N.; Sotomayor, Ariel; Wilson, Benjamin H.; Loeb, Stephen J.","A translationally active ligand based on a [2]rotaxane molecular shuttle with a 2,2'-bipyridyl core.","Chemical science","2023","14","26","7215","7220","10.1039/d3sc01346d","","","0.71073","MoKα","","0.1795","0.1115","","","0.3123","0.3687","","","","","","1.197","","","","has coordinates,has disorder","286057","2023-09-05","19:17:11",""
"1569453","8.702","0.0003","10.7451","0.0004","25.902","0.0009","90","","90","","90","","2421.94","0.15","199.99","0.1","199.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O4 S -","- C28 H24 N2 O4 S -","- C112 H96 N8 O16 S4 -","4","1","","Si, Xiao-Ju; Zhao, Xiaofang; Wang, Jianli; Wang, Xinhai; Zhang, Yuanshuo; Yang, Dandan; Song, Mao-Ping; Niu, Jun-Long","Cobalt-catalyzed enantioselective C-H/N-H annulation of aryl sulfonamides with allenes or alkynes: facile access to C-N axially chiral sultams.","Chemical science","2023","14","26","7291","7303","10.1039/d3sc01787g","","x-ray","1.54184","CuKα","","0.084","0.0589","","","0.1715","0.1748","","","","","","1.159","","","","has coordinates","286054","2023-09-05","19:13:41",""
"1569454","8.348","0.005","9.154","0.005","16.683","0.009","98.03","0.02","92.58","0.02","90.2","0.02","1261","1.2","298","2","298","","","","","","","","","5","P 1","P 1","1","","","","- C31 H25 N2 O2 S -","- C31 H24 N2 O2 S -","- C62 H48 N4 O4 S2 -","2","2","","Si, Xiao-Ju; Zhao, Xiaofang; Wang, Jianli; Wang, Xinhai; Zhang, Yuanshuo; Yang, Dandan; Song, Mao-Ping; Niu, Jun-Long","Cobalt-catalyzed enantioselective C-H/N-H annulation of aryl sulfonamides with allenes or alkynes: facile access to C-N axially chiral sultams.","Chemical science","2023","14","26","7291","7303","10.1039/d3sc01787g","","","0.71073","MoKα","","0.0771","0.0495","","","0.1156","0.1304","","","","","","1.043","","","","has coordinates","286054","2023-09-05","19:13:41",""
"1569455","17.8906","0.0004","21.6153","0.0005","23.3885","0.0005","110.163","0.002","103.825","0.002","105.043","0.002","7642.4","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C113 H114 Ag4 Au9 Cl7 P8 -","- C113 H114 Ag4 Au9 Cl7 P8 -","- C226 H228 Ag8 Au18 Cl14 P16 -","2","1","","Jiang, Lirong; Jing, Mengmeng; Yin, Bing; Du, Wenjun; Wang, Xiaojian; Liu, Ying; Chen, Shuang; Zhu, Manzhou","Bright near-infrared circularly polarized electrochemiluminescence from Au<sub>9</sub>Ag<sub>4</sub> nanoclusters.","Chemical science","2023","14","26","7304","7309","10.1039/d3sc01329d","","","1.54186","CuKα","","0.0992","0.0882","","","0.2493","0.269","","","","","","1.037","","","","has coordinates,has disorder","286052","2023-09-05","19:13:19",""
"1569479","12.5846","0.0004","22.3829","0.0007","20.1826","0.0006","90","","90","","90","","5685","0.3","142","2","142","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C26 H33 N O6 Si -","- C26 H33 N O6 Si -","- C208 H264 N8 O48 Si8 -","8","1","","Sang, Xinpeng; Mo, Yuhao; Li, Shiya; Liu, Xiaohua; Cao, Weidi; Feng, Xiaoming","Bimetallic tandem catalysis-enabled enantioselective cycloisomerization/carbonyl-ene reaction for construction of 5-oxazoylmethyl α-silyl alcohol.","Chemical science","2023","14","31","8315","8320","10.1039/d3sc01048a","","","1.54178","CuKα","","0.0268","0.0252","","","0.063","0.0644","","","","","","1.037","","","","has coordinates","286066","2023-09-05","19:19:47",""
"1569480","21.8311","0.0011","8.2255","0.0004","29.1754","0.0014","90","","93.759","0.004","90","","5227.8","0.4","113.15","","113.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ethyl (E)-3-(3-((3-(2-cyanophenyl)-2,5-dimethyl-1H-indol-1-yl)sulfonyl)-5-methylphenyl)acrylate","","- C29.5 H28 N2 O4.5 S -","- C29.5 H28 N2 O4.5 S -","- C236 H224 N16 O36 S8 -","8","1","","Zhang, Pengfei; Jiang, Zhiwei; Fan, Zhoulong; Li, Guoshuai; Ma, Qingxue; Huang, Jun; Tang, Jinghong; Xu, Xiaohua; Yu, Jin-Quan; Jin, Zhong","Macrocyclization <i>via</i> remote <i>meta</i>-selective C-H olefination using a practical indolyl template.","Chemical science","2023","14","31","8279","8287","10.1039/d3sc01670f","","x-ray","0.71073","MoKα","","0.1549","0.0815","","","0.1636","0.2054","","","","","","1.036","","","","has coordinates,has disorder","286065","2023-09-05","19:19:34",""
"1569486","21.2891","0.0004","8.1032","0.0001","36.4586","0.0007","90","","90","","90","","6289.47","0.19","173","0.1","173","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H32 F4 O8 -","- C36 H32 F4 O8 -","- C288 H256 F32 O64 -","8","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.078","0.0731","","","0.1888","0.1945","","","","","","1.06","","","","has coordinates,has disorder","286068","2023-09-05","19:20:47",""
"1569487","10.6793","0.0003","11.6277","0.0002","12.141","0.0003","72.256","0.002","77.897","0.002","64.159","0.002","1287.12","0.06","169.98","0.11","169.98","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O8 -","- C32 H28 O8 -","- C64 H56 O16 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0524","0.0488","","","0.1345","0.1373","","","","","","1.054","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569488","11.6918","0.0001","8.0303","0.0001","23.5644","0.0002","90","","90.325","0.001","90","","2212.39","0.04","169.99","0.11","169.99","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F4 O4 -","- C28 H20 F4 O4 -","- C112 H80 F16 O16 -","4","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0397","0.0361","","","0.0956","0.0982","","","","","","1.055","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569489","17.2008","0.0002","8.132","0.0001","33.0797","0.0003","90","","91.243","0.001","90","","4626","0.09","169.99","0.11","169.99","0.11","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H16 F8 O4 -","- C28 H16 F8 O4 -","- C224 H128 F64 O32 -","8","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0396","0.0367","","","0.1005","0.1025","","","","","","1.049","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569490","10.0405","0.0001","11.2749","0.0002","12.924","0.0002","104.28","0.001","105.195","0.001","98.368","0.001","1333.29","0.04","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 F4 O8 -","- C32 H24 F4 O8 -","- C64 H48 F8 O16 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0396","0.0384","","","0.1025","0.1035","","","","","","1.053","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569491","10.4892","0.0002","7.6223","0.0001","34.5522","0.0006","90","","94.927","0.002","90","","2752.3","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F4 O8 -","- C32 H24 F4 O8 -","- C128 H96 F16 O32 -","4","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0448","0.0381","","","0.0965","0.1005","","","","","","1.023","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569492","12.7227","0.0004","12.7227","0.0004","23.8456","0.0005","90","","90","","90","","3859.82","0.19","225","40","225","40","","","","","","","","6","P -4 c 2","P -4 -2c","116","","","","- C78 H60 F8 N8 O8 S4 -","- C78 H60 F8 N8 O8 S4 -","- C156 H120 F16 N16 O16 S8 -","2","0.25","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0649","0.041","","","0.102","0.1151","","","","","","1.023","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569493","8.8879","0.0002","13.4255","0.0005","14.8388","0.0004","101.412","0.003","103.513","0.002","101.034","0.003","1634.29","0.09","172.98","0.17","172.98","0.17","","","","","","","","6","P -1","-P 1","2","","","","- C72 H60 F8 N8 O12 S2 -","- C72 H60 F8 N8 O12 S2 -","- C72 H60 F8 N8 O12 S2 -","1","0.5","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1457","0.1171","","","0.2816","0.2904","","","","","","1.103","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569494","12.4912","0.0003","12.4912","0.0003","23.9051","0.0007","90","","90","","90","","3729.91","0.17","174","3","174","3","","","","","","","","7","P -4 c 2","P -4 -2c","116","","","","- C68 H57 Cl5 F8 N8 O10 S4 -","- C68 H57 Cl3 F8 N8 O10 S4 -","- C136 H114 Cl6 F16 N16 O20 S8 -","2","0.25","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1088","0.0922","","","0.2541","0.2765","","","","","","1.001","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569495","21.3087","0.0003","11.0893","0.0002","37.4232","0.0005","90","","90.386","0.001","90","","8842.8","0.2","105","4","105","4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 Cl2 N8 O6 S2 -","- C44 H38 Cl2 N8 O6 S2 -","- C352 H304 Cl16 N64 O48 S16 -","8","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0874","0.0769","","","0.2023","0.2115","","","","","","1.04","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569496","13.7566","0.0003","14.5509","0.0003","18.1357","0.0004","83.2409","0.0018","87.432","0.002","63.772","0.002","3233.74","0.13","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C61 H48 Cl0.5 N8 O6 S14 -","- C61 H48 Cl0.5 N8 O6 S14 -","- C122 H96 Cl N16 O12 S28 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0835","0.0743","","","0.2201","0.2322","","","","","","1.086","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569497","11.22933","0.00019","23.1073","0.0006","13.31714","0.00019","90","","90.7038","0.0014","90","","3455.26","0.12","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H55.5 F8 N10.5 O11 S2 -","- C70 H55.5 F8 N10.5 O11 S2 -","- C140 H111 F16 N21 O22 S4 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1012","0.0962","","","0.2736","0.2803","","","","","","1.082","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569498","10.6803","0.0007","12.0458","0.0008","23.3062","0.0019","90","","90","","90","","2998.4","0.4","112","8","112","8","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 O8 -","- C36 H36 O8 -","- C144 H144 O32 -","4","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.032","0.0316","","","0.0829","0.0832","","","","","","1.09","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569499","8.927","0.0002","13.6209","0.0003","14.7225","0.0003","101.208","0.002","104.314","0.002","101.04","0.002","1646.58","0.07","173","0.1","173","0.1","","","","","","","","6","P 1","P 1","1","","","","- C70 H56 F8 N8 O11.5 S2 -","- C70 H56 F8 N8 O11.5 S2 -","- C70 H56 F8 N8 O11.5 S2 -","1","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0592","0.057","","","0.1691","0.1726","","","","","","0.909","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569500","9.5906","0.0002","15.6459","0.0003","16.7187","0.0002","76.438","0.001","89.655","0.002","73.552","0.002","2334.04","0.08","137","50","137","50","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 F4 N8 O8 S2 -","- C48 H42 F4 N8 O8 S2 -","- C96 H84 F8 N16 O16 S4 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0709","0.0628","","","0.1594","0.1658","","","","","","1.015","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569501","10.6362","0.0005","18.0095","0.0011","26.978","0.002","90","","94.741","0.006","90","","5150","0.6","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H36 Cl F4 N8 O6 S6 -","- C49 H36 Cl F4 N8 O6 S6 -","- C196 H144 Cl4 F16 N32 O24 S24 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1602","0.1335","","","0.278","0.2956","","","","","","1.019","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569502","10.46661","0.0001","23.8858","0.0003","24.0457","0.0002","86.0189","0.0009","82.6961","0.0008","88.0689","0.0009","5946.46","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H39 Cl3 F4 N8 O6 S10 -","- C55 H39 Cl3 F4 N8 O6 S10 -","- C220 H156 Cl12 F16 N32 O24 S40 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.094","0.0869","","","0.2143","0.2175","","","","","","1.084","","","","has coordinates,has disorder","286068","2023-09-05","19:20:48",""
"1569503","10.6988","0.0004","17.9646","0.0007","27.0532","0.0016","90","","94.936","0.005","90","","5180.3","0.4","172.99","0.1","172.99","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49.5 H37 Cl1.5 F4 N8 O6 S6 -","- C49.5 H37 Cl1.5 F4 N8 O6 S6 -","- C198 H148 Cl6 F16 N32 O24 S24 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","","1.54184","CuKα","","0.1504","0.1297","","","0.295","0.3081","","","","","","1.046","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569504","10.48012","0.00013","19.7332","0.0002","14.464","0.0002","90","","108.582","0.0015","90","","2835.31","0.06","172.99","0.1","172.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H44 F8 N8 O10 S2 -","- C64 H44 F8 N8 O10 S2 -","- C128 H88 F16 N16 O20 S4 -","2","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0453","0.0413","","","0.1091","0.1121","","","","","","1.03","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569505","21.6918","0.0002","21.6918","0.0002","24.6601","0.0002","90","","90","","120","","10048.9","0.15","172.99","0.1","172.99","0.1","","","","","","","","6","R 3 :H","R 3","146","","","","- C43.67 H35.67 Cl5 N8 O6 S2 -","- C43.6667 H35.6667 Cl5 N8 O6 S2 -","- C393 H321 Cl45 N72 O54 S18 -","9","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0559","0.0554","","","0.1649","0.1658","","","","","","1.041","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569506","10.4191","0.0002","18.3885","0.0003","26.4258","0.0006","73.686","0.002","88.364","0.002","89.845","0.001","4857.05","0.17","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 F4 N8 O7 S6 -","- C50 H38 F4 N8 O7 S6 -","- C200 H152 F16 N32 O28 S24 -","4","2","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.1215","0.114","","","0.3014","0.308","","","","","","1.068","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569507","7.2901","0.0002","10.5132","0.0003","11.868","0.0004","71.203","0.001","79.002","0.001","83.411","0.001","843.87","0.04","143","","143","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Paul, Shashwati; Adelfinsky, Daniel; Salome, Christophe; Fessard, Thomas; Brown, M. Kevin","2,5-disubstituted bicyclo[2.1.1]hexanes as rigidified cyclopentane variants.","Chemical science","2023","14","30","8070","8075","10.1039/d3sc02695g","","","0.71073","MoKα","","0.0645","0.0466","","","0.1149","0.1246","","","","","","1.024","","","","has coordinates,has disorder","286060","2023-09-05","19:18:23",""
"1569508","13.652","0.004","13.696","0.003","22.841","0.006","104.719","0.005","92.059","0.004","119.705","0.004","3520.6","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H22 F72 K3 Mn3 O22 -","- C36 H22 F72 K3 Mn3 O22 -","- C72 H44 F144 K6 Mn6 O44 -","2","1","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","","0.71073","MoKα","","0.0707","0.0551","","","0.1131","0.1183","","","","","","1.162","","","","has coordinates","286061","2023-09-05","19:18:42",""
"1569509","10.5904","0.0005","11.1918","0.0006","15.4733","0.0007","90","","104.621","0.002","90","","1774.59","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F24 K Mn O10 -","- C24 H24 F24 K Mn O10 -","- C48 H48 F48 K2 Mn2 O20 -","2","0.5","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","x-ray","0.71073","MoKα","","0.0543","0.0443","","","0.1107","0.1191","","","","","","1.025","","","","has coordinates","286061","2023-09-05","19:18:42",""
"1569510","21.074","0.003","8.3424","0.0008","20.453","0.002","90","","105.829","0.005","90","","3459.4","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","JLSI173","","","- C12 H15 F12 Mn0.5 N2 O2 -","- C12 H15 F12 Mn0.5 N2 O2 -","- C96 H120 F96 Mn4 N16 O16 -","8","1","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","","0.71073","MoKα","","0.046","0.0292","","","0.0639","0.0723","","","","","","1.01","","","","has coordinates","286061","2023-09-05","19:18:42",""
"1569511","12.3223","0.0009","12.4204","0.0009","21.1886","0.0015","90.325","0.002","91.037","0.002","108.842","0.002","3068.4","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 F48 K4 Mn2 O14 -","- C36 H26 F48 K4 Mn2 O14 -","- C72 H52 F96 K8 Mn4 O28 -","2","1","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","x-ray","0.71073","MoKα","","0.0728","0.0463","","","0.0961","0.105","","","","","","1.051","","","","has coordinates","286061","2023-09-05","19:18:42",""
"1569512","11.3681","0.0005","11.9761","0.0006","16.7124","0.0008","78.016","0.002","70.97","0.002","84.166","0.002","2102.67","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H37 F24 K2 Mn O8 -","- C27 H37.0012 F24 K2 Mn O8 -","- C54 H74.0024 F48 K4 Mn2 O16 -","2","1","","Moore, Shawn M.; Sun, Chen; Steele, Jennifer L.; Laaker, Ellen M.; Rheingold, Arnold L.; Doerrer, Linda H.","HAA by the first {Mn(iii)OH} complex with all O-donor ligands.","Chemical science","2023","14","30","8187","8195","10.1039/d3sc01971c","","","1.54178","CuKα","","0.0717","0.0677","","","0.1874","0.1904","","","","","","1.049","","","","has coordinates,has disorder","286061","2023-09-05","19:18:42",""
"1569513","10.6371","0.0003","19.9621","0.0005","14.4091","0.0003","90","","109.29","0.003","90","","2887.84","0.14","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H49 B N2 P2 Pd -","- C26 H49 B N2 P2 Pd -","- C104 H196 B4 N8 P8 Pd4 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","","1.54184","CuKα","","0.0861","0.0787","","","0.2066","0.2222","","","","","","1.055","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569514","12.9206","0.0009","17.1954","0.0013","14.897","0.001","90","","103.79","0.007","90","","3214.3","0.4","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H51 B N2 P2 Pd -","- C31 H51 B N2 P2 Pd -","- C124 H204 B4 N8 P8 Pd4 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","0.71073","MoKα","","0.0882","0.0466","","","0.0777","0.0871","","","","","","0.998","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569515","7.8548","0.0001","11.0879","0.0001","17.8239","0.0002","104.218","0.001","94.747","0.001","100.443","0.001","1466.62","0.03","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H51 B N2 P2 Pd -","- C27 H51 B N2 P2 Pd -","- C54 H102 B2 N4 P4 Pd2 -","2","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","1.54184","CuKα","","0.0273","0.0249","","","0.0594","0.0605","","","","","","1.064","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569516","9.9648","0.0003","13.3134","0.0004","14.9073","0.0004","85.337","0.002","79.407","0.003","89.959","0.002","1937.34","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H122 B2 N4 P4 Pd2 -","- C78 H122 B2 N4 P4 Pd2 -","- C78 H122 B2 N4 P4 Pd2 -","1","0.5","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","1.54184","CuKα","","0.0482","0.0428","","","0.1124","0.116","","","","","","1.048","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569517","10.1464","0.0008","11.2723","0.0008","15.0798","0.001","71.643","0.006","89.513","0.006","83.927","0.006","1627.2","0.2","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H102 B2 N4 P4 Pd2 -","- C60 H102 B2 N4 P4 Pd2 -","- C60 H102 B2 N4 P4 Pd2 -","1","0.5","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","0.71073","MoKα","","0.0871","0.065","","","0.1535","0.1637","","","","","","0.994","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569518","24.5886","0.0007","11.3054","0.0003","29.5087","0.0007","90","","114.397","0.003","90","","7470.5","0.4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H114 B2 N4 P4 Pd2 -","- C74 H114 B2 N4 P4 Pd2 -","- C296 H456 B8 N16 P16 Pd8 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","","1.54184","CuKα","","0.0834","0.0789","","","0.1878","0.1899","","","","","","1.176","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569519","14.9723","0.0007","11.4923","0.0006","23.5265","0.0014","90","","105.439","0.006","90","","3902","0.4","93.15","","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H65 B N2 O P2 Pd -","- C37 H65 B N2 O P2 Pd -","- C148 H260 B4 N8 O4 P8 Pd4 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","0.71073","MoKα","","0.0627","0.0403","","","0.0696","0.0741","","","","","","1.02","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569520","11.8927","0.0007","19.9252","0.0009","13.4943","0.0008","90","","112.762","0.007","90","","2948.6","0.3","93.15","","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 B N2 O2 P2 Pd -","- C27 H49 B N2 O2 P2 Pd -","- C108 H196 B4 N8 O8 P8 Pd4 -","4","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","0.71073","MoKα","","0.041","0.0295","","","0.0598","0.0627","","","","","","1.021","","","","has coordinates","286063","2023-09-05","19:19:12",""
"1569521","36.5512","0.0013","8.0925","0.0002","21.4368","0.0006","90","","103.208","0.003","90","","6173.1","0.3","93.15","","93.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H49 B N2 P2 Pd -","- C30 H49 B N2 P2 Pd -","- C240 H392 B8 N16 P16 Pd8 -","8","1","","Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Comparative study of CO<sub>2</sub> insertion into pincer supported palladium alkyl and aryl complexes.","Chemical science","2023","14","30","8164","8179","10.1039/d3sc01459b","","x-ray","1.54184","CuKα","","0.0399","0.0376","","","0.0834","0.0847","","","","","","1.096","","","","has coordinates,has disorder","286063","2023-09-05","19:19:12",""
"1569522","5.6355","0.0005","9.705","0.0009","14.0179","0.0013","87.811","0.008","79.902","0.008","87.432","0.008","753.68","0.12","100.01","0.11","100.01","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 N6 -","- C18 H16 N6 -","- C36 H32 N12 -","2","1","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL<sub>4</sub>]<sup>4+</sup> cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","0.71073","MoKα","","0.0975","0.0637","","","0.14","0.1621","","","","","","1.042","","","","has coordinates","286039","2023-09-05","19:08:58",""
"1569523","10.1145","0.0005","10.504","0.0006","17.3505","0.0007","74.354","0.004","86.08","0.004","61.495","0.006","1555.91","0.17","99.98","0.1","99.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C63 H60 B2 F8 N16 O2 Pd -","- C63 H60 B2 F8 N16 O2 Pd -","- C63 H60 B2 F8 N16 O2 Pd -","1","0.5","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL<sub>4</sub>]<sup>4+</sup> cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","1.54184","CuKα","","0.0982","0.0948","","","0.249","0.2592","","","","","","1.199","","","","has coordinates,has disorder","286039","2023-09-05","19:08:59",""
"1569524","7.9819","0.0001","10.3824","0.0001","14.2482","0.0003","90","","94.673","0.002","90","","1176.84","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 B2 F8 N8 Pd -","- C16 H24 B2 F8 N8 Pd -","- C32 H48 B4 F16 N16 Pd2 -","2","0.5","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL<sub>4</sub>]<sup>4+</sup> cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","1.54184","CuKα","","0.0337","0.0336","","","0.0826","0.0826","","","","","","1.0408","","","","has coordinates","286039","2023-09-05","19:08:59",""
"1569525","11.6471","0.0005","15.816","0.0007","25.1824","0.001","102.42","0.004","99.049","0.003","100.243","0.004","4364.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C75 H73 B4 F16 N27 O6 Pd Pt -","- C74 H70 B3 F12 N26 O4 Pd Pt -","- C148 H140 B6 F24 N52 O8 Pd2 Pt2 -","2","1","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL<sub>4</sub>]<sup>4+</sup> cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","1.54184","CuKα","","0.1027","0.0694","","","0.1616","0.1861","","","","","","1.0423","","","","has coordinates","286039","2023-09-05","19:08:59",""
"1569526","13.8621","0.0002","14.0385","0.0003","27.2264","0.0006","79.615","0.002","75.366","0.002","89.377","0.002","5039.14","0.18","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C83 H82 B4 F16 N29 O3 Pd Pt S -","- C79 H76 B2 F8 N27 O3 Pd Pt S -","- C158 H152 B4 F16 N54 O6 Pd2 Pt2 S2 -","2","1","","Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.","Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL<sub>4</sub>]<sup>4+</sup> cage.","Chemical science","2023","14","32","8615","8623","10.1039/d3sc01354e","","x-ray","1.54184","CuKα","","0.0787","0.071","","","0.1775","0.1804","","","","","","1.029","","","","has coordinates,has disorder","286039","2023-09-05","19:08:59",""
"1569538","9.5313","0.0003","14.4824","0.0005","16.6299","0.0005","90","","90","","90","","2295.53","0.13","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 N2 O -","- C30 H22 N2 O -","- C120 H88 N8 O4 -","4","1","","Zhu, Xiaohan; Wu, Hongli; Wang, Yishou; Huang, Genping; Wang, Fen; Li, Xingwei","Rhodium-catalyzed annulative approach to N-N axially chiral biaryls <i>via</i> C-H activation and dynamic kinetic transformation.","Chemical science","2023","14","32","8564","8569","10.1039/d3sc02800c","","","1.54178","CuKα","","0.0301","0.0288","","","0.0732","0.0747","","","","","","1.067","","","","has coordinates","286044","2023-09-05","19:10:10",""
"1569539","9.1016","0.0001","9.8723","0.0001","17.9089","0.0002","90","","90","","90","","1609.18","0.03","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0259","0.0256","","","0.0687","0.069","","","","","","1.061","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569540","10.5662","0.0007","6.4254","0.0004","14.2474","0.0009","90","","91.616","0.003","90","","966.9","0.11","249.97","","249.97","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C44 H42 N2 O10 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","","1.54178","CuKα","","0.0431","0.0283","","","0.0742","0.0768","","","","","","1.075","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569541","6.4486","0.0003","18.6265","0.0008","7.3386","0.0003","90","","100.102","0.004","90","","867.81","0.07","175","6","175","6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0338","0.0321","","","0.0809","0.0818","","","","","","1.082","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569542","7.0388","0.0001","31.5073","0.0003","7.1572","0.0001","90","","103.361","0.001","90","","1544.32","0.03","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.036","0.0342","","","0.0809","0.082","","","","","","1.045","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569543","9.6532","0.0001","12.5544","0.0001","25.5448","0.0003","90","","90","","90","","3095.78","0.05","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 N O6 Si -","- C34 H39 N O6 Si -","- C136 H156 N4 O24 Si4 -","4","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0285","0.0282","","","0.0757","0.0759","","","","","","1.067","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569544","12.6318","0.0001","7.1496","0.0001","15.6842","0.0001","90","","101.237","0.001","90","","1389.32","0.02","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 N O8 S -","- C30 H31 N O8 S -","- C60 H62 N2 O16 S2 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0242","0.024","","","0.0628","0.0631","","","","","","1.025","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569545","8.9746","0.0003","9.7722","0.0003","12.9941","0.0004","89.169","0.002","76.315","0.002","69.111","0.003","1031.41","0.06","172.99","0.1","172.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O6 -","- C23 H25 N O6 -","- C46 H50 N2 O12 -","2","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0336","0.0317","","","0.0778","0.0792","","","","","","1.0394","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569549","7.68726","0.00003","16.93199","0.00008","13.38321","0.00007","90","","94.5657","0.0004","90","","1736.44","0.014","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Cl2 F2 O4 P2 -","- C30 H50 Cl2 F2 O4 P2 -","- C60 H100 Cl4 F4 O8 P4 -","2","0.5","","Bertrams, Maria-Sophie; Hermainski, Katharina; Mörsdorf, Jean-Marc; Ballmann, Joachim; Kerzig, Christoph","Triplet quenching pathway control with molecular dyads enables the identification of a highly oxidizing annihilator class.","Chemical science","2023","14","32","8583","8591","10.1039/d3sc01725g","","x-ray","1.54184","CuKα","","0.0277","0.0269","","","0.073","0.0736","","","","","","1.069","","","","has coordinates","286042","2023-09-05","19:09:46",""
"1569550","11.9371","0.0008","15.3069","0.0007","17.4558","0.0006","78.259","0.004","76.68","0.004","69.65","0.005","2883.3","0.3","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H74 Cl8 O3 P4 -","- C52 H74 Cl8 O3 P4 -","- C104 H148 Cl16 O6 P8 -","2","1","","Bertrams, Maria-Sophie; Hermainski, Katharina; Mörsdorf, Jean-Marc; Ballmann, Joachim; Kerzig, Christoph","Triplet quenching pathway control with molecular dyads enables the identification of a highly oxidizing annihilator class.","Chemical science","2023","14","32","8583","8591","10.1039/d3sc01725g","","x-ray","0.71073","MoKα","","0.1079","0.0571","","","0.1081","0.1304","","","","","","1.041","","","","has coordinates","286042","2023-09-05","19:09:46",""
"1569551","9.7239","0.0007","9.09","0.0005","11.1927","0.0008","90","","97.359","0.007","90","","981.18","0.11","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C22 H32.97 B Br0.03 -","- C22 H32.966 B Br0.034 -","- C44 H65.932 B2 Br0.068 -","2","0.5","","Bohlen, Josina L.; Endres, Lukas; Drescher, Regina; Radacki, Krzysztof; Dietz, Maximilian; Krummenacher, Ivo; Braunschweig, Holger","Boroles from alumoles: accessing boroles with alkyl-substituted backbones <i>via</i> transtrielation.","Chemical science","2023","14","34","9010","9015","10.1039/d3sc02668j","","x-ray","1.54184","CuKα","K-L~2,3~","0.1138","0.0809","","","0.2164","0.2398","","","","","","0.925","","","","has coordinates,has disorder","286077","2023-09-05","19:23:31",""
"1569552","16.9907","0.0002","10.5544","0.0001","18.3576","0.0002","90","","96.476","0.001","90","","3271","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H56 B N -","- C38 H56 B N -","- C152 H224 B4 N4 -","4","1","","Bohlen, Josina L.; Endres, Lukas; Drescher, Regina; Radacki, Krzysztof; Dietz, Maximilian; Krummenacher, Ivo; Braunschweig, Holger","Boroles from alumoles: accessing boroles with alkyl-substituted backbones <i>via</i> transtrielation.","Chemical science","2023","14","34","9010","9015","10.1039/d3sc02668j","","x-ray","1.54184","CuKα","K-L~2,3~","0.0507","0.0424","","","0.1063","0.111","","","","","","1.03","","","","has coordinates","286077","2023-09-05","19:23:31",""
"1569553","17.166","0.0002","10.5271","0.0001","18.3364","0.0002","90","","96.403","0.001","90","","3292.87","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 B N -","- C39 H58 B N -","- C156 H232 B4 N4 -","4","1","","Bohlen, Josina L.; Endres, Lukas; Drescher, Regina; Radacki, Krzysztof; Dietz, Maximilian; Krummenacher, Ivo; Braunschweig, Holger","Boroles from alumoles: accessing boroles with alkyl-substituted backbones <i>via</i> transtrielation.","Chemical science","2023","14","34","9010","9015","10.1039/d3sc02668j","","x-ray","1.54184","CuKα","K-L~2,3~","0.044","0.0389","","","0.0985","0.1016","","","","","","1.061","","","","has coordinates","286077","2023-09-05","19:23:31",""
"1569554","21.6196","0.0019","12.2443","0.001","19.8455","0.0016","90","","99.296","0.003","90","","5184.4","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris771b (Hemanta Deka)","","","- C39 H80 N6 Si6 Th -","- C39 H80 N6 Si6 Th -","- C156 H320 N24 Si24 Th4 -","4","1","","Deka, Hemanta; Ritacco, Ida; Fridman, Natalia; Caporaso, Lucia; Eisen, Moris S.","Catalytic regeneration of metal-hydrides from their corresponding metal-alkoxides <i>via</i> the hydroboration of carbonates to obtain methanol and diols.","Chemical science","2023","14","31","8369","8379","10.1039/d3sc01700a","","","0.71073","MoKα","","0.0578","0.0304","","","0.05","0.0563","","","","","","0.971","","","","has coordinates","286067","2023-09-05","19:20:00",""
"1569555","20.597","0.011","12.447","0.008","21","0.011","90","","98.366","0.015","90","","5326","5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris710b (Hemanta Deka)","","","- C40 H82 N6 Si6 Th -","- C40 H82 N6 Si6 Th -","- C160 H328 N24 Si24 Th4 -","4","1","","Deka, Hemanta; Ritacco, Ida; Fridman, Natalia; Caporaso, Lucia; Eisen, Moris S.","Catalytic regeneration of metal-hydrides from their corresponding metal-alkoxides <i>via</i> the hydroboration of carbonates to obtain methanol and diols.","Chemical science","2023","14","31","8369","8379","10.1039/d3sc01700a","","","0.71073","MoKα","","0.0872","0.0406","","","0.0789","0.0898","","","","","","0.869","","","","has coordinates","286067","2023-09-05","19:20:01",""
"1569556","20.8858","0.0018","12.2278","0.0011","24.084","0.002","90","","112.951","0.002","90","","5663.8","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris703b (Hemanta Deka)","","","- C44 H91 N6 Si6 Th -","- C44 H91 N6 Si6 Th -","- C176 H364 N24 Si24 Th4 -","4","1","","Deka, Hemanta; Ritacco, Ida; Fridman, Natalia; Caporaso, Lucia; Eisen, Moris S.","Catalytic regeneration of metal-hydrides from their corresponding metal-alkoxides <i>via</i> the hydroboration of carbonates to obtain methanol and diols.","Chemical science","2023","14","31","8369","8379","10.1039/d3sc01700a","","","0.71073","MoKα","","0.1136","0.0482","","","0.066","0.0805","","","","","","0.981","","","","has coordinates","286067","2023-09-05","19:20:01",""
"1569557","44.2057","0.0009","7.381","0.0001","5.6064","0.0001","90","","92.306","0.002","90","","1827.79","0.06","298.5","0.7","298.5","0.7","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H30 O S -","- C19 H30 O S -","- C76 H120 O4 S4 -","4","1","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","x-ray","1.54184","CuKα","","0.035","0.0347","","","0.0998","0.1001","","","","","","1.04","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569558","6.4602","0.0001","10.587","0.0002","11.9686","0.0003","69.336","0.002","76.155","0.002","85.538","0.001","743.65","0.03","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 O S -","- C18 H22 O S -","- C36 H44 O2 S2 -","2","1","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","","1.54184","CuKα","","0.0354","0.0333","","","0.0894","0.0914","","","","","","1.077","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569559","11.1315","0.0004","16.475","0.0006","10.7131","0.0004","90","","90","","90","","1964.69","0.12","100","0.1","100","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C96 H104 O12 -","4","1","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","x-ray","1.54184","CuKα","","0.0556","0.0482","","","0.1261","0.1418","","","","","","1.108","","","","has coordinates","286036","2023-09-05","19:07:50",""
"1569560","5.7084","0.0001","12.2516","0.0002","25.4722","0.0004","88.897","0.001","89.808","0.001","83.742","0.001","1770.51","0.05","100.1","0.5","100.1","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","2","","Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab","A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.","Chemical science","2023","14","32","8624","8634","10.1039/d3sc02440g","","x-ray","1.54184","CuKα","","0.0523","0.0481","","","0.1229","0.1264","","","","","","1.025","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1569561","10.1319","0.0007","25.5792","0.0018","12.5674","0.0009","90","","90.459","0.002","90","","3256.9","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(2-hydroxy-5-methoxy-2,7-dimethyl-2,3-dihydro-1H-inden-1-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C144 H160 N16 O40 -","8","2","","Kuntze, Kim; Pooler, Daisy R. S.; Di Donato, Mariangela; Hilbers, Michiel F.; van der Meulen, Pieter; Buma, Wybren Jan; Priimagi, Arri; Feringa, Ben L.; Crespi, Stefano","A visible-light-driven molecular motor based on barbituric acid.","Chemical science","2023","14","32","8458","8465","10.1039/d3sc03090c","","","1.54178","CuKα","","0.0449","0.0348","","","0.0834","0.0853","","","","","","1.046","","","","has coordinates","286037","2023-09-05","19:07:58",""
"1569562","17.0483","0.0014","4.7023","0.0004","30.687","0.003","90","","103.37","0.002","90","","2393.4","0.4","105","","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H10 F9 I2 N -","- C25 H10 F9 I2 N -","- C100 H40 F36 I8 N4 -","4","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0598","0.0364","","","0.0734","0.0805","","","","","","1.06","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569563","7.982","0.0004","7.9889","0.0004","17.3963","0.0009","84.337","0.002","89.492","0.002","70.559","0.002","1040.62","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H12 F9 N -","- C25 H12 F9 N -","- C50 H24 F18 N2 -","2","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.06","0.039","","","0.0892","0.0991","","","","","","1.017","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569564","18.182","0.004","4.5894","0.001","29.337","0.006","90","","106.945","0.004","90","","2341.7","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H13 F6 I2 N -","- C25 H13 F6 I2 N -","- C100 H52 F24 I8 N4 -","4","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0587","0.0413","","","0.0775","0.0817","","","","","","1.179","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569565","8.4061","0.0003","20.5959","0.0007","12.3043","0.0004","90","","108.644","0.001","90","","2018.47","0.12","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H12 F3 I2 N -","- C23 H12 F3 I2 N -","- C92 H48 F12 I8 N4 -","4","2","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0312","0.0254","","","0.0559","0.0579","","","","","","1.086","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569566","7.3702","0.0007","18.1535","0.0018","34.027","0.003","90","","94.009","0.002","90","","4541.5","0.7","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F7 I2 N -","- C24 H10 F7 I2 N -","- C192 H80 F56 I16 N8 -","8","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0556","0.0404","","","0.0634","0.0667","","","","","","1.183","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569567","18.7496","0.0016","4.7821","0.0004","25.949","0.002","90","","94.215","0.002","90","","2320.4","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H9 F9 I2 -","- C25 H9 F9 I2 -","- C100 H36 F36 I8 -","4","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0806","0.0441","","","0.069","0.0776","","","","","","1.022","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569568","36.9115","0.0018","36.9115","0.0018","8.3724","0.0004","90","","90","","90","","11407.1","1","100","","100","","","","","","","","","6","I -4","I -4","82","","","","- C50 H67.69 Cl1.25 F3 I2 N2.25 -","- C50 H67.695 Cl1.25 F3 I2 N2.25 -","- C400 H541.56 Cl10 F24 I16 N18 -","8","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0408","0.0334","","","0.0697","0.0736","","","","","","1.052","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569569","37.842","0.003","50.545","0.004","8.9837","0.0006","90","","90","","90","","17183","2","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C25 H12 F9 N -","- C25 H12 F9 N -","- C800 H384 F288 N32 -","32","2","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.066","0.0564","","","0.1408","0.1475","","","","","","1.054","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569570","8.2189","0.0005","22.0601","0.0014","26.8587","0.0018","90","","93.235","0.002","90","","4862","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H63 Cl F6 I2 N2 -","- C48 H63 Cl F6 I2 N2 -","- C192 H252 Cl4 F24 I8 N8 -","4","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0405","0.0293","","","0.0665","0.0707","","","","","","1.08","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569571","12.2702","0.0005","13.0397","0.0005","14.4541","0.0006","107.965","0.002","108.36","0.001","93.925","0.002","2052.49","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H52 Cl F3 I2 N2 -","- C41 H52 Cl F3 I2 N2 -","- C82 H104 Cl2 F6 I4 N4 -","2","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0287","0.0232","","","0.0532","0.059","","","","","","1.152","","","","has coordinates,has disorder","286050","2023-09-05","19:12:36",""
"1569572","8.0763","0.0005","15.6429","0.0011","17.8668","0.0012","73.593","0.002","87.048","0.002","88.27","0.002","2162.2","0.3","105","","105","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H46 Cl F9 I2 N2 -","- C41 H46 Cl F9 I2 N2 -","- C82 H92 Cl2 F18 I4 N4 -","2","1","","Sun, Jiyu; Decato, Daniel A.; Bryantsev, Vyacheslav S.; John, Eric A.; Berryman, Orion B.","The interplay between hydrogen and halogen bonding: substituent effects and their role in the hydrogen bond enhanced halogen bond.","Chemical science","2023","14","33","8924","8935","10.1039/d3sc02348f","","x-ray","0.71073","MoKα","","0.0654","0.0507","","","0.1202","0.1324","","","","","","1.146","","","","has coordinates","286050","2023-09-05","19:12:36",""
"1569573","9.9761","0.0018","20.274","0.004","21.922","0.004","89.741","0.003","88.847","0.003","83.127","0.003","4401.1","1.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C85 H110 B F20 N6 O Si2 Y -","- C73 H82 B F20 N6 O Si2 Y -","- C146 H164 B2 F40 N12 O2 Si4 Y2 -","2","1","","Vasanthakumar, Aathith; Price, Jeffrey S.; Emslie, David J. H.","Rare earth dialkyl cations and monoalkyl dications supported by a rigid neutral pincer ligand: synthesis and ethylene polymerization.","Chemical science","2023","14","32","8514","8523","10.1039/d3sc01830j","","","0.71073","MoKα","","0.1826","0.0682","","","0.1118","0.1358","","","","","","0.843","","","","has coordinates,has disorder","286041","2023-09-05","19:09:36",""
"1569574","9.8595","0.0012","20.303","0.003","21.959","0.003","89.917","0.002","89.202","0.002","83.113","0.002","4363.6","1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C85 H92 B F22 N6 O Sc Si2 -","- C73 H82 B F20 N6 O Sc Si2 -","- C146 H164 B2 F40 N12 O2 Sc2 Si4 -","2","1","","Vasanthakumar, Aathith; Price, Jeffrey S.; Emslie, David J. H.","Rare earth dialkyl cations and monoalkyl dications supported by a rigid neutral pincer ligand: synthesis and ethylene polymerization.","Chemical science","2023","14","32","8514","8523","10.1039/d3sc01830j","","","0.71073","MoKα","","0.1129","0.081","","","0.1777","0.1922","","","","","","1.074","","","","has coordinates,has disorder","286041","2023-09-05","19:09:37",""
"1569575","16.4813","0.0003","19.1877","0.0003","28.5841","0.0005","90","","95.453","0.002","90","","8998.5","0.3","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C101 H78 P6 Rh2 -","- C101 H78 P6 Rh2 -","- C404 H312 P24 Rh8 -","4","1","","Masada, Koichiro; Okabe, Kiyosumi; Kusumoto, Shuhei; Nozaki, Kyoko","A dinuclear Rh(-i)/Rh(i) complex bridged by biphilic phosphinine ligands.","Chemical science","2023","14","32","8524","8530","10.1039/d3sc02292g","","x-ray","0.71073","MoKα","","0.0563","0.0494","","","0.1338","0.1401","","","","","","1.114","","","","has coordinates","286043","2023-09-05","19:10:01",""
"1569576","13.1385","0.0002","16.5943","0.0002","20.896","0.0003","93.698","0.001","91.535","0.001","98.479","0.001","4493.61","0.11","93","2","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H90 Na2 O2 P6 Rh2 -","- C102 H90 Na2 O2 P6 Rh2 -","- C204 H180 Na4 O4 P12 Rh4 -","2","1","","Masada, Koichiro; Okabe, Kiyosumi; Kusumoto, Shuhei; Nozaki, Kyoko","A dinuclear Rh(-i)/Rh(i) complex bridged by biphilic phosphinine ligands.","Chemical science","2023","14","32","8524","8530","10.1039/d3sc02292g","","","0.71073","MoKα","","0.0916","0.0739","","","0.1955","0.2075","","","","","","1.03","","","","has coordinates","286043","2023-09-05","19:10:03",""
"1569577","13.0765","0.0012","3.7722","0.0004","25.105","0.002","90","","102.809","0.005","90","","1207.5","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N2 O S -","- C6 H4 N2 O S -","- C48 H32 N16 O8 S8 -","8","2","","Ortiz-Rodríguez, Luis A; Fang, Ye-Guang; Niogret, Germain; Hadidi, Kaivin; Hoehn, Sean J.; Folkwein, Heather J.; Jockusch, Steffen; Tor, Yitzhak; Cui, Ganglong; Levi, Liraz; Crespo-Hernández, Carlos E","Thieno[3,4-<i>d</i>]pyrimidin-4(3<i>H</i>)-thione: an effective, oxygenation independent, heavy-atom-free photosensitizer for cancer cells.","Chemical science","2023","14","33","8831","8841","10.1039/d3sc02592f","","","0.71073","MoKα","","0.0734","0.0462","","","0.087","0.0948","","","","","","1.049","","","","has coordinates","286046","2023-09-05","19:10:32",""
"1569578","10.523","0.005","9.208","0.004","7.108","0.003","90","","100.375","0.015","90","","677.5","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N2 S2 -","- C6 H4 N2 S2 -","- C24 H16 N8 S8 -","4","1","","Ortiz-Rodríguez, Luis A; Fang, Ye-Guang; Niogret, Germain; Hadidi, Kaivin; Hoehn, Sean J.; Folkwein, Heather J.; Jockusch, Steffen; Tor, Yitzhak; Cui, Ganglong; Levi, Liraz; Crespo-Hernández, Carlos E","Thieno[3,4-<i>d</i>]pyrimidin-4(3<i>H</i>)-thione: an effective, oxygenation independent, heavy-atom-free photosensitizer for cancer cells.","Chemical science","2023","14","33","8831","8841","10.1039/d3sc02592f","","x-ray","0.71073","MoKα","K-L~3~","0.0296","0.0258","","","0.0681","0.0704","","","","","","1.065","","","","has coordinates","286046","2023-09-05","19:10:32",""
"1569580","12.3101","0.0002","5.4517","0.0001","14.3867","0.0002","90","","106.621","0.002","90","","925.16","0.03","119.9","0.3","119.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 F N2 O2 -","- C23 H19 F N2 O2 -","- C46 H38 F2 N4 O4 -","2","1","","Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.","Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas","Chemical Science","2023","14","29","7905","7912","10.1039/D3SC01656K","","x-ray","1.54184","CuKα","","0.0738","0.0731","","","0.182","0.1834","","","","","","1.034","","","","has coordinates","285356","2023-07-26","22:18:42",""
"1569581","12.5962","0.0006","5.2216","0.0002","15.4025","0.0006","90","","109.764","0.005","90","","953.38","0.08","120","0.2","120","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br N2 O2 -","- C23 H19 Br N2 O2 -","- C46 H38 Br2 N4 O4 -","2","1","","Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.","Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas","Chemical Science","2023","14","29","7905","7912","10.1039/D3SC01656K","","x-ray","1.54184","CuKα","","0.0759","0.0651","","","0.1664","0.176","","","","","","1.013","","","","has coordinates","285356","2023-07-26","22:18:42",""
"1569582","12.0926","0.0002","5.4361","0.0002","13.6728","0.0003","90","","95.641","0.002","90","","894.45","0.04","120","0.2","120","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C46 H40 N4 O4 -","2","1","","Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.","Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas","Chemical Science","2023","14","29","7905","7912","10.1039/D3SC01656K","","x-ray","1.54184","CuKα","","0.0574","0.055","","","0.1485","0.1526","","","","","","1.063","","","","has coordinates","285356","2023-07-26","22:18:43",""
"1569583","24.1353","0.0004","24.3999","0.0004","26.5043","0.0004","90","","90.951","0.001","90","","15606.2","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C129 H93 Ag13 Au4 Cl18 P6 S9 -","- C129 H93 Ag13 Au4 Cl18 P6 S9 -","- C516 H372 Ag52 Au16 Cl72 P24 S36 -","4","1","","Xin, Junsheng; Xu, Jing; Zhu, Chen; Tian, Yupeng; Zhang, Qiong; Kang, Xi; Zhu, Manzhou","Restriction of intramolecular rotation for functionalizing metal nanoclusters.","Chemical science","2023","14","32","8474","8482","10.1039/d3sc01698f","","x-ray","1.54186","CuKα","","0.0632","0.0443","","","0.1028","0.1078","","","","","","0.924","","","","has coordinates","286038","2023-09-05","19:08:09",""
"1569585","9.72613","0.0001","19.54803","0.00019","20.00438","0.00018","75.8276","0.0008","76.6215","0.0009","89.241","0.0008","3583.73","0.06","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C180.23 H165.95 Cl4.45 -","- C180.229 H165.958 Cl4.458 -","- C180.229 H165.958 Cl4.458 -","1","1","","Obermann, Sebastian; Zheng, Wenhao; Melidonie, Jason; Böckmann, Steffen; Osella, Silvio; Arisnabarreta, Nicolás; Guerrero-León, L Andrés; Hennersdorf, Felix; Beljonne, David; Weigand, Jan J.; Bonn, Mischa; De Feyter, Steven; Hansen, Michael Ryan; Wang, Hai I.; Ma, Ji; Feng, Xinliang","Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenes <i>via</i> one-pot K-region oxidation and Scholl cyclization.","Chemical science","2023","14","32","8607","8614","10.1039/d3sc02824k","","x-ray","1.54184","CuKα","","0.0548","0.0459","","","0.1216","0.1317","","","","","","1.034","","","","has coordinates,has disorder","286040","2023-09-05","19:09:21",""
"1569586","23.6811","0.0006","28.4303","0.0009","21.9446","0.0004","90","","101.217","0.002","90","","14492.2","0.7","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C183 H134 S10 -","- C179.301 H134 S2.602 -","- C717.204 H536 S10.408 -","4","1","","Obermann, Sebastian; Zheng, Wenhao; Melidonie, Jason; Böckmann, Steffen; Osella, Silvio; Arisnabarreta, Nicolás; Guerrero-León, L Andrés; Hennersdorf, Felix; Beljonne, David; Weigand, Jan J.; Bonn, Mischa; De Feyter, Steven; Hansen, Michael Ryan; Wang, Hai I.; Ma, Ji; Feng, Xinliang","Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenes <i>via</i> one-pot K-region oxidation and Scholl cyclization.","Chemical science","2023","14","32","8607","8614","10.1039/d3sc02824k","","x-ray","1.54184","CuKα","","0.1636","0.0902","","","0.2334","0.2928","","","","","","1.023","","","","has coordinates,has disorder","286040","2023-09-05","19:09:22",""
"1569587","9.224","0.004","12.38","0.005","19.363","0.007","85.759","0.015","77.184","0.015","89.43","0.015","2150.1","1.5","120.03","","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 Cl3 Co2 N12 O28.5 -","- C88 H59 Cl3 Co2 N12 O28.5 -","- C88 H59 Cl3 Co2 N12 O28.5 -","1","0.5","","Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Inclán, Mario; García-España, Enrique; Pasán, Jorge; Ruiz-García, Rafael; Cano, Joan","pH-Switching of the luminescent, redox, and magnetic properties in a spin crossover cobalt(ii) molecular nanomagnet.","Chemical science","2023","14","33","8850","8859","10.1039/d3sc02777e","","","0.71073","MoKα","","0.079","0.0704","","","0.2028","0.212","","","","","","1.056","","","","has coordinates,has disorder","286045","2023-09-05","19:10:25",""
"1569588","8.7247","0.0005","13.4869","0.0007","16.4323","0.0008","93.298","0.002","97.277","0.002","91.254","0.002","1913.99","0.18","120.06","","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Co N6 O9 -","- C44 H28 Co N6 O9 -","- C88 H56 Co2 N12 O18 -","2","1","","Rabelo, Renato; Toma, Luminita; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; Inclán, Mario; García-España, Enrique; Pasán, Jorge; Ruiz-García, Rafael; Cano, Joan","pH-Switching of the luminescent, redox, and magnetic properties in a spin crossover cobalt(ii) molecular nanomagnet.","Chemical science","2023","14","33","8850","8859","10.1039/d3sc02777e","","","0.71073","MoKα","","0.2509","0.0987","","","0.1599","0.2183","","","","","","1.013","","","","has coordinates,has disorder","286045","2023-09-05","19:10:25",""
"1569589","6.3426","0.0001","12.1336","0.0002","20.3228","0.0002","90","","90","","90","","1564.01","0.04","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N3 O -","- C19 H20 N3 O -","- C76 H80 N12 O4 -","4","1","","Xie, Chaochao; Xiao, Guiying; Guo, Qianling; Wu, Xiaoxue; Zi, Guofu; Ding, Wanjian; Hou, Guohua","Highly enantioselective Rh-catalyzed asymmetric reductive dearomatization of multi-nitrogen polycyclic pyrazolo[1,5-<i>a</i>]pyrimidines.","Chemical science","2023","14","34","9048","9054","10.1039/d3sc02086j","","x-ray","1.54184","CuKα","","0.0351","0.0343","","","0.0889","0.0894","","","","","","1.076","","","","has coordinates","286075","2023-09-05","19:23:15",""
"1569593","17.67","0.0018","17.67","0.0018","29.511","0.006","90","","90","","120","","7980","2","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H72 Ge4 Si10 -","- C24 H72 Ge4 Si10 -","- C144 H432 Ge24 Si60 -","6","0.333333","","Kühn, Steffen; Köstler, Benedikt; True, Celine; Albers, Lena; Wagner, Matthias; Müller, Thomas; Marschner, Christoph","Selective synthesis of germasila-adamantanes through germanium-silicon shift processes.","Chemical science","2023","14","33","8956","8961","10.1039/d3sc03301e","","","0.71073","MoKα","","0.0544","0.0533","","","0.1098","0.1105","","","","","","0.9974","","","","has coordinates","286049","2023-09-05","19:12:10",""
"1569597","10.3474","0.0008","14.353","0.001","8.148","0.0006","90","","99.271","0.004","90","","1194.3","0.15","260","","260","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O3 S2 -","- C11 H9 N O3 S2 -","- C44 H36 N4 O12 S8 -","4","1","","Wang, Shuo; Yang, Liuqing; Liang, Fangcan; Zhong, Yu; Liu, Xueru; Wang, Qingling; Zhu, Dianhu","Synthetic exploration of electrophilic xanthylation via powerful N-xanthylphthalimides","Chemical Science","2023","14","34","9197","9206","10.1039/D3SC03194B","","","1.34139","GaKα","","0.0685","0.0515","","","0.1218","0.1335","","","","","","1.139","","","","has coordinates","286071","2023-09-05","19:21:54",""
"1569598","10.7498","0.0007","9.0463","0.0008","16.0214","0.0013","90","","90","","90","","1558","0.2","298.45","0.1","298.45","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H16 Cd N4 S3 -","- C9 H16 Cd N4 S3 -","- C36 H64 Cd4 N16 S12 -","4","0.5","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","x-ray","0.71073","MoKα","","0.1031","0.0854","","","0.2717","0.2832","","","","","","1.072","","","","has coordinates,has disorder","286072","2023-09-05","19:22:12",""
"1569599","9.8887","0.0005","16.6064","0.0006","10.7989","0.0004","90","","90","","90","","1773.35","0.13","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C22 Cd2 N8 S6 -","- C22 Cd2 N8 S6 -","- C44 Cd4 N16 S12 -","2","0.25","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.0332","0.0314","","","0.0866","0.0882","","","","","","1.094","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569600","9.448","0.002","9.448","0.002","10.894","0.002","90","0.03","90","0.03","120","0.03","842.2","0.4","343","2","343","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C9 Cd N4 S3 -","- C8.9994 Cd N4 S3 -","- C17.9988 Cd2 N8 S6 -","2","0.0833333","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.1599","0.107","","","0.2122","0.2325","","","","","","1.023","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569601","9.989","0.002","9.989","0.002","10.798","0.002","90","","90","","120","","933.1","0.3","393.01","0.1","393.01","0.1","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C11 Cd N4 S3 -","- C11.0002 Cd N4 S3 -","- C22.0004 Cd2 N8 S6 -","2","0.0833333","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","x-ray","0.71073","MoKα","","0.1787","0.1401","","","0.2672","0.283","","","","","","1.193","","","","has coordinates,has disorder","286072","2023-09-05","19:22:12",""
"1569602","8.984","0.002","10.779","0.002","17.325","0.005","90","","101.771","0.007","90","","1642.4","0.7","286","","286","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cd N4 S3 -","- C10 H18 Cd N4 S3 -","- C40 H72 Cd4 N16 S12 -","4","1","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.1045","0.0716","","","0.2233","0.2562","","","","","","1.028","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569603","9.3109","0.0007","10.7164","0.0006","14.9364","0.0011","90","","90.634","0.007","90","","1490.25","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cd N4 S3 -","- C8 H14 Cd N4 S3 -","- C32 H56 Cd4 N16 S12 -","4","1","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","x-ray","0.71073","MoKα","","0.133","0.0784","","","0.2333","0.2818","","","","","","1.065","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569604","9.703","0.002","9.703","0.002","10.837","0.002","90","0.03","90","0.03","120","0.03","883.6","0.4","353","","353","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C10 Cd N4 S3 -","- C10 Cd N4 S3 -","- C20 Cd2 N8 S6 -","2","0.0833333","","Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Tie; Li, Jie; Lun, Meng-Meng; Fu, Da-Wei; Zhang, Zhi-Xu; Zhang, Yi","Targeted regulation and optimization of multifunctional phase transition materials by novel void occupancy engineering.","Chemical science","2023","14","34","9041","9047","10.1039/d3sc02652c","","","0.71073","MoKα","","0.1978","0.1329","","","0.2879","0.3075","","","","","","1.086","","","","has coordinates","286072","2023-09-05","19:22:12",""
"1569605","10.4075","0.0013","6.8598","0.0008","12.7321","0.0015","90","","101.95","0.006","90","","889.29","0.19","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl N O -","- C10 H10 Cl N O -","- C40 H40 Cl4 N4 O4 -","4","1","","Peng, Marie; Ari, Denis; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Rhodium(i)-catalyzed cascade C(sp<sup>2</sup>)-H bond alkylation - amidation of anilines: phosphorus as traceless directing group.","Chemical science","2023","14","34","9055","9062","10.1039/d3sc02992a","","x-ray","0.71073","MoKα","","0.0582","0.0374","","","0.0838","0.093","","","","","","1.121","","","","has coordinates","286076","2023-09-05","19:23:21",""
"1569608","13.575","0.005","18.655","0.007","19.146","0.008","117.778","0.005","93.671","0.006","98.197","0.006","4199","3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H118 Al2 N6 Y2 -","- C86 H118 Al2 N6 Y2 -","- C172 H236 Al4 N12 Y4 -","2","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.1301","0.0537","","","0.1115","0.1341","","","","","","0.859","","","","has coordinates","286069","2023-09-05","19:21:39",""
"1569609","35.057","0.006","11.675","0.002","20.542","0.004","90","","99.661","0.002","90","","8288","3","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H57 Al N3 O Y -","- C42 H57 Al N3 O Y -","- C336 H456 Al8 N24 O8 Y8 -","8","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.1002","0.0561","","","0.1468","0.1702","","","","","","0.988","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569610","44.077","0.004","13.4246","0.0013","29.287","0.003","90","","93.806","0.002","90","","17291","3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C87 H118 Al2 N6 O Y2 -","- C87 H118 Al2 N6 O Y2 -","- C696 H944 Al16 N48 O8 Y16 -","8","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.124","0.0645","","","0.1657","0.1903","","","","","","0.93","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569611","18.21","0.003","22.124","0.003","26.122","0.004","90","","106.485","0.002","90","","10091","3","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91 H120 Al2 N6 S Y2 -","- C91 H120 Al2 N6 S Y2 -","- C364 H480 Al8 N24 S4 Y8 -","4","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.1124","0.0634","","","0.1601","0.1792","","","","","","0.918","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569612","11.0717","0.0003","12.1069","0.0003","36.4308","0.0009","90","","90","","90","","4883.3","0.2","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H72 Al2 N3 Y -","- C47 H72 Al2 N3 Y -","- C188 H288 Al8 N12 Y4 -","4","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","1.34138","GaKα","","0.0529","0.0465","","","0.1273","0.1318","","","","","","1.055","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569613","69.627","0.011","13.874","0.002","21.791","0.003","90","","98.943","0.003","90","","20794","5","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H119 Al2 N7 S Y2 -","- C92 H119 Al2 N7 S Y2 -","- C736 H952 Al16 N56 S8 Y16 -","8","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","0.71073","MoKα","","0.1247","0.0855","","","0.2399","0.2649","","","","","","1.011","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569614","10.482","0.0006","36.766","0.002","11.9467","0.0007","90","","112.166","0.002","90","","4263.8","0.4","173","2","172.97","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C88 H123 Al3 N6 O0 S Y2 -","- C88 H123 Al3 N6 S Y2 -","- C176 H246 Al6 N12 S2 Y4 -","2","0.5","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","1.34139","GaKα","","0.0621","0.0528","","","0.1444","0.1515","","","","","","1.066","","","","has coordinates,has disorder","286069","2023-09-05","19:21:40",""
"1569615","12.1633","0.0005","18.7824","0.0006","22.3511","0.0008","105.924","0.002","103.097","0.002","102.186","0.002","4574.5","0.3","173","2","173.01","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H124 Al N8 Y2 -","- C104 H124 Al N8 Y2 -","- C208 H248 Al2 N16 Y4 -","2","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","1.34138","GaKα","","0.0987","0.0565","","","0.1303","0.1529","","","","","","0.996","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569616","14.4625","0.0001","15.6058","0.0001","17.0684","0.0001","90","","112.524","0.001","90","","3558.46","0.05","100.15","","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 N O2 -","- C19 H26 N O2 -","- C152 H208 N8 O16 -","8","1","","Lu, Yi; Sugita, Hajime; Mikami, Koichiro; Aoki, Daisuke; Otsuka, Hideyuki","A rational design strategy of radical-type mechanophores with thermal tolerance.","Chemical science","2023","14","33","8792","8797","10.1039/d3sc02991c","","x-ray","1.54184","CuKα","","0.0386","0.0374","","","0.0948","0.0958","","","","","","1.035","","","","has coordinates","286047","2023-09-05","19:10:43",""
"1569648","25.93","0.06","13.52","0.03","30.86","0.07","90","","106.94","0.06","90","","10349","4","173","2","173.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H112 Bi4 N2 O10 -","- C90 H112 Bi4 N2 O10 -","- C360 H448 Bi16 N8 O40 -","4","1","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","x-ray","0.71073","MoKα","K-L~3~","0.0749","0.0478","","","0.1112","0.1235","","","","","","1.014","","","","has coordinates","286048","2023-09-05","19:11:51",""
"1569649","16.57","0.004","17.36","0.004","19.896","0.005","67.924","0.011","78.114","0.012","83.852","0.011","5187","2","173","2","173.02","","","","","","","","","5","P -1","-P 1","2","","","","- C93 H121 Bi4 N2 O13 -","- C93 H121 Bi4 N2 O13 -","- C186 H242 Bi8 N4 O26 -","2","1","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","x-ray","1.54178","CuKα","K-L~3~","0.069","0.0581","","","0.1356","0.1447","","","","","","1.076","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569650","22.561","0.0004","22.561","0.0004","80.946","0.004","90","","90","","90","","41201","2","173","2","173.02","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C176 H208 Al Bi8 O22 -","- C176 H208 Al Bi8 O22 -","- C1408 H1664 Al8 Bi64 O176 -","8","0.5","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","x-ray","0.71073","MoKα","K-L~3~","0.101","0.0544","","","0.1166","0.1343","","","","","","1.022","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569651","35.3979","0.0008","35.3979","0.0008","67.034","0.003","90","","90","","90","","83994","5","290","2","290.56","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C352 H416 Bi24 O59 -","- C352 H416 Bi24 O59 -","- C2816 H3328 Bi192 O472 -","8","0.25","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","","1.54178","CuKα","","0.0895","0.0566","","","0.1608","0.1886","","","","","","1.043","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569652","22.208","0.002","37.888","0.004","44.949","0.004","90","","100.421","0.004","90","","37197","6","290.56","","290.56","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C264 H312 Bi20 N O47 -","- C264 H312 Bi20 N O47 -","- C1056 H1248 Bi80 N4 O188 -","4","1","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","","1.54178","CuKα","","0.074","0.0638","","","0.1712","0.1794","","","","","","1.021","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569653","22.5724","0.0015","23.0297","0.0014","36.361","0.002","92.631","0.004","103.905","0.004","115.578","0.003","16306.2","1.8","173","2","173.02","","","","","","","","","6","P -1","-P 1","2","","","","- C538 H654 Bi40 Mo2 N6 O98 -","- C538 H654 Bi40 Mo2 N6 O98 -","- C538 H654 Bi40 Mo2 N6 O98 -","1","0.5","","Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin","Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction.","Chemical science","2023","14","33","8962","8969","10.1039/d3sc02924g","","","1.54178","CuKα","","0.1633","0.0895","","","0.2026","0.2364","","","","","","1.025","","","","has coordinates","286048","2023-09-05","19:11:52",""
"1569654","8.2271","0.0005","10.3968","0.0007","21.4304","0.0011","90","","96.909","0.006","90","","1819.75","0.19","113.15","","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H21 B Cl F2 N -","- C19 H21 B Cl F2 N -","- C76 H84 B4 Cl4 F8 N4 -","4","2","","Zou, Hui-Na; Huang, Meng-Lin; Huang, Ming-Yao; Su, Yu-Xuan; Zhang, Jing-Wei; Zhang, Xin-Yu; Zhu, Shou-Fei","Chiral <i>gem</i>-difluoroalkyl reagents: <i>gem</i>-difluoroalkyl propargylic borons and <i>gem</i>-difluoroalkyl α-allenols.","Chemical science","2023","14","34","9186","9190","10.1039/d3sc03266c","","x-ray","0.71073","MoKα","","0.1428","0.0677","","","0.1228","0.1648","","","","","","1.024","","","","has coordinates","286070","2023-09-05","19:21:48",""
"1569660","8.3288","0.0002","22.8188","0.0008","10.9506","0.0003","90","","90.53","0.002","90","","2081.11","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N2 O2 S -","- C20 H27 Br N2 O2 S -","- C80 H108 Br4 N8 O8 S4 -","4","2","","Zhang, Dongjie; Fan, Junjie; Shi, Yaqi; Huang, Yankai; Fu, Chunling; Wu, Xiaoyan; Ma, Shengming","Copper-catalyzed propargylic C-H functionalization for allene syntheses.","Chemical science","2023","14","34","9191","9196","10.1039/d3sc01501g","","","0.71073","MoKα","","0.0912","0.0488","","","0.0948","0.112","","","","","","1.011","","","","has coordinates","286073","2023-09-05","19:22:21",""
"1569664","5.80631","0.00011","7.77611","0.00012","31.5189","0.0006","90","","90","","90","","1423.09","0.04","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Borrel, Julien; Waser, Jerome","Azido-alkynylation of alkenes through radical-polar crossover.","Chemical science","2023","14","35","9452","9460","10.1039/d3sc03309k","","x-ray","1.54184","CuKα","","0.0318","0.0297","","","0.077","0.0782","","","","","","1.034","","","","has coordinates","286720","2023-10-05","23:53:25",""
"1569665","43.729","0.002","9.4992","0.0004","7.5184","0.0003","90","","90","","90","","3123.1","0.2","140","0.1","140","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","N-(4-(1-Azido-4-phenylbut-3-yn-2-yl)phenyl)acetamide","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C144 H128 N32 O8 -","8","1","","Borrel, Julien; Waser, Jerome","Azido-alkynylation of alkenes through radical-polar crossover.","Chemical science","2023","14","35","9452","9460","10.1039/d3sc03309k","","x-ray","1.54184","CuKα","","0.0855","0.0552","","","0.1309","0.146","","","","","","1.041","","","","has coordinates,has disorder","286720","2023-10-05","23:53:25",""
"1569666","7.7964","0.0006","11.2004","0.0008","20.4101","0.0014","85.406","0.002","89.714","0.002","82.273","0.002","1760.4","0.2","110","","110","","","","","","","","","9","P -1","-P 1","2","","FeNiFe","","- C22 H42 B2 F8 Fe2 N8 Ni O2 S4 -","- C22 H42 B2 F8 Fe2 N8 Ni O2 S4 -","- C44 H84 B4 F16 Fe4 N16 Ni2 O4 S8 -","2","1","","Quiroz, Manuel; Lockart, Molly M.; Xue, Shan; Jones, Dakota; Guo, Yisong; Pierce, Brad S.; Dunbar, Kim R.; Hall, Michael B.; Darensbourg, Marcetta Y.","Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> tetrathiolate bridges.","Chemical science","2023","14","34","9167","9174","10.1039/d3sc01546g","","","0.71073","MoKα","","0.0906","0.0675","","","0.1588","0.1709","","","","","","1.139","","","","has coordinates","286078","2023-09-05","19:23:42",""
"1569667","7.9001","0.001","11.192","0.0013","20.377","0.002","85.43","0.003","89.241","0.003","82.767","0.002","1781.7","0.4","120","","120","","","","","","","","","9","P -1","-P 1","2","","FePtFe","","- C22 H42 B2 F8 Fe2 N8 O2 Pt S4 -","- C22 H42 B2 F8 Fe2 N8 O2 Pt S4 -","- C44 H84 B4 F16 Fe4 N16 O4 Pt2 S8 -","2","1","","Quiroz, Manuel; Lockart, Molly M.; Xue, Shan; Jones, Dakota; Guo, Yisong; Pierce, Brad S.; Dunbar, Kim R.; Hall, Michael B.; Darensbourg, Marcetta Y.","Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> tetrathiolate bridges.","Chemical science","2023","14","34","9167","9174","10.1039/d3sc01546g","","","0.71073","MoKα","","0.0439","0.0355","","","0.0781","0.0806","","","","","","1.024","","","","has coordinates","286078","2023-09-05","19:23:42",""
"1569668","7.8814","0.0004","11.2","0.0005","20.5038","0.0009","85.329","0.001","89.194","0.001","82.402","0.001","1788.05","0.14","110","","110","","","","","","","","","9","P -1","-P 1","2","","FePdFe","","- C22 H42 B2 F8 Fe2 N8 O2 Pd S4 -","- C22 H42 B2 F8 Fe2 N8 O2 Pd S4 -","- C44 H84 B4 F16 Fe4 N16 O4 Pd2 S8 -","2","1","","Quiroz, Manuel; Lockart, Molly M.; Xue, Shan; Jones, Dakota; Guo, Yisong; Pierce, Brad S.; Dunbar, Kim R.; Hall, Michael B.; Darensbourg, Marcetta Y.","Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic Ni<sup>II</sup>, Pd<sup>II</sup> and Pt<sup>II</sup> tetrathiolate bridges.","Chemical science","2023","14","34","9167","9174","10.1039/d3sc01546g","","","0.71073","MoKα","","0.0529","0.0422","","","0.1079","0.1219","","","","","","1.172","","","","has coordinates","286078","2023-09-05","19:23:42",""
"1569672","30.937","0.0002","30.937","0.0002","31.2314","0.0003","90","","90","","90","","29891.5","0.4","200","","200","","","","","","","","","5","I 4/m","-I 4","87","","","","- C224 H96 N8 O144 Ru24 -","- C224 H72 N8 O144 Ru24 -","- C448 H144 N16 O288 Ru48 -","2","0.125","","Troyano, Javier; Tayier, Fuerkaiti; Phattharaphuti, Phitchayapha; Aoyama, Takuma; Urayama, Kenji; Furukawa, Shuhei","Porous supramolecular gels produced by reversible self-gelation of ruthenium-based metal-organic polyhedra.","Chemical science","2023","14","35","9543","9552","10.1039/d3sc02888g","","x-ray","0.71073","MoKα","","0.0624","0.0505","","","0.1402","0.1533","","","","","","1.009","","","","has coordinates","286718","2023-10-05","23:53:06",""
"1569673","12.337","0.003","32.664","0.007","12.964","0.003","90","","93.65","0.03","90","","5214","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42.55 H39.8 Br0.35 Mn1.85 N6 O8.05 -","- C42.55 H39.8 Br0.35 Mn1.85 N6 O8.05 -","- C170.2 H159.2 Br1.4 Mn7.4 N24 O32.2 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.137","0.1105","","","0.3109","0.3311","","","","","","1.039","","","","has coordinates,has disorder","286717","2023-10-05","23:52:54",""
"1569674","12.338","0.003","32.702","0.007","13.01","0.003","90","","93.82","0.03","90","","5238","2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C44.375 H46.6 Br0.35 Mn1.85 N6 O7.775 -","- C177.5 H186.4 Br1.4 Mn7.4 N24 O31.1 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1433","0.108","","","0.3106","0.338","","","","","","1.24","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569675","12.344","0.003","32.785","0.007","12.996","0.003","90","","93.93","0.03","90","","5247","2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43.5 H43.8 Br0.35 Mn1.85 N6 O7.95 -","- C43.55 H43.8 Br0.35 Mn1.85 N6 O8 -","- C174.2 H175.2 Br1.4 Mn7.4 N24 O32 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1506","0.1136","","","0.3302","0.3554","","","","","","1.289","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569676","12.338","0.003","32.702","0.007","13.01","0.003","90","","93.82","0.03","90","","5238","2","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C177.2 H186.4 Br1.4 Mn7.4 N24 O30.8 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1519","0.1137","","","0.3233","0.3543","","","","","","1.293","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569677","12.338","0.003","32.702","0.007","13.01","0.003","90","","93.82","0.03","90","","5238","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44.3 H43.6 Br0.35 Mn1.85 N6 O7.7 -","- C44.3 H46.6 Br0.35 Mn1.85 N6 O7.7 -","- C177.2 H186.4 Br1.4 Mn7.4 N24 O30.8 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.71073","Synchrotron","","0.1378","0.1121","","","0.3294","0.3533","","","","","","1.404","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569678","12.4279","0.0011","33.146","0.003","12.9816","0.0013","90","","95.071","0.008","90","","5326.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42.75 H40.5 Br0.5 Mn2 N8.5 O6.25 -","- C43 H40.5 Br0.5 Mn2 N8.5 O6.5 -","- C172 H162 Br2 Mn8 N34 O26 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.6889","Synchrotron","","0.3346","0.1303","","","0.3507","0.3995","","","","","","0.907","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569679","12.4134","0.0013","33.362","0.004","12.9953","0.0013","90","","95.565","0.009","90","","5356.5","1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C42 H35.75 Br0.5 Mn2 N7.5 O7.5 -","- C42 H37.25 Br0.375 Mn2 N7.5 O7.5 -","- C168 H149 Br1.5 Mn8 N30 O30 -","4","1","","Young, Rosemary J.; Huxley, Michael T.; Wu, Lingjun; Hart, Jack; O'Shea, James; Doonan, Christian J.; Champness, Neil R.; Sumby, Christopher J.","Studying manganese carbonyl photochemistry in a permanently porous metal-organic framework.","Chemical science","2023","14","35","9409","9417","10.1039/d3sc03553k","","","0.6889","Synchrotron","","0.2576","0.1209","","","0.3187","0.353","","","","","","0.878","","","","has coordinates,has disorder","286717","2023-10-05","23:52:55",""
"1569684","21.5986","0.0012","10.9746","0.0006","7.7065","0.0004","90","","93.459","0.003","90","","1823.39","0.17","120","2","120","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N -","- C12 H11 N -","- C96 H88 N8 -","8","2","","Lončarić, Doroteja; Movahedifar, Fahimeh; Štoček, Jakub Radek; Dračínský, Martin; Cvačka, Josef; Guan, Shanshan; Bythell, Benjamin J.; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.","Chemical science","2023","14","35","9258","9266","10.1039/d3sc02032k","","","1.54178","CuKα","","0.1405","0.1129","","","0.3267","0.3468","","","","","","1.087","","","","has coordinates","286722","2023-10-05","23:53:41",""
"1569685","13.0447","0.001","8.5595","0.0006","11.9652","0.0008","90","","112.44","0.002","90","","1234.83","0.15","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 I N -","- C13 H14 I N -","- C52 H56 I4 N4 -","4","1","","Lončarić, Doroteja; Movahedifar, Fahimeh; Štoček, Jakub Radek; Dračínský, Martin; Cvačka, Josef; Guan, Shanshan; Bythell, Benjamin J.; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.","Chemical science","2023","14","35","9258","9266","10.1039/d3sc02032k","","","0.71073","MoKα","","0.0604","0.0558","","","0.1154","0.1169","","","","","","1.404","","","","has coordinates","286722","2023-10-05","23:53:41",""
"1569686","18.5283","0.0004","9.7746","0.0002","20.5","0.0004","90","","98.901","0.001","90","","3667.98","0.13","120","2","120","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl N O0.5 -","- C22 H27 Cl N O0.5 -","- C176 H216 Cl8 N8 O4 -","8","2","","Lončarić, Doroteja; Movahedifar, Fahimeh; Štoček, Jakub Radek; Dračínský, Martin; Cvačka, Josef; Guan, Shanshan; Bythell, Benjamin J.; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.","Chemical science","2023","14","35","9258","9266","10.1039/d3sc02032k","","","1.54178","CuKα","","0.0308","0.0296","","","0.0786","0.0797","","","","","","1.058","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1569687","10.1283","0.0006","15.0534","0.0008","15.6108","0.0009","105.878","0.002","105.252","0.002","108.949","0.002","1996.7","0.2","120","2","120","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C23 H29.5 Cl N1.5 O -","- C23 H29.5 Cl N1.5 O -","- C92 H118 Cl4 N6 O4 -","4","2","","Lončarić, Doroteja; Movahedifar, Fahimeh; Štoček, Jakub Radek; Dračínský, Martin; Cvačka, Josef; Guan, Shanshan; Bythell, Benjamin J.; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers.","Chemical science","2023","14","35","9258","9266","10.1039/d3sc02032k","","","0.71073","MoKα","","0.0336","0.0325","","","0.089","0.0901","","","","","","1.043","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1569688","19.7947","0.0003","19.7947","0.0003","16.0477","0.0003","90","","90","","90","","6287.97","0.18","200","2","200","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C56 H40 Fe2 N24 O4 W -","- C56 H40 Fe2 N24 O4 W -","- C224 H160 Fe8 N96 O16 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.023","0.0201","","","0.0523","0.0535","","","","","","1.095","","","","has coordinates","286711","2023-10-05","23:51:34",""
"1569689","18.8695","0.0004","18.8695","0.0004","15.4503","0.0005","90","","90","","90","","5501.2","0.2","80","2","80","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H32 Fe2 N24 W -","- C56 H32 Fe2 N24 W -","- C224 H128 Fe8 N96 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.0378","0.034","","","0.0665","0.0674","","","","","","1.114","","","","has coordinates","286711","2023-10-05","23:51:35",""
"1569690","19.1966","0.0004","19.1966","0.0004","15.8129","0.0005","90","","90","","90","","5827.2","0.3","200","2","200","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H32 Fe2 N24 W -","- C56 H32 Fe2 N24 W -","- C224 H128 Fe8 N96 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.0437","0.0393","","","0.0734","0.0747","","","","","","1.136","","","","has coordinates","286711","2023-10-05","23:51:35",""
"1569691","19.1481","0.0004","19.1481","0.0004","15.7535","0.0006","90","","90","","90","","5776","0.3","140","2","140","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H32 Fe2 N24 W -","- C56 H32 Fe2 N24 W -","- C224 H128 Fe8 N96 W4 -","4","0.25","","Magott, Michał; Płonka, Klaudia; Sieklucka, Barbara; Dziedzic-Kocurek, Katarzyna; Kosaka, Wataru; Miyasaka, Hitoshi; Pinkowicz, Dawid","Guest-induced pore breathing controls the spin state in a cyanido-bridged framework.","Chemical science","2023","14","36","9651","9663","10.1039/d3sc03255h","","","0.71073","MoKα","","0.0415","0.0382","","","0.0779","0.0788","","","","","","1.157","","","","has coordinates","286711","2023-10-05","23:51:35",""
"1569692","10.581","0.0003","12.0311","0.0003","20.7727","0.0005","90","","90","","90","","2644.39","0.12","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 F3 N4 O2 -","- C31 H23 F3 N4 O2 -","- C124 H92 F12 N16 O8 -","4","1","","Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu","Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.","Chemical science","2023","14","35","9496","9502","10.1039/d3sc02705h","","","1.54178","CuKα","","0.0379","0.033","","","0.0834","0.0889","","","","","","1.033","","","","has coordinates","286719","2023-10-05","23:53:17",""
"1569693","10.5678","0.0002","11.8802","0.0003","21.0636","0.0004","90","","90","","90","","2644.48","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 F3 N4 O2 -","- C31 H27 F3 N4 O2 -","- C124 H108 F12 N16 O8 -","4","1","","Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu","Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.","Chemical science","2023","14","35","9496","9502","10.1039/d3sc02705h","","","1.54178","CuKα","","0.032","0.0293","","","0.0738","0.0759","","","","","","1.036","","","","has coordinates","286719","2023-10-05","23:53:17",""
"1569694","11.977","0.005","11.977","","42.045","0.013","90","","90","","90","","6031","3","173","2","173","2","","","","","","","","4","P 43","P 4cw","78","","","","- C36 H34 N4 O3 -","- C36 H34 N4 O3 -","- C288 H272 N32 O24 -","8","2","","Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu","Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.","Chemical science","2023","14","35","9496","9502","10.1039/d3sc02705h","","","1.54178","CuKα","","0.0656","0.0488","","","0.1268","0.1399","","","","","","1.029","","","","has coordinates","286719","2023-10-05","23:53:17",""
"1569697","9.0318","0.0005","12.2358","0.0006","13.0518","0.0007","90","","90","","90","","1442.37","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cd I4 N2 -","- C4 H12 Cd I4 N2 -","- C16 H48 Cd4 I16 N8 -","4","1","","Wu, Huai-Yu; Hu, Chun-Li; Xu, Miao-Bin; Chen, Qian-Qian; Ma, Nan; Huang, Xiao-Ying; Du, Ke-Zhao; Chen, Jin","From H<sub>12</sub>C<sub>4</sub>N<sub>2</sub>CdI<sub>4</sub> to H<sub>11</sub>C<sub>4</sub>N<sub>2</sub>CdI<sub>3</sub>: a highly polarizable CdNI<sub>3</sub> tetrahedron induced a sharp enhancement of second harmonic generation response and birefringence.","Chemical science","2023","14","35","9533","9542","10.1039/d3sc03052k","","x-ray","0.71073","MoKα","","0.0461","0.0408","","","0.085","0.0883","","","","","","1.047","","","","has coordinates","286721","2023-10-05","23:53:32",""
"1569698","14.368","0.0006","7.1349","0.0001","13.7778","0.0005","90","","121.298","0.005","90","","1206.88","0.09","109","3","109","3","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H11 Cd I3 N2 -","- C4 H11 Cd I3 N2 -","- C16 H44 Cd4 I12 N8 -","4","1","","Wu, Huai-Yu; Hu, Chun-Li; Xu, Miao-Bin; Chen, Qian-Qian; Ma, Nan; Huang, Xiao-Ying; Du, Ke-Zhao; Chen, Jin","From H<sub>12</sub>C<sub>4</sub>N<sub>2</sub>CdI<sub>4</sub> to H<sub>11</sub>C<sub>4</sub>N<sub>2</sub>CdI<sub>3</sub>: a highly polarizable CdNI<sub>3</sub> tetrahedron induced a sharp enhancement of second harmonic generation response and birefringence.","Chemical science","2023","14","35","9533","9542","10.1039/d3sc03052k","","x-ray","1.54184","CuKα","","0.0425","0.0424","","","0.1041","0.1043","","","","","","1.061","","","","has coordinates","286721","2023-10-05","23:53:32",""
"1569699","8.7095","0.0004","8.6086","0.0004","19.3283","0.0008","90","","93.799","0.002","90","","1445.99","0.11","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0907","0.0576","","","0.1263","0.1457","","","","","","1.001","","","","has coordinates","286716","2023-10-05","23:52:31",""
"1569700","7.3855","0.0018","10.729","0.003","12.101","0.004","65.688","0.01","78.414","0.011","71.301","0.009","825.1","0.4","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C40 H36 O10 -","2","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0884","0.0677","","","0.1592","0.1743","","","","","","1.036","","","","has coordinates,has disorder","286716","2023-10-05","23:52:32",""
"1569701","9.0013","0.0018","16.186","0.003","21.094","0.004","90","","90","","90","","3073.3","1","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0959","0.0667","","","0.156","0.1741","","","","","","1.049","","","","has coordinates,has disorder","286716","2023-10-05","23:52:32",""
"1569702","10.4074","0.0006","18.1894","0.001","9.8502","0.0006","90","","100.929","0.002","90","","1830.87","0.18","101","2","101","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","x-ray","0.71073","MoKα","","0.0649","0.0548","","","0.1341","0.1431","","","","","","1.052","","","","has coordinates","286716","2023-10-05","23:52:32",""
"1569703","10.583","0.008","7.649","0.006","20.107","0.014","90","","104.03","0.02","90","","1579","2","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.1618","0.0893","","","0.2088","0.2582","","","","","","1.008","","","","has coordinates","286716","2023-10-05","23:52:32",""
"1569704","9.538","0.002","10.289","0.002","16.613","0.004","90","","94.677","0.01","90","","1624.9","0.6","139","2","139","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0856","0.0604","","","0.1283","0.1416","","","","","","1.038","","","","has coordinates","286716","2023-10-05","23:52:32",""
"1569705","3.9804","0.0001","11.8021","0.0004","12.6373","0.0004","103.661","0.001","96.063","0.001","98.357","0.001","564.66","0.03","293","2","293","","","","","","","","","4","P -1","-P 1","2","","thianthreno[2,3-c][1,2,5]thiadiazole","","- C12 H6 N2 S3 -","- C12 H6 N2 S3 -","- C24 H12 N4 S6 -","2","1","","Zhao, Shuaiqiang; Yang, Zhiqiang; Zhang, Xiangyu; Liu, Haichao; Lv, Yingbo; Wang, Shiyin; Yang, Zhongzhao; Zhang, Shi-Tong; Yang, Bing","A functional unit combination strategy for enhancing red room-temperature phosphorescence.","Chemical science","2023","14","36","9733","9743","10.1039/d3sc03668e","","","0.71073","MoKα","","0.032","0.0305","","","0.0788","0.0805","","","","","","1.098","","","","has coordinates","286710","2023-10-05","23:51:21",""
"1569706","14.4489","0.001","3.8802","0.0002","18.6217","0.0013","90","","93.458","0.003","90","","1042.12","0.12","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","phenoxathiino[2,3-c][1,2,5]thiadiazole","","- C12 H6 N2 O S2 -","- C12 H6 N2 O S2 -","- C48 H24 N8 O4 S8 -","4","1","","Zhao, Shuaiqiang; Yang, Zhiqiang; Zhang, Xiangyu; Liu, Haichao; Lv, Yingbo; Wang, Shiyin; Yang, Zhongzhao; Zhang, Shi-Tong; Yang, Bing","A functional unit combination strategy for enhancing red room-temperature phosphorescence.","Chemical science","2023","14","36","9733","9743","10.1039/d3sc03668e","","","0.71073","MoKα","","0.0651","0.0414","","","0.092","0.1034","","","","","","1.035","","","","has coordinates","286710","2023-10-05","23:51:21",""
"1569707","22.528","0.003","3.9061","0.0004","22.895","0.003","90","","96.977","0.01","90","","1999.8","0.4","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","benzo[5',6'][1,4]dioxino[2',3':4,5]benzo[1,2-c][1,2,5]thiadiazole","","- C12 H6 N2 O2 S -","- C12 H6 N2 O2 S -","- C96 H48 N16 O16 S8 -","8","1","","Zhao, Shuaiqiang; Yang, Zhiqiang; Zhang, Xiangyu; Liu, Haichao; Lv, Yingbo; Wang, Shiyin; Yang, Zhongzhao; Zhang, Shi-Tong; Yang, Bing","A functional unit combination strategy for enhancing red room-temperature phosphorescence.","Chemical science","2023","14","36","9733","9743","10.1039/d3sc03668e","","","0.71073","MoKα","","0.1256","0.0836","","","0.2054","0.2194","","","","","","1.098","","","","has coordinates","286710","2023-10-05","23:51:21",""
"1569708","8.0594","0.0003","8.1066","0.0002","9.6165","0.0003","101.514","0.002","91.816","0.003","90.723","0.002","615.22","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","BDAAGSBBR8","","- C8 H28 Ag Br8 N4 Sb -","- C8 H28 Ag Br8 N4 Sb -","- C8 H28 Ag Br8 N4 Sb -","1","0.5","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0723","0.0628","","","0.1463","0.1529","","","","","","1.058","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569709","8.1086","0.0002","13.3832","0.0004","14.4748","0.0003","90","","90","","90","","1570.79","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 Br5 N2 Sb -","- C6 H18 Br5 N2 Sb -","- C24 H72 Br20 N8 Sb4 -","4","1","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0759","0.0582","","","0.1161","0.1217","","","","","","1.037","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569710","7.9577","0.0003","8.2842","0.0004","11.9964","0.0007","72.473","0.005","82.03","0.004","89.433","0.004","746.42","0.07","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ag0.5 Bi0.5 Br4 N2 -","- C6 H18 Ag0.5 Bi0.5 Br4 N2 -","- C12 H36 Ag Bi Br8 N4 -","2","1","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0977","0.0877","","","0.2169","0.2209","","","","","","1.161","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569711","8.1078","0.0002","8.2497","0.0002","9.687","0.0002","101.157","0.002","92.086","0.002","90.386","0.002","635.2","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","BDA2AgBiBr8","","- C8 H28 Ag Bi Br8 N4 -","- C8 H28 Ag Bi Br8 N4 -","- C8 H28 Ag Bi Br8 N4 -","1","0.5","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0819","0.0698","","","0.1984","0.2106","","","","","","1.042","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569712","5.2057","0.0001","20.7249","0.0005","12.8023","0.0003","90","","99.7432","0.0015","90","","1361.29","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","2","","Kitcatt, David M.; Scott, Katie A.; Rongione, Elena; Nicolle, Simon; Lee, Ai-Lan","Direct decarboxylative Giese amidations: photocatalytic <i>vs.</i> metal- and light-free.","Chemical science","2023","14","36","9806","9813","10.1039/d3sc03143h","","","1.54178","CuKα","","0.205","0.1991","","","0.5464","0.5539","","","","","","1.026","","","","has coordinates","286712","2023-10-05","23:51:42",""
"1569713","16.0468","0.0004","16.0468","0.0004","9.8253","0.0003","90","","90","","120","","2191.06","0.1","120","2","120","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","[Ru(5-oxido-6-hydroxy-1,10-phenanthroline)(5,6-dihydroxy1,10-phenanthroline)2] chloride","","- C36 H23 Cl N6 O12 Ru -","- C36 H23.0001 Cl N6 O12 Ru -","- C72 H46.0002 Cl2 N12 O24 Ru2 -","2","0.333333","","Gupta, Deepak; Chanteux, Géraldine; Kumar, Gulshan; Robeyns, Koen; Vlad, Alexandru","Modular metallotecton for engineering permanently porous frameworks: supernumerary role of ancillary ion.","Chemical science","2023","14","36","9780","9786","10.1039/d3sc02068a","","","0.71073","MoKα","","0.0635","0.0613","","","0.1505","0.152","","","","","","1.087","","","","has coordinates","286714","2023-10-05","23:51:58",""
"1569714","13.2103","0.0017","12.687","0.002","25.365","0.004","90","","99.389","0.014","90","","4194.2","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Lithium [Ru(II)(1,10-phenanthroline-5,6-semiquinone)3]","","- C45 H39 Li N9 O9 Ru -","- C45 H39 Li N9 O9 Ru -","- C180 H156 Li4 N36 O36 Ru4 -","4","1","","Gupta, Deepak; Chanteux, Géraldine; Kumar, Gulshan; Robeyns, Koen; Vlad, Alexandru","Modular metallotecton for engineering permanently porous frameworks: supernumerary role of ancillary ion.","Chemical science","2023","14","36","9780","9786","10.1039/d3sc02068a","","","0.71073","MoKα","","0.202","0.121","","","0.2421","0.2834","","","","","","1.068","","","","has coordinates","286714","2023-10-05","23:51:59",""
"1569715","9.5706","0.0005","27.2115","0.0013","16.1676","0.001","90","","90.702","0.005","90","","4210.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ru(5-oxido-6-hydroxy-1,10-phenanthroline)(5,6-dihydroxy1,10-phenanthroline)2] Bromide","","- C36 H23 Br N6 O8 Ru -","- C36 H23 Br N6 O8 Ru -","- C144 H92 Br4 N24 O32 Ru4 -","4","1","","Gupta, Deepak; Chanteux, Géraldine; Kumar, Gulshan; Robeyns, Koen; Vlad, Alexandru","Modular metallotecton for engineering permanently porous frameworks: supernumerary role of ancillary ion.","Chemical science","2023","14","36","9780","9786","10.1039/d3sc02068a","","","0.71073","MoKα","","0.1254","0.0717","","","0.1709","0.199","","","","","","1.023","","","","has coordinates,has disorder","286714","2023-10-05","23:51:59",""
"1569716","25.843","0.0019","11.7629","0.0008","22.1155","0.0017","90","","114.085","0.003","90","","6137.6","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Br, C34 H26 P, C2 H6 O, C2 H6 O, H2 O","","- C74 H74 Br2 O5 P2 -","- C74 H74 Br2 O5 P2 -","- C296 H296 Br8 O20 P8 -","4","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0678","0.0559","","","0.1604","0.1709","","","","","","1.07","","","","has coordinates","287327","2023-11-06","07:07:51",""
"1569717","12.23","0.002","12.471","0.003","19.36","0.005","90","","90","","90","","2952.8","1.1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Cl3 P -","- C35 H28 Cl3 P -","- C140 H112 Cl12 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1147","0.085","","","0.1952","0.211","","","","","","1.074","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569718","11.0759","0.0008","11.4222","0.0008","27.0428","0.0017","90","","90","","90","","3421.2","0.4","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 B Cl2 F4 O2 P -","- C35 H32 B Cl2 F4 O2 P -","- C140 H128 B4 Cl8 F16 O8 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1029","0.0892","","","0.2507","0.2667","","","","","","1.13","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569719","12.2","0.004","12.614","0.003","19.437","0.005","90","","90","","90","","2991.2","1.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Cl3 P -","- C35 H28 Cl3 P -","- C140 H112 Cl12 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0837","0.0587","","","0.1536","0.1693","","","","","","1.063","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569720","11.0745","0.0007","11.4366","0.0008","27.0879","0.0017","90","","90","","90","","3430.8","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 B F4 P -","- C34 H26 B F4 P -","- C136 H104 B4 F16 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0892","0.0583","","","0.1327","0.1448","","","","","","0.949","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569721","8.6233","0.0014","18.799","0.003","19.623","0.003","113.171","0.005","95.078","0.006","93.304","0.005","2898.1","0.8","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 Cl6 Mn2 O10 P2 -","- C58 H50 Cl6 Mn2 O10 P2 -","- C116 H100 Cl12 Mn4 O20 P4 -","2","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1052","0.0738","","","0.2056","0.2322","","","","","","1.128","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569722","29.9808","0.0017","23.9647","0.0012","32.511","0.003","90","","116.312","0.002","90","","20938","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C208 H184 B4 F16 P4 -","- C208 H184 B4 F16 P4 -","- C832 H736 B16 F64 P16 -","4","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","1.34139","GaKα","","0.1274","0.0981","","","0.2467","0.2618","","","","","","1.013","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569723","11.7291","0.0011","21.4215","0.0019","19.3277","0.0019","90","","106.219","0.004","90","","4662.9","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H38 Cl4 Mn O9 P2 -","- C52 H38 Cl4 Mn O9 P2 -","- C208 H152 Cl16 Mn4 O36 P8 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0525","0.0438","","","0.1069","0.1123","","","","","","1.052","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569724","12.28","0.004","12.55","0.004","19.659","0.006","90","","90","","90","","3029.7","1.7","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Br Cl2 P -","- C35 H28 Br Cl2 P -","- C140 H112 Br4 Cl8 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0451","0.0427","","","0.1165","0.1194","","","","","","1.058","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569725","32.764","0.003","8.5089","0.0008","19.653","0.002","90","","118.644","0.006","90","","4808.4","0.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H56 P2 -","- C64 H56 P2 -","- C256 H224 P8 -","4","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1063","0.0632","","","0.1654","0.1979","","","","","","0.99","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569726","11.3669","0.0007","11.7224","0.0007","18.4484","0.0012","90","","92.265","0.002","90","","2456.3","0.3","193","2","193.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 B F4 P -","- C32 H22 B F4 P -","- C128 H88 B4 F16 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0562","0.0469","","","0.1224","0.13","","","","","","1.028","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569727","9.2214","0.0009","13.2109","0.0012","18.8909","0.0016","95.7","0.003","99.414","0.003","101.148","0.004","2207","0.4","200","2","200","2","","","","","","","","4","P 1","P 1","1","","(6,6'-bis(4-methoxyphenyl)-[1,1'-binaphthalene]-2,2'-diyl)bis(diphenylphosphane)","","- C58 H44 O2 P2 -","- C58 H44 O2 P2 -","- C116 H88 O4 P4 -","2","2","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0556","0.0461","","","0.1212","0.1313","","","","","","1.035","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569728","11.8054","0.0004","11.5114","0.0004","19.2346","0.0007","90","","93.387","0.001","90","","2609.35","0.16","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F6 P2 -","- C32 H22 F6 P2 -","- C128 H88 F24 P8 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1001","0.0774","","","0.214","0.2335","","","","","","1.063","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569729","8.1589","0.0006","13.3454","0.0011","20.1127","0.0015","105.202","0.003","99.249","0.003","92.305","0.004","2078","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H40 P2 -","- C56 H40 P2 -","- C112 H80 P4 -","2","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0629","0.0486","","","0.1513","0.1723","","","","","","1.121","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569730","11.5658","0.0005","14.0383","0.0007","12.2223","0.0006","90","","116.441","0.001","90","","1776.88","0.15","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H34 B F4 O2 P -","- C46 H34 B F4 O2 P -","- C92 H68 B2 F8 O4 P2 -","2","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0851","0.0503","","","0.1125","0.1389","","","","","","1.051","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569731","13.5549","0.0015","18.4613","0.0018","8.6468","0.0009","90","","90","","90","","2163.8","0.4","296","2","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C58 H44 P2 -","- C58 H44 P2 -","- C116 H88 P4 -","2","0.5","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0873","0.0598","","","0.147","0.1638","","","","","","1.027","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569732","12.2007","0.0007","18.1269","0.0012","20.8115","0.0011","90","","90","","90","","4602.7","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C59 H46 Cl2 P2 -","- C59 H46 Cl2 P2 -","- C236 H184 Cl8 P8 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1395","0.0676","","","0.1655","0.2259","","","","","","1.063","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569740","10.9182","0.0002","22.7514","0.0005","11.4864","0.0003","90","","101.588","0.002","90","","2795.11","0.11","150","0.2","150","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 F4 I2 N4 O -","- C25 H32 F4 I2 N4 O -","- C100 H128 F16 I8 N16 O4 -","4","1","","Huang, Shiwen; Zheng, Jianlin; Jiang, Zihao; Liu, Jiaxiong; Liu, Yiliu","Exploring the supramolecular chemistry of cyclopropeniums: halogen-bonding-induced electrostatic assembly of polymers.","Chemical science","2023","14","36","9820","9826","10.1039/d3sc03086e","","x-ray","1.54184","CuKα","","0.0745","0.0642","","","0.1662","0.1788","","","","","","1.05","","","","has coordinates","286713","2023-10-05","23:51:49",""
"1569741","8.3614","0.0001","8.3614","0.0001","18.0048","0.0006","90","","90","","90","","1258.77","0.05","150","","150","","","","","","","","","4","I -4","I -4","82","","","","- C28 H22 Fe N8 -","- C28 H22 Fe N8 -","- C56 H44 Fe2 N16 -","2","0.25","","Johnson, Catherine Ellen; Schwarz, Jesper; Deegbey, Mawuli; Prakash, Om; Sharma, Kumkum; Huang, Ping; Ericsson, Tore; Häggström, Lennart; Bendix, Jesper; Gupta, Arvind Kumar; Jakubikova, Elena; Wärnmark, Kenneth; Lomoth, Reiner","Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited.","Chemical science","2023","14","37","10129","10139","10.1039/d3sc02806b","","","0.71073","MoKα","","0.1076","0.0893","","","0.2242","0.2463","","","","","","1.072","","","","has coordinates","286699","2023-10-05","23:43:51",""
"1569742","23.182","0.0006","19.7134","0.0003","20.7973","0.0004","90","","102.186","0.002","90","","9290.1","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","FeIIICAB-2CM-150K","","- C28 H26 F6 Fe N8 P -","- C28 H26 F6 Fe N8 P -","- C336 H312 F72 Fe12 N96 P12 -","12","3","","Johnson, Catherine Ellen; Schwarz, Jesper; Deegbey, Mawuli; Prakash, Om; Sharma, Kumkum; Huang, Ping; Ericsson, Tore; Häggström, Lennart; Bendix, Jesper; Gupta, Arvind Kumar; Jakubikova, Elena; Wärnmark, Kenneth; Lomoth, Reiner","Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited.","Chemical science","2023","14","37","10129","10139","10.1039/d3sc02806b","","","0.71073","MoKα","","0.1172","0.059","","","0.1392","0.1645","","","","","","0.992","","","","has coordinates","286699","2023-10-05","23:43:51",""
"1569743","9.3359","0.0013","10.169","0.003","20.658","0.003","90","","90","","90","","1961.2","0.7","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C80 H104 N8 O24 -","8","1","","Malik, Monika; Senatore, Raffaele; Langer, Thierry; Holzer, Wolfgang; Pace, Vittorio","Base-mediated homologative rearrangement of nitrogen-oxygen bonds of <i>N</i>-methyl-<i>N</i>-oxyamides.","Chemical science","2023","14","37","10140","10146","10.1039/d3sc03216g","","x-ray","1.54186","CuKα","","0.056","0.0549","","","0.1523","0.1541","","","","","","1.051","","","","has coordinates","286698","2023-10-05","23:43:41",""
"1569744","35.3671","0.0011","7.1383","0.0002","28.5374","0.0006","90","","98.983","0.002","90","","7116.2","0.3","293","","293","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C64 H72 Ag2 B2 F8 N8 O12 -","- C64 H72 Ag2 B2 F8 N8 O12 -","- C256 H288 Ag8 B8 F32 N32 O48 -","4","1","","An, Shuguo; Hao, Aiyou; Xing, Pengyao","Supramolecular axial chirality in [N-I-N]<sup>+</sup>-type halogen bonded dimers.","Chemical science","2023","14","37","10194","10202","10.1039/d3sc03170e","","x-ray","1.54184","CuKα","","0.1242","0.0706","","","0.1668","0.1908","","","","","","1.002","","","","has coordinates","286701","2023-10-05","23:44:25",""
"1569745","9.435","0.002","15.715","0.004","29.428","0.006","90","","98.613","0.006","90","","4314.1","1.7","90","0.5","90","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H59 I N O2 P Pd -","- C49 H59 I N O2 P Pd -","- C196 H236 I4 N4 O8 P4 Pd4 -","4","1","","Howell, Mitchell T.; Kei, Peter; Anokhin, Maksim V.; Losovyj, Yaroslav; Fronczek, Frank R.; Nesterov, Evgueni E.","Suzuki–Miyaura catalyst-transfer polymerization: new mechanistic insights","Polymer Chemistry","2023","14","37","4319","4337","10.1039/D3PY00580A","","","0.71073","MoKα","","0.1015","0.0568","","","0.097","0.1085","","","","","","1.079","","","","has coordinates,has disorder","286814","2023-10-06","00:53:14",""
"1569746","24.539","0.003","9.9099","0.0013","35.394","0.004","90","","90.752","0.002","90","","8606.3","1.8","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H61.5 N O2 P Pd -","- C50.5 H61.5 N O2 P Pd -","- C404 H492 N8 O16 P8 Pd8 -","8","2","","Howell, Mitchell T.; Kei, Peter; Anokhin, Maksim V.; Losovyj, Yaroslav; Fronczek, Frank R.; Nesterov, Evgueni E.","Suzuki–Miyaura catalyst-transfer polymerization: new mechanistic insights","Polymer Chemistry","2023","14","37","4319","4337","10.1039/D3PY00580A","","","0.71073","MoKα","","0.1403","0.0627","","","0.106","0.131","","","","","","1.007","","","","has coordinates,has disorder","286814","2023-10-06","00:53:23",""
"1569747","15.27","0.0009","16.0942","0.0009","28.5954","0.0017","90","","102.271","0.002","90","","6867","0.7","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H102 O6 P2 Pd2 -","- C74 H102 O6 P2 Pd2 -","- C296 H408 O24 P8 Pd8 -","4","1","","Howell, Mitchell T.; Kei, Peter; Anokhin, Maksim V.; Losovyj, Yaroslav; Fronczek, Frank R.; Nesterov, Evgueni E.","Suzuki–Miyaura catalyst-transfer polymerization: new mechanistic insights","Polymer Chemistry","2023","14","37","4319","4337","10.1039/D3PY00580A","","","0.71073","MoKα","","0.075","0.0478","","","0.0885","0.0972","","","","","","1.044","","","","has coordinates","286814","2023-10-06","00:53:26",""
"1569748","10.8425","0.0008","6.299","0.0008","20.575","0.0019","90","","96.03","0.002","90","","1397.4","0.2","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 -","- C18 H14 F4 -","- C72 H56 F16 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0256","0.0193","","","0.0428","0.0455","","","","","","1.0836","","","","has coordinates","286707","2023-10-05","23:50:54",""
"1569749","29.688","0.002","6.2911","0.0005","11.942","0.0008","90","","90.063","0.003","90","","2230.4","0.3","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 Si2 -","- C24 H34 Si2 -","- C96 H136 Si8 -","4","0.5","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0452","0.0377","","","0.0929","0.0993","","","","","","1.088","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569750","6.2717","0.0008","16.1815","0.0016","18.3606","0.0018","90","","90","","90","","1863.3","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","1.54178","CuKα","","0.0246","0.0241","","","0.0634","0.0637","","","","","","1.021","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569751","10.1015","0.0009","6.0988","0.0005","21.7233","0.0017","90","","90.575","0.004","90","","1338.24","0.19","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F -","- C18 H17 F -","- C72 H68 F4 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0219","0.019","","","0.0453","0.0469","","","","","","1.1368","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569752","17.5616","0.0013","5.8909","0.0005","17.906","0.0016","90","","106.549","0.004","90","","1775.7","0.3","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 -","- C26 H22 -","- C104 H88 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0179","0.013","","","0.0233","0.0253","","","","","","1.0321","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569753","10.719","0.0015","5.9192","0.0012","20.494","0.003","90","","94.366","0.006","90","","1296.5","0.4","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 -","- C18 H18 -","- C72 H72 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","0.71073","MoKα","","0.0197","0.0139","","","0.0257","0.0273","","","","","","1.0841","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569754","14.77","0.003","19.188","0.004","25.019","0.005","90","","106.906","0.003","90","","6784","2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C132 H202 Cs2 O25 Si4 -","- C128 H194 Cs2 O24 Si4 -","- C256 H388 Cs4 O48 Si8 -","2","0.5","","Lirette, Frédéric; Darvish, Ali; Zhou, Zheng; Wei, Zheng; Renn, Lukas; Petrukhina, Marina A.; Weitz, R. Thomas; Morin, Jean-François","Dibenzannulated <i>peri</i>-acenoacenes from anthanthrene derivatives.","Chemical science","2023","14","37","10184","10193","10.1039/d3sc02898d","","x-ray","0.49594","synchrotron","","0.1778","0.1172","","","0.3336","0.3795","","","","","","1.278","","","","has coordinates,has disorder","286697","2023-10-05","23:43:34",""
"1569755","9.7676","0.0015","10.6234","0.0016","12.9739","0.0016","74.896","0.006","74.919","0.006","77.645","0.006","1239.4","0.3","150.15","","150.15","","","","","","","","","3","P -1","-P 1","2","","methyl 3-(2-hydroxy-7-phenylnaphthalen-1-yl)-3-phenylcyclobutane-1-carboxylate","","- C28 H24 O3 -","- C28 H24 O3 -","- C56 H48 O6 -","2","1","","Tang, Lei; Huang, Qi-Nan; Wu, Feng; Xiao, Yuanjiu; Zhou, Jin-Lan; Xu, Tong-Tong; Wu, Wen-Biao; Qu, Shuanglin; Feng, Jian-Jun","C(sp<sup>2</sup>)-H cyclobutylation of hydroxyarenes enabled by silver-π-acid catalysis: diastereocontrolled synthesis of 1,3-difunctionalized cyclobutanes.","Chemical science","2023","14","36","9696","9703","10.1039/d3sc03258b","","","0.71073","MoKα","","0.0721","0.0585","","","0.176","0.1861","","","","","","1.064","","","","has coordinates","286709","2023-10-05","23:51:13",""
"1569758","12.4061","0.0004","15.0978","0.0005","11.6059","0.0003","90","","106.806","0.001","90","","2080.99","0.11","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl N O4 -","- C25 H22 Cl N O4 -","- C100 H88 Cl4 N4 O16 -","4","1","","Jeyaseelan, R.; Utikal, M.; Daniliuc, C. G.; Næsborg, L","Photocyclization by a triplet-triplet annihilation upconversion pair in water - avoiding UV-light and oxygen removal.","Chemical science","2023","14","40","11040","11044","10.1039/d3sc03242f","","single crystal","0.71073","MoKα","","0.0359","0.0308","","","0.0761","0.0804","","","","","","1.065","","","","has coordinates","287317","2023-11-06","07:00:01",""
"1569760","16.4587","0.0002","13.3487","0.00017","20.0214","0.0002","90","","102.204","0.0013","90","","4299.34","0.09","100.03","0.13","100.03","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H41 Cu N6 O2 -","- C56 H41 Cu N6 O2 -","- C224 H164 Cu4 N24 O8 -","4","1","","Xie, Zhu-Lin; Gupta, Nikita; Niklas, Jens; Poluektov, Oleg G.; Lynch, Vincent M.; Glusac, Ksenija D.; Mulfort, Karen L.","Photochemical charge accumulation in a heteroleptic copper(i)-anthraquinone molecular dyad <i>via</i> proton-coupled electron transfer.","Chemical science","2023","14","37","10219","10235","10.1039/d3sc03428c","","x-ray","1.54184","CuKα","","0.0549","0.0481","","","0.125","0.1299","","","","","","1.041","","","","has coordinates,has disorder","286702","2023-10-05","23:44:34",""
"1569761","10.8051","0.0003","13.6401","0.0003","20.0438","0.0005","82.066","0.002","88.421","0.002","72.642","0.002","2792.3","0.13","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H40 Cu F6 N6 O2 P -","- C56 H40 Cu F6 N6 O2 P -","- C112 H80 Cu2 F12 N12 O4 P2 -","2","1","","Xie, Zhu-Lin; Gupta, Nikita; Niklas, Jens; Poluektov, Oleg G.; Lynch, Vincent M.; Glusac, Ksenija D.; Mulfort, Karen L.","Photochemical charge accumulation in a heteroleptic copper(i)-anthraquinone molecular dyad <i>via</i> proton-coupled electron transfer.","Chemical science","2023","14","37","10219","10235","10.1039/d3sc03428c","","","1.54184","CuKα","","0.0491","0.0438","","","0.117","0.1223","","","","","","1.029","","","","has coordinates,has disorder","286702","2023-10-05","23:44:35",""
"1569764","10.4207","0.0006","12.7439","0.0007","26.3116","0.0013","90","","93.427","0.002","90","","3487.9","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H58 Cl4 N8 Ru2 -","- C84 H58 Cl3.9998 N8 Ru2 -","- C168 H116 Cl7.9996 N16 Ru4 -","2","0.5","","Shing, Ka-Pan; Qin, Lin; Wu, Liang-Liang; Huang, Jie-Sheng; Che, Chi-Ming","Ruthenium(v) terminal arylimido corroles: isolation, spectroscopic characterization and reactivity.","Chemical science","2023","14","38","10602","10609","10.1039/d3sc02266h","","","1.54178","CuKα","","0.0824","0.0727","","","0.1782","0.1858","","","","","","1.101","","","","has coordinates,has disorder","287328","2023-11-06","07:08:09",""
"1569765","11.6532","0.0001","13.3957","0.00011","14.0284","0.00012","90","","90","","90","","2189.87","0.03","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O4 -","- C25 H19 N3 O4 -","- C100 H76 N12 O16 -","4","1","","Nimmo, Alastair J.; Bitai, Jacqueline; Young, Claire M.; McLaughlin, Calum; Slawin, Alexandra M. Z.; Cordes, David B.; Smith, Andrew D.","Enantioselective isothiourea-catalysed reversible Michael addition of aryl esters to 2-benzylidene malononitriles.","Chemical science","2023","14","27","7537","7544","10.1039/d3sc02101g","","","1.54184","CuKα","","0.0302","0.03","","","0.0813","0.0815","","","","","","1.029","","","","has coordinates","285973","2023-09-04","06:56:54",""
"1569766","5.87366","0.00008","9.56529","0.00013","36.9186","0.0004","90","","90","","90","","2074.21","0.05","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 F4 N2 O2 -","- C25 H16 F4 N2 O2 -","- C100 H64 F16 N8 O8 -","4","1","","Nimmo, Alastair J.; Bitai, Jacqueline; Young, Claire M.; McLaughlin, Calum; Slawin, Alexandra M. Z.; Cordes, David B.; Smith, Andrew D.","Enantioselective isothiourea-catalysed reversible Michael addition of aryl esters to 2-benzylidene malononitriles.","Chemical science","2023","14","27","7537","7544","10.1039/d3sc02101g","","","1.54184","CuKα","","0.0513","0.0513","","","0.1078","0.1079","","","","","","1.23","","","","has coordinates","285973","2023-09-04","06:57:06",""
"1569767","7.8355","0.0001","9.0262","0.0001","26.1596","0.0004","90","","90","","90","","1850.13","0.04","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Nimmo, Alastair J.; Bitai, Jacqueline; Young, Claire M.; McLaughlin, Calum; Slawin, Alexandra M. Z.; Cordes, David B.; Smith, Andrew D.","Enantioselective isothiourea-catalysed reversible Michael addition of aryl esters to 2-benzylidene malononitriles.","Chemical science","2023","14","27","7537","7544","10.1039/d3sc02101g","","x-ray","1.54184","CuKα","","0.0333","0.0327","","","0.0903","0.0906","","","","","","1.049","","","","has coordinates","285973","2023-09-04","06:57:09",""
"1569773","27.7943","0.0005","16.036","0.0003","34.0568","0.0006","90","","110.683","0.001","90","","14201.1","0.5","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H120 Cl4 Ir4 N8 Na O13 -","- C120 H120 Cl4 Ir4 N8 Na O13 -","- C480 H480 Cl16 Ir16 N32 Na4 O52 -","4","1","","Nguyen, Hieu D.; Jana, Rahul D.; Campbell, Dylan T.; Tran, Thi V.; Do, Loi H.","Lewis acid-driven self-assembly of diiridium macrocyclic catalysts imparts substrate selectivity and glutathione tolerance.","Chemical science","2023","14","37","10264","10272","10.1039/d3sc02836d","","","0.71073","MoKα","","0.1002","0.0493","","","0.1098","0.141","","","","","","1.01","","","","has coordinates","286696","2023-10-05","23:43:24",""
"1569789","9.4279","0.0005","14.3589","0.0007","21.7932","0.0009","90","","100.919","0.002","90","","2896.8","0.2","306","2","306","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Zn(H3qp4)](OTf)","(1-(2,5-dihydroxybenzyl)-8-(2,5-dihydroxybenzylalkoxide)-1,4,8,11-tetraazacyclotetradecane)zinc(II) triflate","","- C25 H35 F3 N4 O7 S Zn -","- C25 H35 F3 N4 O7 S Zn -","- C100 H140 F12 N16 O28 S4 Zn4 -","4","1","","Karbalaei, Sana; Franke, Alicja; Oppelt, Julian; Aziz, Tarfi; Jordan, Aubree; Pokkuluri, P. Raj; Schwartz, Dean D.; Ivanović-Burmazović, Ivana; Goldsmith, Christian R.","A macrocyclic quinol-containing ligand enables high catalase activity even with a redox-inactive metal at the expense of the ability to mimic superoxide dismutase.","Chemical science","2023","14","36","9910","9922","10.1039/d3sc02398b","","","0.71073","MoKα","","0.0388","0.0318","","","0.0855","0.0915","","","","","","1.036","","","","has coordinates","286708","2023-10-05","23:51:06",""
"1569790","28.848","0.0012","11.2724","0.0003","25.8452","0.001","90","","110.243","0.004","90","","7885.4","0.5","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H88 Ag N O6 P2 S4 Ti -","- C82 H88 Ag N O6 P2 S4 Ti -","- C328 H352 Ag4 N4 O24 P8 S16 Ti4 -","4","1","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.0969","0.0465","","","0.1125","0.1336","","","","","","1.04","","","","has coordinates,has disorder","286704","2023-10-05","23:45:16",""
"1569791","15.9991","0.0004","15.9991","0.0004","18.5546","0.0012","90","","90","","90","","4749.4","0.4","150","","150","","","","","","","","","7","P 42/m c m","-P 4c 2c","132","","","","- C84 H94 Ag4 N2 O10 S8 Ti2 -","- C84 H94 Ag4 N2 O10 S8 Ti2 -","- C168 H188 Ag8 N4 O20 S16 Ti4 -","2","0.125","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.0823","0.0457","","","0.117","0.1339","","","","","","1.051","","","","has coordinates,has disorder","286704","2023-10-05","23:45:17",""
"1569792","13.4327","0.0004","19.1408","0.0005","19.9855","0.0006","90","","100.461","0.003","90","","5053.1","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H100 Ag2.6 O11 S8 Ti2 -","- C86 H100 Ag2.5994 O11 S8 Ti2 -","- C172 H200 Ag5.1988 O22 S16 Ti4 -","2","0.5","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.0753","0.0553","","","0.1332","0.1397","","","","","","1.064","","","","has coordinates,has disorder","287939","2023-12-01","16:52:17",""
"1569793","22.9703","0.0013","15.9803","0.001","36.153","0.003","90","","95.01","0.007","90","","13220.1","1.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C89 H109 Ag2 N3 O12 S8 Ti2 -","- C89 H109 Ag2 N3 O12 S8 Ti2 -","- C356 H436 Ag8 N12 O48 S32 Ti8 -","4","1","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","x-ray","0.71073","MoKα","","0.1518","0.0804","","","0.195","0.2211","","","","","","0.86","","","","has coordinates,has disorder","286704","2023-10-05","23:45:17",""
"1569794","22.273","0.0015","44.47","0.003","38.489","0.003","90","","90","","90","","38123","5","90","2","90","2","","","","","","","","8","P m n 21","P 2ac -2","31","","","","- C441 H508 Ag16 N26 Na2 O109 S32 Ti16 -","- C440.5 H508 Ag16 N26 Na2 O109 S32 Ti16 -","- C881 H1016 Ag32 N52 Na4 O218 S64 Ti32 -","2","0.5","","Tian, Yi-Qi; Mu, Wen-Lei; Wu, Lin-Lin; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Stepwise assembly of thiacalix[4]arene-protected Ag/Ti bimetallic nanoclusters: accurate identification of catalytic Ag sites in CO<sub>2</sub> electroreduction.","Chemical science","2023","14","37","10212","10218","10.1039/d3sc02793g","","","1.34139","GaKα","","0.0969","0.0891","","","0.2203","0.2265","","","","","","1.088","","","","has coordinates,has disorder","286704","2023-10-05","23:45:17",""
"1569801","28.298","0.003","14.2503","0.0013","18.839","0.002","90","","105.771","0.005","90","","7310.9","1.3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H58 N2 O4 S4 -","- C32 H58 N2 O4 S4 -","- C256 H464 N16 O32 S32 -","8","2","","Takashima, Rikito; Aoki, Daisuke; Kuwata, Shigeki; Otsuka, Hideyuki","Ring-chain equilibria of dynamic macrocycles with a bis(hindered amino)disulfide linker","Polymer Chemistry","2023","14","37","4344","4351","10.1039/D3PY00808H","","","0.71075","MoKα","","0.1713","0.1553","","","0.3809","0.3884","","","","","","1.118","","","","has coordinates,has disorder","286815","2023-10-06","00:53:47",""
"1569802","28.46","0.002","45.626","0.003","23.4507","0.0017","90","","91.944","0.003","90","","30434","4","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H52 N2 O4 S4 -","- C29 H52 N2 O4 S4 -","- C1044 H1872 N72 O144 S144 -","36","9","","Takashima, Rikito; Aoki, Daisuke; Kuwata, Shigeki; Otsuka, Hideyuki","Ring-chain equilibria of dynamic macrocycles with a bis(hindered amino)disulfide linker","Polymer Chemistry","2023","14","37","4344","4351","10.1039/D3PY00808H","","","0.71075","MoKα","","0.1071","0.0915","","","0.2342","0.2555","","","","","","1.05","","","","has coordinates,has disorder","286815","2023-10-06","00:53:48",""
"1569828","20.514","0.003","9.4966","0.0013","39.416","0.006","90","","104.097","0.005","90","","7447.5","1.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","dodecamethoxy[12]cycloparaphenylene","","","- C90 H84 O14 -","- C90 H84 O14 -","- C360 H336 O56 -","4","1","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.7288","synchrotron","","0.1445","0.1274","","","0.2752","0.282","","","","","","1.062","","","","has coordinates,has disorder","286715","2023-10-05","23:52:16",""
"1569829","11.6451","0.0007","10.9012","0.0006","14.0135","0.0007","90","","109.99","0.003","90","","1671.77","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 O4 Ru2 -","- C38 H38 Cl2 O4 Ru2 -","- C76 H76 Cl4 O8 Ru4 -","2","0.5","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.71073","MoKα","","0.0525","0.0307","","","0.0582","0.0653","","","","","","1.015","","","","has coordinates","286715","2023-10-05","23:52:17",""
"1569830","19.7037","0.0019","8.3789","0.0008","21.004","0.002","90","","108.289","0.003","90","","3292.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","tetrafluoro[12]cycloparaphenylene","","- C72 H44 F4 -","- C72 H44 F4 -","- C144 H88 F8 -","2","0.5","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.7288","synchrotron","","0.0802","0.0706","","","0.2148","0.224","","","","","","1.033","","","","has coordinates,has disorder","286715","2023-10-05","23:52:17",""
"1569831","57.683","0.004","12.1111","0.0008","50.915","0.003","90","","90","","90","","35569","4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","tetramethoxy[12]cycloparaphenylene","","","- C78 H57 Cl3 O4 -","- C78 H57 Cl3 O4 -","- C1248 H912 Cl48 O64 -","16","1","","Kamin, Ashlyn A.; Clayton, Tara D.; Otteson, Claire E.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Jasti, Ramesh; Xiao, Dianne J.","Synthesis and metalation of polycatechol nanohoops derived from fluorocycloparaphenylenes.","Chemical science","2023","14","36","9724","9732","10.1039/d3sc03561a","","x-ray","0.71073","MoKα","","0.18","0.1202","","","0.3064","0.3545","","","","","","1.05","","","","has coordinates,has disorder","286715","2023-10-05","23:52:17",""
"1569832","8.8558","0.0007","17.2619","0.0011","10.454","0.0008","90","","91.877","0.003","90","","1597.2","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H28 Br N O4 S -","- C38 H28 Br N O4 S -","- C76 H56 Br2 N2 O8 S2 -","2","1","","Khuntia, Rupkumar; Mahapatra, Sanat Kumar; Roy, Lisa; Chandra Pan, Subhas","Structurally divergent enantioselective synthesis of benzofuran fused azocine derivatives and spiro-cyclopentanone benzofurans enabled by sequential catalysis.","Chemical science","2023","14","39","10768","10776","10.1039/d3sc03239f","","","0.71073","MoKα","","0.0444","0.0321","","","0.0658","0.071","","","","","","1.041","","","","has coordinates","287312","2023-11-06","06:57:38",""
"1569833","10.022","0.004","11.611","0.005","30.123","0.013","90","","90","","90","","3505","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H28 Cl3 N O4 S2 -","- C37 H28 Cl3 N O4 S2 -","- C148 H112 Cl12 N4 O16 S8 -","4","1","","Khuntia, Rupkumar; Mahapatra, Sanat Kumar; Roy, Lisa; Chandra Pan, Subhas","Structurally divergent enantioselective synthesis of benzofuran fused azocine derivatives and spiro-cyclopentanone benzofurans enabled by sequential catalysis.","Chemical science","2023","14","39","10768","10776","10.1039/d3sc03239f","","","0.71073","MoKα","","0.0935","0.077","","","0.2148","0.2402","","","","","","1.008","","","","has coordinates","287312","2023-11-06","06:57:41",""
"1569834","26.5817","0.0007","14.4781","0.0002","24.2574","0.0008","90","","115.367","0.003","90","","8435.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H114 Mo9 N3 O34 P -","- C52 H114 Mo9 N3 O34 P -","- C208 H456 Mo36 N12 O136 P4 -","4","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.0963","0.0798","","","0.202","0.2115","","","","","","1.056","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569835","27.4763","0.0004","21.2915","0.0003","17.3843","0.0003","90","","105.576","0.0015","90","","9796.5","0.3","93","2","93","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C66 H126 Cu Mo9 N5 O39 P3 -","- C66 H126 Cu Mo9 N5 O39 P3 -","- C264 H504 Cu4 Mo36 N20 O156 P12 -","4","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.0412","0.0381","","","0.1002","0.1024","","","","","","1.058","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569836","27.5817","0.0004","21.2628","0.0003","17.231","0.0003","90","","105.719","0.0018","90","","9727.4","0.3","93","2","93","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C65 H123 Mo9 N4 O37 P3 -","- C65 H123 Mo9 N4 O37 P3 -","- C260 H492 Mo36 N16 O148 P12 -","4","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.0572","0.0465","","","0.1105","0.1155","","","","","","1.048","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569837","14.2945","0.0002","24.5625","0.0004","29.1153","0.0005","111.653","0.0015","98.3822","0.0014","95.1863","0.0013","9283.5","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H267 Mo18 N10 O72 P6 -","- C120 H267 Mo18 N10 O72 P6 -","- C240 H534 Mo36 N20 O144 P12 -","2","1","","Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Ushiyama, Tomoki; Yamaguchi, Kazuya; Suzuki, Kosuke","Molecular hybrids of trivacant lacunary polyoxomolybdate and multidentate organic ligands.","Chemical science","2023","14","37","10280","10284","10.1039/d3sc03713d","","","0.71073","MoKα","","0.1524","0.0775","","","0.1899","0.2217","","","","","","1.05","","","","has coordinates","286700","2023-10-05","23:44:16",""
"1569838","10.8046","0.0004","22.285","0.0007","15.2955","0.0004","90","","92.948","0.001","90","","3678","0.2","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DAP","20,21-dimethyl-20,21-dihydro-9H-dibenzo[a,i]benzo[4,5]indolo[3,2-c]benzo[4,5]indolo[2,3-g]carbazole","","- C50 H43 N3 O2 -","- C50 H43 N3 O2 -","- C200 H172 N12 O8 -","4","1","","Wei, Yuefang; Cai, Yaohang; He, Lifei; Zhang, Yuyan; Yuan, Yi; Zhang, Jing; Wang, Peng","Molecular engineering of nitrogen-rich helicene based organic semiconductors for stable perovskite solar cells.","Chemical science","2023","14","37","10285","10296","10.1039/d3sc02845c","","","0.71073","MoKα","","0.0812","0.0591","","","0.1482","0.1678","","","","","","1.022","","","","has coordinates,has disorder","286705","2023-10-05","23:45:28",""
"1569840","9.5728","0.0006","12.9468","0.0009","18.7278","0.001","90","","90","","90","","2321.1","0.3","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 Cl N O2 P -","- C21 H35 Cl N O2 P -","- C84 H140 Cl4 N4 O8 P4 -","4","1","","Oya, Ryoto; Ota, Kenji; Fuki, Masaaki; Kobori, Yasuhiro; Higashi, Masahiro; Nagao, Kazunori; Ohmiya, Hirohisa","Biomimetic design of an α-ketoacylphosphonium-based light-activated oxygenation auxiliary.","Chemical science","2023","14","38","10488","10493","10.1039/d3sc03572g","","","0.71075","MoKα","","0.0586","0.0502","","","0.1299","0.135","","","","","","1.046","","","","has coordinates","287326","2023-11-06","07:07:19",""
"1569841","13.9731","0.0005","16.3251","0.0005","37.9097","0.0013","90","","90","","90","","8647.7","0.5","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H63 Cl Fe N7 O4 -","- C43 H63 Cl Fe N7 O4 -","- C344 H504 Cl8 Fe8 N56 O32 -","8","1","","Jana, Sandipan; De, Puja; Dey, Chinmay; Dey, Somdatta Ghosh; Dey, Abhishek; Gupta, Sayam Sen","Highly regioselective oxidation of C-H bonds in water using hydrogen peroxide by a cytochrome P450 mimicking iron complex.","Chemical science","2023","14","38","10515","10523","10.1039/d3sc03495j","","","0.71073","MoKα","","0.0389","0.0355","","","0.0911","0.0929","","","","","","1.082","","","","has coordinates","287324","2023-11-06","07:04:04",""
"1569842","11.9001","0.0002","19.1517","0.0003","10.5986","0.0001","90","","102.996","0.002","90","","2353.63","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N5 O4 -","- C27 H27 N5 O4 -","- C108 H108 N20 O16 -","4","1","","Jana, Sandipan; De, Puja; Dey, Chinmay; Dey, Somdatta Ghosh; Dey, Abhishek; Gupta, Sayam Sen","Highly regioselective oxidation of C-H bonds in water using hydrogen peroxide by a cytochrome P450 mimicking iron complex.","Chemical science","2023","14","38","10515","10523","10.1039/d3sc03495j","","","1.54184","CuKα","","0.0704","0.0621","","","0.1674","0.1758","","","","","","1.059","","","","has coordinates","287324","2023-11-06","07:04:06",""
"1569843","9.6155","0.0002","15.4439","0.0004","15.4444","0.0004","90","","93.615","0.001","90","","2288.94","0.1","154","2","154","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 F6 O4 P2 -","- C16 H36 F6 O4 P2 -","- C64 H144 F24 O16 P8 -","4","1","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.063","0.0388","","","0.0794","0.0899","","","","","","1.017","","","","has coordinates","286703","2023-10-05","23:44:46",""
"1569844","11.1743","0.0008","23.349","0.002","9.9798","0.0006","90","","90","","90","","2603.8","0.3","143","2","143","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C20 H44 F6 P2 -","- C20 H44 F6 P2 -","- C80 H176 F24 P8 -","4","0.25","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.0736","0.0423","","","0.0889","0.1018","","","","","","1.053","","","","has coordinates,has disorder","286703","2023-10-05","23:44:46",""
"1569845","22.679","0.0012","5.6876","0.0003","8.1653","0.0004","90","","99.864","0.005","90","","1037.66","0.09","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H36 Br O4 P -","- C16 H36 Br O4 P -","- C32 H72 Br2 O8 P2 -","2","0.5","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.0219","0.0205","","","0.0471","0.0479","","","","","","1.045","","","","has coordinates","286703","2023-10-05","23:44:46",""
"1569846","23.535","0.004","10.8949","0.0017","9.5632","0.0015","90","","90","","90","","2452.1","0.7","143","2","143","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H44 B F4 P -","- C20 H44 B F4 P -","- C80 H176 B4 F16 P4 -","4","0.5","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.0907","0.0679","","","0.1367","0.1476","","","","","","1.219","","","","has coordinates,has disorder","286703","2023-10-05","23:44:46",""
"1569847","11.605","0.002","14.647","0.003","13.946","0.003","90","","91.312","0.006","90","","2369.9","0.8","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Br P -","- C20 H44 Br P -","- C80 H176 Br4 P4 -","4","1","","Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M.","Room temperature ionic liquids with two symmetric ions.","Chemical science","2023","14","37","10340","10346","10.1039/d3sc03240j","","","0.71073","MoKα","","0.1077","0.0598","","","0.1481","0.1779","","","","","","1.028","","","","has coordinates,has disorder","286703","2023-10-05","23:44:46",""
"1569855","10.8467","0.0003","15.6202","0.0004","18.4959","0.0004","65.623","0.002","86.626","0.002","86.202","0.002","2846.36","0.13","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C121 H176 N8 P4 -","- C121 H176 N8 P4 -","- C121 H176 N8 P4 -","1","0.5","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.0702","0.0488","","","0.1201","0.1307","","","","","","1.03","","","","has coordinates,has disorder","287309","2023-11-06","06:56:09",""
"1569856","12.9163","0.0017","14.6645","0.001","31.89","0.003","90","","100.295","0.013","90","","5943.1","1.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H88 N4 P2 -","- C62 H88 N4 P2 -","- C248 H352 N16 P8 -","4","1","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.087","0.055","","","0.14","0.1557","","","","","","1.041","","","","has coordinates","287309","2023-11-06","06:56:11",""
"1569857","10.7687","0.0005","13.0866","0.0005","36.6199","0.0017","90","","94.36","0.004","90","","5145.7","0.4","151","1","151","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H78 N4 P2 -","- C56 H78 N4 P2 -","- C224 H312 N16 P8 -","4","1","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.0792","0.0519","","","0.1109","0.1186","","","","","","1.014","","","","has coordinates","287309","2023-11-06","06:56:12",""
"1569858","12.1506","0.0007","26.0299","0.0016","21.381","0.0014","90","","93.965","0.003","90","","6746.2","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C129 H197 N8 P4 Si2 -","- C129 H197 N8 P4 Si2 -","- C258 H394 N16 P8 Si4 -","2","0.5","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","","0.71073","MoKα","","0.1343","0.0985","","","0.2662","0.2909","","","","","","1.059","","","","has coordinates,has disorder","287309","2023-11-06","06:56:12",""
"1569859","10.9009","0.0006","20.4655","0.0012","26.2304","0.0011","108.695","0.005","90.684","0.004","97.49","0.005","5486.8","0.5","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H78 N4 P2 -","- C56 H78 N4 P2 -","- C224 H312 N16 P8 -","4","2","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.1833","0.0728","","","0.1639","0.203","","","","","","0.949","","","","has coordinates","287309","2023-11-06","06:56:12",""
"1569860","13.8709","0.0009","20.0194","0.0014","23.2162","0.0014","90","","98.502","0.006","90","","6376","0.7","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H87 Au Cl F2 N4 P2 -","- C68 H87 Au Cl F2 N4 P2 -","- C272 H348 Au4 Cl4 F8 N16 P8 -","4","1","","Lin, Jieli; Liu, Shihua; Zhang, Jie; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Room temperature stable <i>E</i>,<i>Z</i>-diphosphenes: their isomerization, coordination, and cycloaddition chemistry.","Chemical science","2023","14","39","10944","10952","10.1039/d3sc04506d","","x-ray","0.71073","MoKα","","0.0885","0.0447","","","0.0984","0.1146","","","","","","1.007","","","","has coordinates,has disorder","287309","2023-11-06","06:56:12",""
"1569868","5.2532","0.0003","5.2532","0.0003","22.6462","0.0016","90","","90","","90","","624.95","0.07","120.02","","120.02","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C5 H4 N O3 W -","- C5 H4 N O3 W -","- C20 H16 N4 O12 W4 -","4","0.125","","Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam","Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.","Chemical science","2023","14","39","10756","10767","10.1039/d3sc03828a","","","0.71073","MoKα","","0.016","0.0128","","","0.0323","0.0327","","","","","","1.229","","","","has coordinates","287307","2023-11-06","06:51:14",""
"1569869","5.2479","0.0007","5.2479","0.0007","14.143","0.003","90","","90","","90","","389.5","0.11","120","","120","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C2 H2 Mo N O3 -","- C2 H2 Mo N O3 -","- C8 H8 Mo4 N4 O12 -","4","0.125","","Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam","Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.","Chemical science","2023","14","39","10756","10767","10.1039/d3sc03828a","","","0.71073","MoKα","","0.0185","0.0181","","","0.0556","0.0559","","","","","","1.39","","","","has coordinates","287307","2023-11-06","06:51:17",""
"1569870","7.522","0.003","7.375","0.003","25.795","0.011","90","","90","","90","","1431","1","120.01","","120.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 Mo N2 O3 -","- C5 H4 Mo N2 O3 -","- C40 H32 Mo8 N16 O24 -","8","1","","Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam","Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.","Chemical science","2023","14","39","10756","10767","10.1039/d3sc03828a","","","0.71073","MoKα","","0.0969","0.0814","","","0.1693","0.1753","","","","","","1.211","","","","has coordinates","287307","2023-11-06","06:51:17",""
"1569871","9.3698","0.0001","42.8233","0.0003","10.2352","0.0001","90","","103.371","0.001","90","","3995.51","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H62 B O P -","- C45 H62 B O P -","- C180 H248 B4 O4 P4 -","4","1","","Sindlinger, Marvin; Ströbele, Markus; Grunenberg, Jörg; Bettinger, Holger F.","Accessing unusual heterocycles: ring expansion of benzoborirenes by formal cycloaddition reactions.","Chemical science","2023","14","38","10478","10487","10.1039/d3sc03433j","","x-ray","1.54184","CuKα","","0.0257","0.023","","","0.0545","0.0557","","","","","","1.0991","","","","has coordinates","287325","2023-11-06","07:06:47",""
"1569872","21.8427","0.0002","10.7386","0.0001","22.3596","0.0002","90","","99.87","0.001","90","","5167.04","0.08","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H79 B N2 -","- C59 H79 B N2 -","- C236 H316 B4 N8 -","4","1","","Sindlinger, Marvin; Ströbele, Markus; Grunenberg, Jörg; Bettinger, Holger F.","Accessing unusual heterocycles: ring expansion of benzoborirenes by formal cycloaddition reactions.","Chemical science","2023","14","38","10478","10487","10.1039/d3sc03433j","","x-ray","1.54184","CuKα","","0.0513","0.0498","","","0.1368","0.1381","","","","","","1.014","","","","has coordinates,has disorder","287325","2023-11-06","07:06:49",""
"1569873","13.0778","0.0001","16.2591","0.0001","18.6511","0.0002","90","","109.678","0.001","90","","3734.24","0.06","149.99","0.11","149.99","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H57 B O -","- C44 H57 B O -","- C176 H228 B4 O4 -","4","1","","Sindlinger, Marvin; Ströbele, Markus; Grunenberg, Jörg; Bettinger, Holger F.","Accessing unusual heterocycles: ring expansion of benzoborirenes by formal cycloaddition reactions.","Chemical science","2023","14","38","10478","10487","10.1039/d3sc03433j","","x-ray","1.54184","CuKα","","0.0173","0.0158","","","0.0343","0.0349","","","","","","1.1036","","","","has coordinates","287325","2023-11-06","07:06:59",""
"1569874","10.8013","0.0006","11.3081","0.0007","12.0889","0.0007","84.885","0.002","74.87","0.002","72.103","0.002","1356.34","0.14","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 N2 O2 -","- C32 H40 N2 O2 -","- C64 H80 N4 O4 -","2","1","","Luo, Xiao; Zhang, Zhonghui; Wang, Jie; Wang, Xueli; Zhang, Yani; Chen, Jinquan; Ge, Guangbo; Yang, Wen; Qian, Xuhong; Tian, Yang; Yang, Youjun","Acyl-caged rhodamines: photo-controlled and self-calibrated generation of acetyl radicals for neural function recovery in early AD mice.","Chemical science","2023","14","42","11689","11698","10.1039/d3sc03035k","","","0.71073","MoKα","","0.0569","0.0494","","","0.1293","0.1363","","","","","","1.038","","","","has coordinates,has disorder","287301","2023-11-06","06:47:46",""
"1569875","7.6372","0.0005","9.3281","0.0006","18.7886","0.0012","84.927","0.002","82.985","0.002","69.699","0.002","1244.44","0.14","298","","298","","","","","","","","","4","P -1","-P 1","2","","lji","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C58 H68 N4 O4 -","2","1","","Luo, Xiao; Zhang, Zhonghui; Wang, Jie; Wang, Xueli; Zhang, Yani; Chen, Jinquan; Ge, Guangbo; Yang, Wen; Qian, Xuhong; Tian, Yang; Yang, Youjun","Acyl-caged rhodamines: photo-controlled and self-calibrated generation of acetyl radicals for neural function recovery in early AD mice.","Chemical science","2023","14","42","11689","11698","10.1039/d3sc03035k","","","0.71073","MoKα","","0.2011","0.109","","","0.2096","0.244","","","","","","1.134","","","","has coordinates","287301","2023-11-06","06:47:52",""
"1569876","19.1013","0.0006","11.5155","0.0003","19.3079","0.0006","90","","105.893","0.001","90","","4084.6","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 F18 N4 O2 Si -","- C43 H30 F18 N4 O2 Si -","- C172 H120 F72 N16 O8 Si4 -","4","1","","Thorwart, Thaddäus; Greb, Lutz","Reversible C-H bond silylation with a neutral silicon Lewis acid.","Chemical science","2023","14","40","11237","11242","10.1039/d3sc03488g","","","0.71073","MoKα","","0.0456","0.0425","","","0.1074","0.1099","","","","","","1.027","","","","has coordinates","287316","2023-11-06","06:59:44",""
"1569877","10.3174","0.0004","18.845","0.0007","10.3316","0.0004","90","","103.056","0.007","90","","1956.86","0.14","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.0433","0.0406","","","0.1064","0.1085","","","","","","1.044","","","","has coordinates","287311","2023-11-06","06:56:50",""
"1569878","11.2867","0.0014","7.6954","0.0009","11.8213","0.0014","90","","98.725","0.007","90","","1014.9","0.2","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C52 H44 N4 O4 -","2","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.1934","0.0904","","","0.2204","0.273","","","","","","0.991","","","","has coordinates","287311","2023-11-06","06:56:53",""
"1569879","10.1061","0.0011","14.109","0.0014","14.8443","0.0015","85.453","0.006","83.081","0.006","74.047","0.005","2017.9","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H27 Cl3 F12 N2 O2 -","- C45 H27 Cl3 F12 N2 O2 -","- C90 H54 Cl6 F24 N4 O4 -","2","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","","0.1132","","","","0.3232","","","","","","1.001","","","","has coordinates","287311","2023-11-06","06:56:56",""
"1569880","9.0396","0.0015","21.882","0.004","10.4133","0.0018","90","","97.221","0.004","90","","2043.5","0.6","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","0.71075","MoKα","","0.0706","0.0524","","","0.1122","0.1152","","","","","","0.824","","","","has coordinates","287311","2023-11-06","06:57:00",""
"1569881","21.2877","0.0005","9.84","0.0002","27.3069","0.0006","90","","90","","90","","5720","0.2","123","","123","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H35 N2 O2 Rh -","- C36 H35 N2 O2 Rh -","- C288 H280 N16 O16 Rh8 -","8","2","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.0728","0.057","","","0.1241","0.1341","","","","","","1.029","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1569882","17.6227","0.0004","18.3009","0.0004","18.5577","0.0004","90","","90","","90","","5985.1","0.2","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H37 N2 O2 Rh -","- C37 H37 N2 O2 Rh -","- C296 H296 N16 O16 Rh8 -","8","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.0632","0.0511","","","0.1171","0.1233","","","","","","1.115","","","","has coordinates","287311","2023-11-06","06:57:13",""
"1569903","11.1245","0.0004","10.5529","0.0003","13.5415","0.0005","90","","107.914","0.002","90","","1512.64","0.09","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H28 N2 O3 -","- C39 H28 N2 O3 -","- C78 H56 N4 O6 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","1.54178","CuKα","","0.0355","0.0318","","","0.0838","0.0866","","","","","","1.04","","","","has coordinates","287308","2023-11-06","06:51:33",""
"1569904","32.1431","0.0008","7.189","0.0002","11.8007","0.0003","90","","98.963","0.002","90","","2693.57","0.12","302","2","302","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C58 H44 N2 O8 S2 -","- C58 H44 N2 O8 S2 -","- C116 H88 N4 O16 S4 -","2","0.5","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0554","0.0425","","","0.1046","0.1151","","","","","","1.066","","","","has coordinates","287308","2023-11-06","06:51:36",""
"1569905","13.2537","0.0004","8.0062","0.0002","15.7406","0.0005","90","","94.626","0.001","90","","1664.82","0.08","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H25 Cl3 N2 O4 -","- C37 H25 Cl3 N2 O4 -","- C74 H50 Cl6 N4 O8 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.1003","0.0667","","","0.1763","0.2034","","","","","","1.036","","","","has coordinates","287308","2023-11-06","06:51:46",""
"1569906","10.1003","0.0004","15.1715","0.0005","13.9176","0.0005","90","","101.792","0.002","90","","2087.68","0.13","184","2","184","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H38 N4 O8 S4 -","- C40 H38.424 N4 O8 S4 -","- C80 H76.848 N8 O16 S8 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0789","0.0537","","","0.1156","0.1273","","","","","","1.03","","","","has coordinates,has disorder","287308","2023-11-06","06:51:48",""
"1569907","10.038","0.0005","12.1514","0.0006","12.3554","0.0007","77.395","0.002","67.131","0.002","85.909","0.002","1354.98","0.12","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H23 F3 N2 O3 -","- C34 H23 F3 N2 O3 -","- C68 H46 F6 N4 O6 -","2","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0971","0.0525","","","0.1142","0.1319","","","","","","1.03","","","","has coordinates","287308","2023-11-06","06:51:51",""
"1569908","9.253","0.0005","9.3566","0.0005","9.9037","0.0006","106.668","0.002","101.698","0.002","117.979","0.002","665.24","0.07","302","2","302","","","","","","","","","6","P 1","P 1","1","","","","- C32 H27 F N2 O3 S -","- C32 H27 F N2 O3 S -","- C32 H27 F N2 O3 S -","1","1","","Jiang, Bo; Gui, Wu-Tao; Wang, Hao-Tian; Xie, Ke; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Asymmetric Friedel-Crafts reaction of unsaturated carbonyl-tethered heteroarenes <i>via</i> vinylogous activation of Pd<sup>0</sup>-π-Lewis base catalysis.","Chemical science","2023","14","39","10867","10874","10.1039/d3sc03996j","","","0.71073","MoKα","","0.0504","0.0386","","","0.0881","0.0941","","","","","","1.038","","","","has coordinates","287308","2023-11-06","06:51:51",""
"1569912","15.5976","0.0013","17.2486","0.0014","19.3869","0.0016","90","","90","","90","","5215.8","0.7","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C60 H80 Li2 O7 -","- C60 H80 Li2 O7 -","- C240 H320 Li8 O28 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0581","0.0502","","","0.1397","0.1425","","","","","","1.081","","","","has coordinates,has disorder","288757","2024-01-06","07:28:11",""
"1569913","8.8122","0.0003","26.5491","0.0008","20.9892","0.0007","90","","92.896","0.001","90","","4904.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 Na2 O6 -","- C56 H72 Na2 O6 -","- C224 H288 Na8 O24 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0809","0.0575","","","0.1456","0.1609","","","","","","1.018","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569914","17.8448","0.0005","16.1337","0.0004","18.5018","0.0005","90","","90.328","0.001","90","","5326.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H80 Na2 O7 -","- C60 H80 Na2 O7 -","- C240 H320 Na8 O28 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0537","0.0396","","","0.1146","0.1252","","","","","","1.038","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569915","12.0087","0.0015","12.8316","0.0016","19.699","0.003","89.457","0.002","89.629","0.001","76.211","0.002","2947.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H88 Li4 O8 -","- C64 H88 Li4 O8 -","- C128 H176 Li8 O16 -","2","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.1205","0.0889","","","0.2372","0.2628","","","","","","1.047","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569916","21.9901","0.0008","18.2207","0.0006","20.0657","0.0007","90","","114.112","0.001","90","","7338.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.31 H111.31 K2 N4 O13.31 -","- C75.308 H111.308 K2 N4 O13.308 -","- C301.232 H445.232 K8 N16 O53.232 -","4","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.0619","0.0471","","","0.1339","0.1426","","","","","","1.063","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569917","12.0529","0.0008","15.8788","0.0011","20.3203","0.0014","87.647","0.002","76.921","0.001","74.718","0.001","3653.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H112 Na2 O17 -","- C72 H104 Na2 O16 -","- C144 H208 Na4 O32 -","2","1","","Stawski, Wojciech; Zhu, Yikun; Wei, Zheng; Petrukhina, Marina A.; Anderson, Harry L.","Crystallographic evidence for global aromaticity in the di-anion and tetra-anion of a cyclophane hydrocarbon.","Chemical science","2023","14","48","14109","14114","10.1039/d3sc04251k","","x-ray","0.49594","Synchrotron","","0.1146","0.0875","","","0.2529","0.2846","","","","","","1.04","","","","has coordinates,has disorder","288757","2024-01-06","07:28:12",""
"1569918","18.7021","0.0011","34.941","0.002","26.6821","0.0018","90","","104.779","0.003","90","","16859.1","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.08 H27.08 Cl9.23 N2 O4 -","- C43.0765 H27.0765 Cl9.2295 N2 O4 -","- C689.224 H433.224 Cl147.672 N32 O64 -","16","2","","Spengler, Jonas; Zhu, Chongwei; Shoyama, Kazutaka; Würthner, Frank","π-Extended benzo[1,2:4,5]di[7]annulene bis(dicarboximide)s - a new class of non-alternant polycyclic aromatic dicarboximides.","Chemical science","2023","14","39","10861","10866","10.1039/d3sc04015a","","","1.54178","CuKα","","0.0985","0.0796","","","0.2103","0.2312","","","","","","1.023","","","","has coordinates,has disorder","287310","2023-11-06","06:56:28",""
"1569919","5.8154","0.0007","17.4","0.002","23.776","0.003","90","","90","","90","","2405.8","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Br2 N2 O2 S -","- C26 H24 Br2 N2 O2 S -","- C104 H96 Br8 N8 O8 S4 -","4","1","","Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui","Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.","Chemical science","2023","14","39","10812","10823","10.1039/d3sc04581a","","x-ray","0.71073","MoKα","","0.0661","0.0472","","","0.1101","0.1185","","","","","","1.039","","","","has coordinates","287306","2023-11-06","06:51:02",""
"1569920","6.0455","0.0001","15.2328","0.0003","25.3404","0.0005","90","","90","","90","","2333.59","0.08","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","1","","Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui","Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.","Chemical science","2023","14","39","10812","10823","10.1039/d3sc04581a","","","1.54178","CuKα","","0.0406","0.0366","","","0.0922","0.0954","","","","","","1.047","","","","has coordinates,has disorder","287306","2023-11-06","06:51:02",""
"1569921","8.0066","0.0003","14.474","0.0006","19.8606","0.0008","90","","90","","90","","2301.6","0.16","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 F6 N O3 S -","- C25 H17 F6 N O3 S -","- C100 H68 F24 N4 O12 S4 -","4","1","","Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui","Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.","Chemical science","2023","14","39","10812","10823","10.1039/d3sc04581a","","x-ray","0.71073","MoKα","","0.0324","0.0298","","","0.07","0.0717","","","","","","1.039","","","","has coordinates","287306","2023-11-06","06:51:02",""
"1569922","14.97514","0.00011","11.89935","0.00009","19.33172","0.00015","90","","98.9295","0.0007","90","","3403.05","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 Cl2 N O Ru -","- C37 H49 Cl2 N O Ru -","- C148 H196 Cl8 N4 O4 Ru4 -","4","1","","Sytniczuk, Adrian; Struzik, Filip; Grela, Karol; Kajetanowicz, Anna","A tunable family of CAAC-ruthenium olefin metathesis catalysts modularly derived from a large-scale produced ibuprofen intermediate.","Chemical science","2023","14","39","10744","10755","10.1039/d3sc03849a","","x-ray","1.54184","CuKα","","0.0313","0.0302","","","0.0762","0.077","","","","","","1.032","","","","has coordinates","287315","2023-11-06","06:58:41",""
"1569923","9.86","0.002","9.92","0.002","18.12","0.004","81.9","0.03","84.7","0.03","67.4","0.03","1618.5","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H43 Cl2 Ga N P Si -","- C31 H43 Cl2 Ga N P Si -","- C62 H86 Cl4 Ga2 N2 P2 Si2 -","2","1","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0444","0.0346","","","0.0929","0.097","","","","","","1.074","","","","has coordinates","287318","2023-11-06","07:01:00",""
"1569924","10.009","0.002","10.011","0.002","18.111","0.004","85.2","0.03","82.22","0.03","67.29","0.03","1657.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H49 Ga N P Si -","- C33 H49 Ga N P Si -","- C66 H98 Ga2 N2 P2 Si2 -","2","1","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0404","0.0295","","","0.0727","0.0765","","","","","","1.032","","","","has coordinates","287318","2023-11-06","07:01:03",""
"1569925","23.09","0.005","27.34","0.006","22.52","0.005","90","","111.9","0.03","90","","13191","6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H91 Cl2 Ga2 N2 O0.5 P2 Si2 -","- C64 H91 Cl2 Ga2 N2 O0.5 P2 Si2 -","- C512 H728 Cl16 Ga16 N16 O4 P16 Si16 -","8","2","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.1432","0.0523","","","0.1012","0.123","","","","","","0.877","","","","has coordinates","299663","2025-05-14","10:18:00",""
"1569926","15.714","0.003","22.937","0.005","20.691","0.004","90","","90","","90","","7458","3","150","2","150","2","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C62 H86 Cl2 Ga2 N2 P2 Pd Si2 -","- C62 H86 Cl2 Ga2 N2 P2 Pd Si2 -","- C248 H344 Cl8 Ga8 N8 P8 Pd4 Si8 -","4","0.5","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0485","0.0354","","","0.0886","0.094","","","","","","1.06","","","","has coordinates","287318","2023-11-06","07:01:14",""
"1569927","15.629","0.003","22.82","0.005","20.425","0.004","90","","90","","90","","7285","3","150","2","150","2","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C71 H106 Cl2 Ga2 N2 Ni P2 Si2 -","- C71 H106 Cl2 Ga2 N2 Ni P2 Si2 -","- C284 H424 Cl8 Ga8 N8 Ni4 P8 Si8 -","4","0.5","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.1045","0.0489","","","0.1192","0.1382","","","","","","0.971","","","","has coordinates","287318","2023-11-06","07:01:15",""
"1569928","25.06","0.005","15.84","0.003","39.86","0.008","90","","106.5","0.03","90","","15171","6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H98 Ga2 N2 Ni2 P2 Si2 -","- C70 H98 Ga2 N2 Ni2 P2 Si2 -","- C560 H784 Ga16 N16 Ni16 P16 Si16 -","8","1","","Kalkuhl, Till L.; Qin, Lei; Zhao, Lili; Frenking, Gernot; Hadlington, Terrance J.","On the σ-complex character of bis(gallyl)/digallane transition metal species.","Chemical science","2023","14","40","11088","11095","10.1039/d3sc03772j","","","0.71073","MoKα","","0.0555","0.0357","","","0.0928","0.1006","","","","","","0.97","","","","has coordinates","287318","2023-11-06","07:01:15",""
"1569929","9.12559","0.00016","9.43073","0.00017","14.8426","0.0003","90","","90","","90","","1277.37","0.04","170","0.2","170","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,4S,5R,7R)-eremophila-3,4-epoxy-1(10),11-dien-2-one","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Dong, Jie; Zhou, Mi; Pan, Da-Bo; Qin, Qian-Yu; Li, Ting; Yao, Xin-Sheng; Li, Hai-Bo; Yu, Yang","Eremophilane and cadinane sesquiterpenoids from the fruits of <i>Alpinia oxyphylla</i> and their anti-inflammatory activities.","Food & function","2023","14","21","9755","9766","10.1039/d3fo01221b","","x-ray","1.54184","CuKα","","0.0345","0.0323","","","0.0856","0.0872","","","","","","1.037","","","","has coordinates","287351","2023-11-06","07:41:21",""
"1569930","8.1552","0.0006","20.429","0.002","27.192","0.003","90","","90","","90","","4530.3","0.7","150.15","","150.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,4R,5S,7S,9R)-eremophila-1(10),11-dien-2,9-diol","","- C15.33333 H25.33333 O2.33333 -","- C15.3333 H25.3333 O2.33333 -","- C184 H304 O28 -","12","3","","Dong, Jie; Zhou, Mi; Pan, Da-Bo; Qin, Qian-Yu; Li, Ting; Yao, Xin-Sheng; Li, Hai-Bo; Yu, Yang","Eremophilane and cadinane sesquiterpenoids from the fruits of <i>Alpinia oxyphylla</i> and their anti-inflammatory activities.","Food & function","2023","14","21","9755","9766","10.1039/d3fo01221b","","","1.54184","CuKα","","0.1099","0.0726","","","0.16","0.1909","","","","","","1.005","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1569936","25.288","0.003","27.896","0.004","41.288","0.002","90.71","0.04","99.819","0.001","116.18","0.001","25628","5","100","","100","","","","","","","","","6","P -1","-P 1","2","double helical capsule","","","- C159 H108.5 Ca N29 O62.5 S6 -","- C159 H108.5 Ca N29 O62.5 S6 -","- C636 H434 Ca4 N116 O250 S24 -","4","2","","Teng, Binhao; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Ferrand, Yann; Huc, Ivan","Controlling aromatic helix dimerization in water by tuning charge repulsions.","Chemical science","2023","14","40","11251","11260","10.1039/d3sc02020g","","","0.9184","Synchrotron","","0.1527","0.1361","","","0.4112","0.4398","","","","","","1.909","","","","has coordinates","287322","2023-11-06","07:02:13",""
"1569937","13.2324","0.0006","9.0288","0.0004","19.0515","0.0009","90","","96.874","0.002","90","","2259.77","0.18","295","2","294.8","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O2 S -","- C27 H21 N O2 S -","- C108 H84 N4 O8 S4 -","4","1","","Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An","Photo-induced imino functionalizations of alkenes <i>via</i> intermolecular charge transfer.","Chemical science","2023","14","40","11170","11179","10.1039/d3sc03667g","","","0.71073","MoKα","","0.0765","0.0439","","","0.1144","0.1393","","","","","","0.901","","","","has coordinates","287320","2023-11-06","07:01:53",""
"1569938","14.8707","0.0009","9.3692","0.0005","17.0525","0.001","90","","107.269","0.007","90","","2268.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O2 S -","- C28 H23 N O2 S -","- C112 H92 N4 O8 S4 -","4","1","","Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An","Photo-induced imino functionalizations of alkenes <i>via</i> intermolecular charge transfer.","Chemical science","2023","14","40","11170","11179","10.1039/d3sc03667g","","","1.54178","CuKα","","0.0797","0.063","","","0.1698","0.1884","","","","","","1.066","","","","has coordinates","287320","2023-11-06","07:01:53",""
"1569939","13.7117","0.0003","9.235","0.0002","18.8993","0.0004","90","","100.434","0.001","90","","2353.6","0.09","299","2","299.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C112 H100 N4 O12 S4 -","4","1","","Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An","Photo-induced imino functionalizations of alkenes <i>via</i> intermolecular charge transfer.","Chemical science","2023","14","40","11170","11179","10.1039/d3sc03667g","","","1.54178","CuKα","","0.0688","0.0512","","","0.1459","0.1641","","","","","","1.132","","","","has coordinates","287320","2023-11-06","07:01:53",""
"1569940","12.7617","0.0006","21.2431","0.001","9.2655","0.0004","90","","100.383","0.004","90","","2470.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N O3 S -","- C29 H27 N O3 S -","- C116 H108 N4 O12 S4 -","4","1","","Zhang, Xiang-Xin; Zheng, Hao; Mei, Yong-Kang; Liu, Yan; Liu, Ying-Ying; Ji, Ding-Wei; Wan, Boshun; Chen, Qing-An","Photo-induced imino functionalizations of alkenes <i>via</i> intermolecular charge transfer.","Chemical science","2023","14","40","11170","11179","10.1039/d3sc03667g","","","1.54178","CuKα","","0.0573","0.0454","","","0.119","0.1303","","","","","","1.038","","","","has coordinates","287320","2023-11-06","07:01:53",""
"1569941","10.274","0.002","11.716","0.004","14.422","0.004","90","","90","","90","","1736","0.8","124","","124","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F3 N O3 S -","- C18 H16 F3 N O3 S -","- C72 H64 F12 N4 O12 S4 -","4","1","","Dethe, Dattatraya H.; Kumar, Vimlesh; Shukla, Manmohan","A palladium catalyzed asymmetric desymmetrization approach to enantioenriched 1,3-disubstituted isoindolines.","Chemical science","2023","14","40","11267","11272","10.1039/d3sc03496h","","x-ray","1.54178","CuKα","","0.0318","0.0317","","","0.0847","0.0848","","","","","","1.063","","","","has coordinates","287321","2023-11-06","07:02:00",""
"1569942","9.4122","0.0004","15.2241","0.0006","24.3198","0.0009","90","","90","","90","","3484.8","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H43 B F4 N4 -","- C37 H43 B F4 N4 -","- C148 H172 B4 F16 N16 -","4","1","","Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.","Broadening the catalytic region from the cavity to windows by M<sub>6</sub>L<sub>12</sub> nanospheres in cyclizations.","Chemical science","2023","14","42","11699","11707","10.1039/d3sc02998k","","","0.71073","MoKα","","0.0771","0.0639","","","0.1631","0.1706","","","","","","1.213","","","","has coordinates","287303","2023-11-06","06:48:44",""
"1569943","9.279","0.0004","15.5601","0.0006","24.1767","0.001","90","","90","","90","","3490.7","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Au Cl N4 -","- C37 H42 Au Cl N4 -","- C148 H168 Au4 Cl4 N16 -","4","1","","Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.","Broadening the catalytic region from the cavity to windows by M<sub>6</sub>L<sub>12</sub> nanospheres in cyclizations.","Chemical science","2023","14","42","11699","11707","10.1039/d3sc02998k","","","0.71073","MoKα","","0.0593","0.0584","","","0.1784","0.1795","","","","","","1.056","","","","has coordinates","287303","2023-11-06","06:48:50",""
"1569944","30.373","0.003","30.373","0.003","77.172","0.013","90","","90","","120","","61655","13","200","2","200","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C517 H643 Au12 B12 Cl12 F48 N63 O28 Pd6 -","- C517 H486 Au12 B12 Cl12 F48 N63 O28 Pd6 -","- C1551 H1458 Au36 B36 Cl36 F144 N189 O84 Pd18 -","3","0.166667","","Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.","Broadening the catalytic region from the cavity to windows by M<sub>6</sub>L<sub>12</sub> nanospheres in cyclizations.","Chemical science","2023","14","42","11699","11707","10.1039/d3sc02998k","","","0.71073","MoKα","","0.1278","0.0991","","","0.3268","0.362","","","","","","1.047","","","","has coordinates,has disorder","287303","2023-11-06","06:48:53",""
"1569945","13.915","0.003","13.928","0.002","24.247","0.005","105.027","0.007","96.887","0.007","109.734","0.006","4159.3","1.4","100","2","100","","","","","","","","","7","P 1","P 1","1","","","","- C128 H296 Ce2 Cs2 N32 O4 P8 -","- C64 H148 Ce Cs N16 O2 P4 -","- C128 H296 Ce2 Cs2 N32 O4 P8 -","2","2","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce<sup>3+</sup> imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0588","0.0538","","","0.1284","0.1363","","","","","","1.101","","","","has coordinates,has disorder","287298","2023-11-06","06:47:06",""
"1569946","13.828","0.001","13.9994","0.001","23.9161","0.0017","95.768","0.003","105.731","0.003","108.564","0.003","4135","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C132 H306 Ce2 N32 O5 P8 Rb2 -","- C132 H306 Ce2 N32 O5 P8 Rb2 -","- C132 H306 Ce2 N32 O5 P8 Rb2 -","1","0.5","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce<sup>3+</sup> imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0987","0.0856","","","0.2284","0.2432","","","","","","1.094","","","","has coordinates,has disorder","287298","2023-11-06","06:47:07",""
"1569947","14.1551","0.0007","23.2285","0.0012","22.8762","0.0012","90","","99.179","0.002","90","","7425.4","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C116 H266 Ce2 N32 Na2 O P8 -","- C116 H266 Ce2 N32 Na2 O P8 -","- C232 H532 Ce4 N64 Na4 O2 P16 -","2","0.5","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce<sup>3+</sup> imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0536","0.0446","","","0.1069","0.1145","","","","","","1.036","","","","has coordinates,has disorder","287298","2023-11-06","06:47:07",""
"1569948","28.658","0.006","22.627","0.005","25.312","0.005","90","","115.73","0.03","90","","14786","7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H266 Ce2 Li2 N32 O P8 -","- C116 H266 Ce2 Li2 N32 O P8 -","- C464 H1064 Ce8 Li8 N128 O4 P32 -","4","1","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce<sup>3+</sup> imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.0931","0.0858","","","0.1805","0.1847","","","","","","1.146","","","","has coordinates,has disorder","287298","2023-11-06","06:47:07",""
"1569949","20.5497","0.0014","18.859","0.0012","28.366","0.002","90","","107.014","0.002","90","","10512","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H186 Ce K N16 O13 P4 -","- C84 H186 Ce K N16 O13 P4 -","- C336 H744 Ce4 K4 N64 O52 P16 -","4","1","","Boggiano, Andrew C.; Studvick, Chad M.; Steiner, Alexander; Bacsa, John; Popov, Ivan A.; La Pierre, Henry S.","Structural distortion by alkali metal cations modulates the redox and electronic properties of Ce<sup>3+</sup> imidophosphorane complexes.","Chemical science","2023","14","42","11708","11717","10.1039/d3sc04262f","","","0.71073","MoKα","","0.1389","0.1296","","","0.2645","0.2699","","","","","","1.158","","","","has coordinates,has disorder","287298","2023-11-06","06:47:07",""
"1569950","9.7038","0.0004","21.6692","0.0009","18.5069","0.0008","90","","94.236","0.003","90","","3880.9","0.3","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 O9 P3 -","- C45 H39 O9 P3 -","- C180 H156 O36 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0486","0.0398","","","0.1099","0.1134","","","","","","1.066","","","","has coordinates","287297","2023-11-06","06:44:50",""
"1569951","9.5934","0.0004","16.0924","0.0006","16.5046","0.0007","61.503","0.001","88.68","0.002","84.59","0.002","2228.61","0.16","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H49 O11 P3 -","- C51 H49 O11 P3 -","- C102 H98 O22 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.0751","0.0591","","","0.1725","0.1875","","","","","","1.057","","","","has coordinates","287297","2023-11-06","06:44:53",""
"1569952","26.6062","0.0004","26.6062","0.0004","26.6062","0.0004","90","","90","","90","","18834.3","0.5","198","","198","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C81 H96 N3 O9 P3 -","- C81 H96 N3 O9 P3 -","- C648 H768 N24 O72 P24 -","8","0.333333","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0879","0.0866","","","0.2279","0.2307","","","","","","1.043","","","","has coordinates","287297","2023-11-06","06:44:59",""
"1569953","17.3052","0.0012","9.0255","0.001","17.3209","0.0018","90","","119.957","0.002","90","","2343.9","0.4","193","","193","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C53 H55 O13 P3 -","- C53 H55 O13 P3 -","- C106 H110 O26 P6 -","2","0.5","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1391","0.0848","","","0.2114","0.2581","","","","","","1.048","","","","has coordinates,has disorder","287297","2023-11-06","06:45:10",""
"1569954","9.6814","0.0005","15.7995","0.0011","16.5384","0.0011","61.976","0.002","88.724","0.002","88.902","0.002","2232.5","0.2","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H51 O11 P3 -","- C51 H51 O11 P3 -","- C102 H102 O22 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.0559","0.0483","","","0.1322","0.1382","","","","","","1.056","","","","has coordinates,has disorder","287297","2023-11-06","06:45:12",""
"1569955","9.834","0.0005","16.3677","0.0008","16.5833","0.0008","60.844","0.002","86.001","0.002","87.955","0.003","2325.4","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H53 O10 P3 -","- C53 H53 O10 P3 -","- C106 H106 O20 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0683","0.0456","","","0.1289","0.1358","","","","","","1.069","","","","has coordinates","287297","2023-11-06","06:45:17",""
"1569956","9.3026","0.0002","23.6769","0.0006","31.7445","0.0008","109.593","0.001","96.78","0.002","97.97","0.002","6421.2","0.3","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H63 O12 P3 -","- C72 H63 O12 P3 -","- C288 H252 O48 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0758","0.0635","","","0.1896","0.2017","","","","","","1.071","","","","has coordinates","287297","2023-11-06","06:45:21",""
"1569957","9.4775","0.0004","16.7701","0.0008","17.2391","0.0009","114.852","0.003","90.936","0.003","105.208","0.003","2374","0.2","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H53 O11 P3 -","- C56 H53 O11 P3 -","- C112 H106 O22 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1423","0.0614","","","0.1372","0.169","","","","","","0.999","","","","has coordinates,has disorder","287297","2023-11-06","06:45:24",""
"1569958","9.7954","0.0004","16.3856","0.0009","26.881","0.0015","90","","94.079","0.002","90","","4303.6","0.4","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cl O11 P3 -","- C48 H44 Cl O11 P3 -","- C192 H176 Cl4 O44 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1077","0.0717","","","0.1896","0.22","","","","","","1.036","","","","has coordinates","287297","2023-11-06","06:45:35",""
"1569959","9.6266","0.0004","25.9063","0.001","22.4427","0.0009","90","","94.66","0.002","90","","5578.5","0.4","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H63 O13 P3 -","- C65 H63 O13 P3 -","- C260 H252 O52 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0591","0.0486","","","0.1313","0.138","","","","","","1.067","","","","has coordinates,has disorder","287297","2023-11-06","06:45:48",""
"1569960","17.9616","0.0009","18.1401","0.001","19.7987","0.0011","116.041","0.003","91.906","0.003","102.985","0.003","5583.3","0.6","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H67 O11 P3 -","- C63 H67 O11 P3 -","- C252 H268 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0966","0.0617","","","0.1725","0.1824","","","","","","1.014","","","","has coordinates,has disorder","287297","2023-11-06","06:45:51",""
"1569961","10.4445","0.0003","16.552","0.0004","25.2164","0.0006","90","","96.461","0.001","90","","4331.66","0.19","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 O12 P4 -","- C48 H48 O12 P4 -","- C192 H192 O48 P16 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.0703","0.0441","","","0.1114","0.124","","","","","","1.035","","","","has coordinates","287297","2023-11-06","06:46:02",""
"1569962","9.1368","0.0003","11.1106","0.0004","23.2706","0.0007","80.5","0.001","86.409","0.001","76.836","0.001","2267.93","0.13","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H55 O10 P3 -","- C52 H55 O10 P3 -","- C104 H110 O20 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.045","0.041","","","0.1147","0.1182","","","","","","1.03","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569963","8.3298","0.0003","11.7921","0.0006","23.5575","0.001","75.792","0.002","87.279","0.002","77.21","0.002","2187.46","0.17","193","","193","","","","","","","","","4","P 1","P 1","1","","","","- C53 H47 O10 P3 -","- C53 H47 O10 P3 -","- C106 H94 O20 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.061","0.0452","","","0.107","0.1168","","","","","","1.052","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569964","16.1991","0.0003","10.1623","0.0002","28.6677","0.0006","90","","90.624","0.001","90","","4719","0.16","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 O9 P3 -","- C52 H47 O9 P3 -","- C208 H188 O36 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0423","0.0412","","","0.1189","0.1198","","","","","","1.025","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569965","9.4246","0.0016","16.952","0.003","28.583","0.004","88.789","0.005","83.362","0.005","88.235","0.005","4533.1","1.3","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H47 O11 P3 -","- C53 H47 O11 P3 -","- C212 H188 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.1753","0.0823","","","0.1821","0.2475","","","","","","1.025","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569966","9.546","0.0005","14.968","0.0008","16.9529","0.0007","69.511","0.002","76.368","0.002","81.443","0.002","2199.29","0.19","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H47 N2 O9 P3 -","- C51 H47 N2 O9 P3 -","- C102 H94 N4 O18 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.0606","0.0434","","","0.1106","0.1205","","","","","","1.037","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569967","10.5368","0.0003","15.9874","0.0005","16.9175","0.0006","101.345","0.002","106.614","0.001","90.411","0.001","2671.41","0.15","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H51 Cl2 F2 O11 P3 -","- C59 H51 Cl2 F2 O11 P3 -","- C118 H102 Cl4 F4 O22 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.044","0.0413","","","0.1093","0.111","","","","","","1.03","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569968","9.6588","0.0005","16.0406","0.0008","16.414","0.0008","62.242","0.002","89.152","0.002","84.69","0.002","2239.6","0.2","193","","193","","","","","","","","","5","P 1","P 1","1","","","","- C51 H48 N O12 P3 -","- C51 H48 N O12 P3 -","- C102 H96 N2 O24 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0447","0.0423","","","0.1229","0.1256","","","","","","1.079","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569969","8.9718","0.0004","17.5666","0.0008","29.7758","0.0013","90","","90.006","0.002","90","","4692.8","0.4","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H49 Cl2 O11 P3 -","- C51 H49 Cl2 O11 P3 -","- C204 H196 Cl8 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0406","0.0401","","","0.1234","0.1243","","","","","","1.167","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569970","11.0428","0.0002","15.3355","0.0003","16.784","0.0004","93.686","0.001","100.727","0.001","107.398","0.001","2642.99","0.1","193","","193","","","","","","","","","4","P 1","P 1","1","","","","- C61 H59 O11 P3 -","- C61 H59 O11 P3 -","- C122 H118 O22 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0389","0.0365","","","0.1004","0.1026","","","","","","1.054","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569971","22.5584","0.0004","10.1939","0.0002","24.3804","0.0004","90","","116.477","0.001","90","","5018.43","0.16","198","","198","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H63 O11 P3 -","- C55 H63 O11 P3 -","- C220 H252 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0484","0.043","","","0.1158","0.1179","","","","","","1.046","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569972","11.0451","0.0004","15.3389","0.0005","16.7639","0.0006","93.606","0.002","100.717","0.002","107.383","0.002","2641.81","0.16","193","","193","","","","","","","","","4","P 1","P 1","1","","","","- C61 H59 O11 P3 -","- C61 H59 O11 P3 -","- C122 H118 O22 P6 -","2","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0331","0.0322","","","0.0872","0.088","","","","","","1.039","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569973","7.3067","0.0002","17.8379","0.0005","18.2695","0.0005","95.467","0.001","92.247","0.001","100.75","0.001","2324.79","0.11","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H45 Br Cl O10 P3 -","- C52 H45 Br Cl O10 P3 -","- C104 H90 Br2 Cl2 O20 P6 -","2","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0644","0.0595","","","0.1763","0.181","","","","","","1.042","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569974","21.6584","0.0006","8.6796","0.0003","27.2304","0.0007","90","","93.524","0.001","90","","5109.3","0.3","193.15","","193.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H51 O12 P3 -","- C50 H51 O12 P3 -","- C200 H204 O48 P12 -","4","1","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0434","0.0377","","","0.1025","0.1072","","","","","","1.053","","","","has coordinates","287297","2023-11-06","06:46:05",""
"1569975","8.9267","0.0011","17.608","0.002","29.783","0.004","90","","90.035","0.004","90","","4681.3","1","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H49 Cl2 O11 P3 -","- C51 H49 Cl2 O11 P3 -","- C204 H196 Cl8 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","0.71073","MoKα","","0.066","0.0649","","","0.1857","0.1873","","","","","","1.036","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569976","22.5745","0.0004","10.2015","0.0002","24.3748","0.0004","90","","116.635","0.001","90","","5017.68","0.16","198","","198","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H63 O11 P3 -","- C55 H63 O11 P3 -","- C220 H252 O44 P12 -","4","2","","Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong","Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form.","Chemical science","2023","14","41","11402","11409","10.1039/d3sc02995f","","","1.54178","CuKα","","0.0421","0.0402","","","0.1118","0.1137","","","","","","1.053","","","","has coordinates,has disorder","287297","2023-11-06","06:46:05",""
"1569977","17.0351","0.0002","7.02387","0.0001","27.7571","0.0004","90","","90","","90","","3321.2","0.08","100.09","0.1","100.09","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H15 B F2 N4 O -","- C19 H15 B F2 N4 O -","- C152 H120 B8 F16 N32 O8 -","8","1","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF<sub>2</sub> switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0451","0.0373","","","0.0891","0.093","","","","","","1.073","","","","has coordinates","287291","2023-11-06","06:38:49",""
"1569978","7.9997","0.0003","11.4194","0.0004","14.6997","0.0006","72.158","0.003","82.26","0.003","72.295","0.003","1216.44","0.08","99.9","0.6","99.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31 B F2 N4 O -","- C27 H31 B F2 N4 O -","- C54 H62 B2 F4 N8 O2 -","2","1","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF<sub>2</sub> switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0417","0.0369","","","0.1023","0.1059","","","","","","1.103","","","","has coordinates","287291","2023-11-06","06:38:50",""
"1569979","7.2509","0.0003","41.2972","0.0009","9.738","0.0002","90.122","0.002","109.885","0.003","89.203","0.003","2741.83","0.15","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B F2 N4 O2 -","- C29 H34 B F2 N4 O2 -","- C116 H136 B4 F8 N16 O8 -","4","2","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF<sub>2</sub> switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0911","0.0783","","","0.2231","0.2356","","","","","","1.049","","","","has coordinates","287291","2023-11-06","06:38:50",""
"1569980","7.9249","0.0002","11.3974","0.0003","16.0639","0.0004","98.41","0.002","102.69","0.002","108.1","0.002","1308.96","0.06","100","0.4","100","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 B F2 N4 O -","- C29 H35 B F2 N4 O -","- C58 H70 B2 F4 N8 O2 -","2","1","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF<sub>2</sub> switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0999","0.0902","","","0.2406","0.2478","","","","","","1.118","","","","has coordinates","287291","2023-11-06","06:38:50",""
"1569981","10.531","0.003","28.389","0.009","26.123","0.013","90","","98.954","0.017","90","","7715","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(EMind)LCu(N3Ad)","","","- C83 H116 Cu F6 N5 O2 -","- C83 H116 Cu F6 N5 O2 -","- C332 H464 Cu4 F24 N20 O8 -","4","1","","Carsch, Kurtis M.; North, Sasha C.; DiMucci, Ida M.; Iliescu, Andrei; Vojáčková, Petra; Khazanov, Thomas; Zheng, Shao-Liang; Cundari, Thomas R.; Lancaster, Kyle M.; Betley, Theodore A.","Nitrene transfer from a sterically confined copper nitrenoid dipyrrin complex.","Chemical science","2023","14","39","10847","10860","10.1039/d3sc03641c","","","0.71073","MoKα","","0.1594","0.1095","","","0.2432","0.2643","","","","","","1.085","","","","has coordinates,has disorder","287314","2023-11-06","06:58:12",""
"1569982","14.053","0.004","14.168","0.003","25.657","0.005","90","","94.936","0.008","90","","5089","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ArFLCu","","- C65 H41 Cu F6 N2 -","- C65 H41 Cu F6 N2 -","- C260 H164 Cu4 F24 N8 -","4","1","","Carsch, Kurtis M.; North, Sasha C.; DiMucci, Ida M.; Iliescu, Andrei; Vojáčková, Petra; Khazanov, Thomas; Zheng, Shao-Liang; Cundari, Thomas R.; Lancaster, Kyle M.; Betley, Theodore A.","Nitrene transfer from a sterically confined copper nitrenoid dipyrrin complex.","Chemical science","2023","14","39","10847","10860","10.1039/d3sc03641c","","","0.71073","MoKα","","0.0863","0.0454","","","0.0983","0.1109","","","","","","1.031","","","","has coordinates,has disorder","287314","2023-11-06","06:58:15",""
"1569983","38.366","0.01","4.5756","0.0011","15.248","0.004","90","","99.235","0.007","90","","2642.1","1.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H32 N8 O4 -","- C25 H32 N8 O4 -","- C100 H128 N32 O16 -","4","0.5","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.6889","synchrotron","","0.0835","0.0679","","","0.1924","0.2036","","","","","","1.073","","","","has coordinates","287295","2023-11-06","06:41:48",""
"1569984","11.278","0.002","4.5289","0.001","22.111","0.005","90","","91.188","0.005","90","","1129.1","0.4","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N6 O4.5 -","- C22 H29 N6 O4.5 -","- C44 H58 N12 O9 -","2","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.71073","MoKα","","0.2428","0.0792","","","0.1343","0.1785","","","","","","0.932","","","","has coordinates","287295","2023-11-06","06:42:00",""
"1569985","18.482","0.004","9.1899","0.0015","17.264","0.003","90","","108.867","0.004","90","","2774.7","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N8 O4 -","- C25 H32 N8 O4 -","- C100 H128 N32 O16 -","4","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.6889","Synchrotron","","0.2126","0.1509","","","0.3806","0.4319","","","","","","1.285","","","","has coordinates","287295","2023-11-06","06:42:15",""
"1569986","14.3484","0.0008","9.2167","0.0005","17.5718","0.0009","90","","110.049","0.002","90","","2183","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N6 O4 -","- C21 H26 N6 O4 -","- C84 H104 N24 O16 -","4","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.71073","MoKα","","0.0932","0.0575","","","0.1122","0.1256","","","","","","1.066","","","","has coordinates","287295","2023-11-06","06:42:32",""
"1569987","11.3","0.003","4.5408","0.0011","21.909","0.005","90","","90.897","0.007","90","","1124","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 N6 O6 -","- C21 H30 N6 O6 -","- C42 H60 N12 O12 -","2","1","","Contreras-Montoya, Rafael; Smith, James P.; Boothroyd, Stephen C.; Aguilar, Juan A.; Mirzamani, Marzieh; Screen, Martin A.; Yufit, Dmitry S.; Robertson, Mark; He, Lilin; Qian, Shuo; Kumari, Harshita; Steed, Jonathan W.","Pathway complexity in fibre assembly: from liquid crystals to hyper-helical gelmorphs.","Chemical science","2023","14","41","11389","11401","10.1039/d3sc03841f","","x-ray","0.6889","synchrotron","","0.1761","0.1179","","","0.308","0.3656","","","","","","1.034","","","","has coordinates","287295","2023-11-06","06:42:48",""
"1570012","6.0804","0.0003","9.9981","0.0005","13.2176","0.0007","78.932","0.004","86.169","0.004","79.771","0.004","775.61","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","6-chloro-3-iodoimidazo[1,2-a]pyrazine","","- C6 H3 Cl I N3 -","- C6 H3 Cl I N3 -","- C24 H12 Cl4 I4 N12 -","4","2","","Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul","Calculation-assisted regioselective functionalization of the imidazo[1,2-<i>a</i>]pyrazine scaffold <i>via</i> zinc and magnesium organometallic intermediates.","Chemical science","2023","14","40","11261","11266","10.1039/d3sc02893c","","","0.71073","MoKα","","0.055","0.0357","","","0.0784","0.088","","","","","","1.04","","","","has coordinates","287323","2023-11-06","07:02:27",""
"1570013","8.9084","0.0003","8.9556","0.0003","9.5787","0.0003","75.699","0.001","74.587","0.001","80.138","0.001","709.3","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","6-chloro-8-iodo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-3-carbonitrile","","- C14 H8 Cl I N4 O -","- C14 H8 Cl I N4 O -","- C28 H16 Cl2 I2 N8 O2 -","2","1","","Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul","Calculation-assisted regioselective functionalization of the imidazo[1,2-<i>a</i>]pyrazine scaffold <i>via</i> zinc and magnesium organometallic intermediates.","Chemical science","2023","14","40","11261","11266","10.1039/d3sc02893c","","","0.71073","MoKα","","0.0246","0.022","","","0.0535","0.0551","","","","","","1.048","","","","has coordinates","287323","2023-11-06","07:02:38",""
"1570014","13.2253","0.001","7.3421","0.0004","9.4392","0.0006","90","","106.538","0.007","90","","878.64","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-allyl-6-chloroimidazo[1,2-a]pyrazine","","- C9 H8 Cl N3 -","- C9 H8 Cl N3 -","- C36 H32 Cl4 N12 -","4","1","","Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul","Calculation-assisted regioselective functionalization of the imidazo[1,2-<i>a</i>]pyrazine scaffold <i>via</i> zinc and magnesium organometallic intermediates.","Chemical science","2023","14","40","11261","11266","10.1039/d3sc02893c","","","0.71073","MoKα","","0.0573","0.0432","","","0.1053","0.1163","","","","","","1.06","","","","has coordinates","287323","2023-11-06","07:02:52",""
"1570015","8.2171","0.0002","5.6996","0.0001","18.6448","0.0005","90","","99.802","0.001","90","","860.47","0.03","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-chloro-2-iodoimidazo[1,2-a]pyrazine-3-carbonitrile","","- C7 H2 Cl I N4 -","- C7 H2 Cl I N4 -","- C28 H8 Cl4 I4 N16 -","4","1","","Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul","Calculation-assisted regioselective functionalization of the imidazo[1,2-<i>a</i>]pyrazine scaffold <i>via</i> zinc and magnesium organometallic intermediates.","Chemical science","2023","14","40","11261","11266","10.1039/d3sc02893c","","","0.71073","MoKα","","0.023","0.0184","","","0.0369","0.0386","","","","","","1.054","","","","has coordinates","287323","2023-11-06","07:03:06",""
"1570016","9.6512","0.0008","19.553","0.0012","20.0708","0.0007","71.675","0.004","89.523","0.004","88.863","0.006","3594.8","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","NDI-Pt-Ptz","NDI-Pt-Ptz","","- C77 H105 N3 O4 P2 Pt S -","- C77 H105 N3 O4 P2 Pt S -","- C154 H210 N6 O8 P4 Pt2 S2 -","2","1","","Auty, Alexander J.; Scattergood, Paul A.; Keane, Theo; Cheng, Tao; Wu, Guanzhi; Carson, Heather; Shipp, James; Sadler, Andrew; Roseveare, Thomas; Sazanovich, Igor V.; Meijer, Anthony J. H. M.; Chekulaev, Dimitri; Elliot, Paul I. P.; Towrie, Mike; Weinstein, Julia A.","A stronger acceptor decreases the rates of charge transfer: ultrafast dynamics and on/off switching of charge separation in organometallic donor-bridge-acceptor systems.","Chemical science","2023","14","41","11417","11428","10.1039/d2sc06409j","","x-ray","0.6889","synchrotron","","0.1246","0.1078","","","0.3157","0.3265","","","","","","1.098","","","","has coordinates","287294","2023-11-06","06:40:49",""
"1570017","14.635","0.002","10.097","0.002","20.471","0.003","90","","103.824","0.011","90","","2937.4","0.8","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C136 H184 N8 O16 -","8","1","","Just, David; Gonçalves, Carlos R; Vezonik, Uroš; Kaiser, Daniel; Maulide, Nuno","General acid-mediated aminolactone formation using unactivated alkenes.","Chemical science","2023","14","39","10806","10811","10.1039/d3sc04073a","","x-ray","0.71073","MoKα","","0.1699","0.0991","","","0.276","0.3023","","","","","","1.043","","","","has coordinates,has disorder","287313","2023-11-06","06:57:51",""
"1570018","12.4541","0.0011","14.0752","0.0012","11.4174","0.001","90","","113.841","0.002","90","","1830.6","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Gandelman419b (Kuldeep)","","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","1","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.1209","0.0642","","","0.1295","0.1556","","","","","","1.013","","","","has coordinates","288732","2024-01-06","07:18:28",""
"1570019","17.321","0.003","17.321","0.003","25.467","0.005","90","","90","","120","","6617","2","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","Gandelman452b (Kuldeep)","","","- C78 H90 I8 Li8 N18 -","- C78 H90 I8 Li8 N18 -","- C234 H270 I24 Li24 N54 -","3","0.166667","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.0741","0.0387","","","0.0616","0.0685","","","","","","0.875","","","","has coordinates","288732","2024-01-06","07:18:29",""
"1570020","7.804","0.0016","8.7759","0.0018","11.326","0.002","76.189","0.002","73.494","0.003","64.373","0.004","664.5","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","Gandelman457b (Kuldeep)","","","- C15 H19 N3 -","- C15 H19 N3 -","- C30 H38 N6 -","2","1","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.0789","0.0406","","","0.0954","0.1137","","","","","","0.966","","","","has coordinates","288732","2024-01-06","07:18:29",""
"1570021","9.832","0.003","11.907","0.004","12.61","0.004","90","","90","","90","","1476.2","0.8","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Gandelman417b (Kuldeep)","","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.1291","0.0612","","","0.125","0.1544","","","","","","1.083","","","","has coordinates","288732","2024-01-06","07:18:29",""
"1570022","10.225","0.002","18.985","0.004","10.7936","0.0018","90","","104.967","0.006","90","","2024.2","0.7","286","2","286","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cu N4 O2 -","- C24 H18 Cu N4 O2 -","- C96 H72 Cu4 N16 O8 -","4","1","","Ren, Jing; Xu, Junhua; Kong, Xiangxiang; Li, Jinlong; Li, Kaizhi","Coordinating activation strategy enables 1,2-alkylamidation of alkynes.","Chemical science","2023","14","41","11466","11473","10.1039/d3sc03786j","","","0.71073","MoKα","","0.037","0.0298","","","0.077","0.0817","","","","","","1.042","","","","has coordinates","287296","2023-11-06","06:43:20",""
"1570039","10.18735","0.00013","13.9611","0.0002","21.418","0.0003","90","","93.4998","0.0012","90","","3040.53","0.07","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C144 H128 O32 -","8","2","","Goyal, Karan; Kukier, Garrett A.; Chen, Xiangyang; Turlik, Aneta; Houk, K. N.; Sarpong, Richmond","Rearrangement of a carboxy-substituted spiro[4.4]nonatriene to annulated fulvenes through a Pd(ii)-mediated 1,5-vinyl shift.","Chemical science","2023","14","42","11809","11817","10.1039/d3sc03222a","","x-ray","1.54184","CuKα","","0.0405","0.0351","","","0.0887","0.0939","","","","","","1.024","","","","has coordinates","287300","2023-11-06","06:47:26",""
"1570040","17.14","0.0002","8.0962","0.0001","31.5007","0.0004","90","","105.166","0.001","90","","4219.07","0.09","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C192 H192 O64 -","16","2","","Goyal, Karan; Kukier, Garrett A.; Chen, Xiangyang; Turlik, Aneta; Houk, K. N.; Sarpong, Richmond","Rearrangement of a carboxy-substituted spiro[4.4]nonatriene to annulated fulvenes through a Pd(ii)-mediated 1,5-vinyl shift.","Chemical science","2023","14","42","11809","11817","10.1039/d3sc03222a","","","1.54184","CuKα","","0.0451","0.0423","","","0.1139","0.1168","","","","","","1.083","","","","has coordinates","287300","2023-11-06","06:47:26",""
"1570041","12.9522","0.0003","8.0449","0.0002","16.5583","0.0004","90","","98.837","0.002","90","","1704.88","0.07","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","2","","Goyal, Karan; Kukier, Garrett A.; Chen, Xiangyang; Turlik, Aneta; Houk, K. N.; Sarpong, Richmond","Rearrangement of a carboxy-substituted spiro[4.4]nonatriene to annulated fulvenes through a Pd(ii)-mediated 1,5-vinyl shift.","Chemical science","2023","14","42","11809","11817","10.1039/d3sc03222a","","x-ray","1.54184","CuKα","","0.0533","0.0513","","","0.1356","0.1372","","","","","","1.049","","","","has coordinates,has disorder","287300","2023-11-06","06:47:26",""
"1570056","10.8691","0.0003","11.2102","0.0003","11.8287","0.0003","71.074","0.001","84.694","0.001","73.669","0.001","1308.34","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Cl2 N5 O4 Ru -","- C26 H19 Cl2 N5 O4 Ru -","- C52 H38 Cl4 N10 O8 Ru2 -","2","1","","Han, Wang-Kang; Liu, Yong; Feng, Jing-Dong; Yan, Xiaodong; Pang, Huan; Gu, Zhi-Guo","Engineering a molecular ruthenium catalyst into three-dimensional metal covalent organic frameworks for efficient water oxidation.","Chemical science","2023","14","42","11768","11774","10.1039/d3sc03681b","","","0.71073","MoKα","","0.0343","0.0302","","","0.0747","0.078","","","","","","1.045","","","","has coordinates,has disorder","287305","2023-11-06","06:50:34",""
"1570057","12.1419","0.0005","14.3036","0.0006","31.1469","0.0013","83.406","0.002","80.168","0.002","65.193","0.002","4832.5","0.4","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 Cl2 N10 O2 Ru -","- C54 H50.5 Cl2 N10 O2 Ru -","- C216 H202 Cl8 N40 O8 Ru4 -","4","2","","Han, Wang-Kang; Liu, Yong; Feng, Jing-Dong; Yan, Xiaodong; Pang, Huan; Gu, Zhi-Guo","Engineering a molecular ruthenium catalyst into three-dimensional metal covalent organic frameworks for efficient water oxidation.","Chemical science","2023","14","42","11768","11774","10.1039/d3sc03681b","","x-ray","1.34139","GaKα","","0.0939","0.0675","","","0.1807","0.1958","","","","","","1.04","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1570058","5.9394","0.0001","17.7242","0.0004","25.3518","0.0006","90","","95.735","0.001","90","","2655.45","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 S2 -","- C16 H14 S2 -","- C128 H112 S16 -","8","2","","Hauk, Pascal; Mazan, Valérie; Gallou, Fabrice; Wencel-Delord, Joanna","Micellar catalysis: a green solution to enable undirected and mild C-H activation of (oligo)thiophenes at the challenging β-position.","Chemical science","2023","14","43","12049","12055","10.1039/d3sc03708h","","","0.71073","MoKα","","0.0357","0.0321","","","0.0874","0.0907","","","","","","1.043","","","","has coordinates","288077","2023-12-06","14:29:42",""
"1570059","10.9891","0.0002","19.987","0.0003","12.3245","0.0002","90","","90","","90","","2706.94","0.08","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H43 Li O8 Si Te -","- C20 H43 Li O8 Si Te -","- C80 H172 Li4 O32 Si4 Te4 -","4","0.5","","Senthil, Shuruthi; Kwon, Seongyeon; Kong, Richard Y.; MacMillan, Samantha N.; Zatsepin, Pavel; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Lancaster, Kyle M.; Mindiola, Daniel J.","Tellurolate: an effective Te-atom transfer reagent to prepare the triad of group 5 metal bis(tellurides).","Chemical science","2023","14","43","12277","12282","10.1039/d3sc03470d","","x-ray","0.71073","MoKα","","0.0303","0.0242","","","0.0521","0.0536","","","","","","1.046","","","","has coordinates,has disorder","288081","2023-12-06","14:30:32",""
"1570060","11.5657","0.0002","13.6873","0.0002","14.3677","0.0002","64.365","0.002","77.801","0.001","88.853","0.001","1997.68","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H60 N Nb O2.5 P2 Te2 -","- C36 H60 N Nb O2.5 P2 Te2 -","- C72 H120 N2 Nb2 O5 P4 Te4 -","2","1","","Senthil, Shuruthi; Kwon, Seongyeon; Kong, Richard Y.; MacMillan, Samantha N.; Zatsepin, Pavel; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Lancaster, Kyle M.; Mindiola, Daniel J.","Tellurolate: an effective Te-atom transfer reagent to prepare the triad of group 5 metal bis(tellurides).","Chemical science","2023","14","43","12277","12282","10.1039/d3sc03470d","","x-ray","0.71073","MoKα","","0.0681","0.0558","","","0.1402","0.1464","","","","","","1.066","","","","has coordinates,has disorder","288081","2023-12-06","14:30:33",""
"1570061","11.5337","0.0002","13.6583","0.0003","14.3715","0.0003","64.384","0.002","77.963","0.002","88.962","0.002","1989.87","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H60 N O2.5 P2 Ta Te2 -","- C36 H60 N O2.5 P2 Ta Te2 -","- C72 H120 N2 O5 P4 Ta2 Te4 -","2","1","","Senthil, Shuruthi; Kwon, Seongyeon; Kong, Richard Y.; MacMillan, Samantha N.; Zatsepin, Pavel; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Lancaster, Kyle M.; Mindiola, Daniel J.","Tellurolate: an effective Te-atom transfer reagent to prepare the triad of group 5 metal bis(tellurides).","Chemical science","2023","14","43","12277","12282","10.1039/d3sc03470d","","x-ray","0.71073","MoKα","","0.0575","0.0485","","","0.1348","0.1396","","","","","","1.053","","","","has coordinates,has disorder","288081","2023-12-06","14:30:33",""
"1570062","11.5664","0.0016","19.025","0.002","7.3449","0.0009","90","","108.05","0.014","90","","1536.7","0.3","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H10 B F2 N3 O -","- C19 H10 B F2 N3 O -","- C76 H40 B4 F8 N12 O4 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","0.71073","MoKα","","0.1125","0.0611","","","0.1142","0.1488","","","","","","1.082","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570063","22.1078","0.0002","22.1078","0.0002","4.3558","0.0001","90","","90","","90","","2128.92","0.06","100","2","100","0.1","","","","","","","","6","I -4 2 d","I -4 2bw","122","","2,4,5,7-Tetrafluoro-3,6-diaza-9-hydroxy-9-borafluorene","","- C10 H5 B F4 N2 O2 -","- C10 H5 B F4 N2 O2 -","- C80 H40 B8 F32 N16 O16 -","8","0.5","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0268","0.0261","","","0.0685","0.0689","","","","","","1.046","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570064","9.4037","0.0004","9.4998","0.0005","13.2405","0.0006","79.331","0.004","74.069","0.004","80.373","0.004","1109.21","0.09","100","2","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H17 B F2 N4 O -","- C29 H17 B F2 N4 O -","- C58 H34 B2 F4 N8 O2 -","2","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","0.71073","MoKα","","0.0662","0.0513","","","0.1097","0.1187","","","","","","1.048","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570065","13.6135","0.0002","6.8322","0.0001","20.0023","0.0003","90","","97.479","0.001","90","","1844.59","0.05","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 B F2 N3 O -","- C23 H14 B F2 N3 O -","- C92 H56 B4 F8 N12 O4 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0439","0.0384","","","0.1071","0.1132","","","","","","1.038","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570066","6.9943","0.0001","20.8883","0.0002","12.2162","0.0001","90","","96.442","0.001","90","","1773.51","0.03","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H12 B F2 N3 O2 -","- C23 H12 B F2 N3 O2 -","- C92 H48 B4 F8 N12 O8 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0367","0.0349","","","0.0891","0.0905","","","","","","1.04","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570067","18.0134","0.0002","8.6183","0.0001","11.0947","0.0001","90","","113.908","0.001","90","","1574.61","0.03","100","2","100.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H12 B F2 N3 O -","- C21 H12 B F2 N3 O -","- C84 H48 B4 F8 N12 O4 -","4","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0308","0.0304","","","0.0819","0.0838","","","","","","1.055","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570068","7.7086","0.0001","10.4268","0.0001","14.8449","0.0002","72.395","0.001","76.238","0.001","71.857","0.001","1067.06","0.02","100","2","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C24 H14 B Cl2 F2 N3 O S -","- C24 H14 B Cl2 F2 N3 O S -","- C48 H28 B2 Cl4 F4 N6 O2 S2 -","2","1","","Adamek, Jan; Marek-Urban, Paulina H; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Highly electron-deficient 3,6-diaza-9-borafluorene scaffolds for the construction of luminescent chelate complexes.","Chemical science","2023","14","43","12133","12142","10.1039/d3sc03876a","","x-ray","1.54184","CuKα","","0.0312","0.0306","","","0.0836","0.084","","","","","","1.066","","","","has coordinates","288735","2024-01-06","07:19:14",""
"1570069","15.5988","0.0005","8.2297","0.0004","12.1249","0.0006","90","","101.812","0.004","90","","1523.56","0.12","295","7","295","7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F4 N2 O -","- C16 H12 F4 N2 O -","- C64 H48 F16 N8 O4 -","4","1","","Wang, Tao; Zong, Yuan-Yuan; Huang, Tao; Jin, Xiao-Ling; Wu, Li-Zhu; Liu, Qiang","Photocatalytic redox-neutral selective single C(sp<sup>3</sup>)-F bond activation of perfluoroalkyl iminosulfides with alkenes and water.","Chemical science","2023","14","41","11566","11572","10.1039/d3sc03771a","","x-ray","1.54184","CuKα","","0.1317","0.0722","","","0.2044","0.2354","","","","","","1.307","","","","has coordinates","287292","2023-11-06","06:39:17",""
"1570070","7.8066","0.0001","9.8765","0.0002","16.3671","0.0003","90","","92.361","0.001","90","","1260.86","0.04","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 F2 N2 O4 Zn -","- C30 H18 F2 N2 O4 Zn -","- C60 H36 F4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0302","0.028","","","0.0786","0.0799","","","","","","1.073","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570071","7.8873","0.0003","9.9771","0.0004","16.0181","0.0007","90","","93.433","0.002","90","","1258.24","0.09","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 F2 N2 O4 Zn -","- C30 H18 F2 N2 O4 Zn -","- C60 H36 F4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.104","0.0461","","","0.0961","0.1133","","","","","","1.012","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570072","14.98","0.003","9.8498","0.0017","16.639","0.003","90","","94.86","0.007","90","","2446.3","0.8","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C30 H18 F2 N2 O4 Zn -","- C30 H18 F2 N2 O4 Zn -","- C120 H72 F8 N8 O16 Zn4 -","4","1","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1106","0.0778","","","0.1921","0.2122","","","","","","1.041","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570073","7.621","0.0001","9.8308","0.0002","17.4204","0.0004","90","","91.107","0.001","90","","1304.9","0.04","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Br2 N2 O4 Zn -","- C30 H18 Br2 N2 O4 Zn -","- C60 H36 Br4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0665","0.0507","","","0.1234","0.1323","","","","","","1.05","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570074","7.6348","0.0001","9.8825","0.0002","17.0598","0.0004","90","","90.083","0.001","90","","1287.18","0.04","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Cl2 N2 O4 Zn -","- C30 H18 Cl2 N2 O4 Zn -","- C60 H36 Cl4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0426","0.0349","","","0.0975","0.1029","","","","","","1.048","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570075","7.7941","0.0007","19.473","0.0018","16.6246","0.0012","90","","91.402","0.003","90","","2522.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Br N2 O4 Zn -","- C30 H19 Br N2 O4 Zn -","- C120 H76 Br4 N8 O16 Zn4 -","4","1","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1259","0.0848","","","0.2115","0.2387","","","","","","1.039","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570076","7.5498","0.0003","9.7529","0.0003","17.1831","0.0006","90","","91.296","0.001","90","","1264.91","0.08","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Cl2 N2 O4 Zn -","- C30 H18 Cl2 N2 O4 Zn -","- C60 H36 Cl4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1778","0.0534","","","0.0872","0.1093","","","","","","0.986","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570077","7.7774","0.0002","19.6561","0.0005","16.5227","0.0004","90","","91.553","0.001","90","","2524.95","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Cl N2 O4 Zn -","- C30 H19 Cl N2 O4 Zn -","- C120 H76 Cl4 N8 O16 Zn4 -","4","1","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0575","0.0521","","","0.1579","0.1622","","","","","","1.084","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570078","7.5558","0.0002","9.7064","0.0002","17.3881","0.0004","90","","92.212","0.001","90","","1274.29","0.05","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Br2 N2 O4 Zn -","- C30 H18 Br2 N2 O4 Zn -","- C60 H36 Br4 N4 O8 Zn2 -","2","0.5","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0588","0.0441","","","0.1172","0.1435","","","","","","1.113","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570079","7.5165","0.0002","21.9107","0.0006","15.9258","0.0004","90","","90","","90","","2622.85","0.12","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H34 Cl4 N4 O8 Zn2 -","- C60 H34 Cl4 N4 O8 Zn2 -","- C120 H68 Cl8 N8 O16 Zn4 -","2","0.25","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.1043","0.0988","","","0.3606","0.3735","","","","","","1.819","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570080","7.6189","0.0002","19.5052","0.0006","16.425","0.0005","90","","91.019","0.001","90","","2440.5","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 F N2 O4 Zn -","- C30 H19 F N2 O4 Zn -","- C120 H76 F4 N8 O16 Zn4 -","4","1","","Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar","Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.","Chemical science","2023","14","43","12321","12330","10.1039/d3sc03079b","","","0.71073","MoKα","","0.0551","0.0525","","","0.1415","0.1432","","","","","","1.15","","","","has coordinates","288080","2023-12-06","14:30:18",""
"1570081","5.99937","0.0001","7.77287","0.00015","11.90456","0.00017","90.8904","0.0014","95.3034","0.0013","100.967","0.0015","542.354","0.016","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N O2 S -","- C11 H15 N O2 S -","- C22 H30 N2 O4 S2 -","2","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0333","0.0321","","","0.0826","0.0835","","","","","","1.087","","","","has coordinates","288737","2024-01-06","07:20:20",""
"1570082","6.3363","0.0002","21.0331","0.0007","8.3324","0.0002","90","","95.395","0.003","90","","1105.56","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O S -","- C11 H14 N2 O S -","- C44 H56 N8 O4 S4 -","4","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0438","0.0417","","","0.1036","0.105","","","","","","1.059","","","","has coordinates","288737","2024-01-06","07:20:32",""
"1570083","5.5464","0.0006","11.0627","0.001","11.4651","0.0008","70.025","0.007","84.92","0.008","76.652","0.009","643.26","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C9 H13 Br Cl N3 O2 S -","- C9 H13 Br Cl N3 O2 S -","- C18 H26 Br2 Cl2 N6 O4 S2 -","2","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0876","0.079","","","0.1741","0.1791","","","","","","1.085","","","","has coordinates,has disorder","288737","2024-01-06","07:20:35",""
"1570084","5.8837","0.0001","9.301","0.0001","14.8817","0.0002","72.84","0.001","81.889","0.001","75.062","0.001","749.973","0.019","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C32 H42 N2 O6 S2 -","2","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0407","0.0384","","","0.0996","0.1014","","","","","","1.07","","","","has coordinates","288737","2024-01-06","07:20:36",""
"1570085","6.1241","0.0002","8.1468","0.0002","11.8684","0.0004","95.121","0.003","91.181","0.003","105.039","0.003","568.98","0.03","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 N O S -","- C12 H17 N O S -","- C24 H34 N2 O2 S2 -","2","1","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0394","0.038","","","0.0972","0.0985","","","","","","1.048","","","","has coordinates","288737","2024-01-06","07:20:36",""
"1570086","14.1503","0.0002","19.7477","0.0004","25.7609","0.0004","90","","90","","90","","7198.5","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H53 N O2 S -","- C35 H53 N O2 S -","- C280 H424 N8 O16 S8 -","8","2","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0737","0.0698","","","0.1556","0.1577","","","","","","1.062","","","","has coordinates","288737","2024-01-06","07:20:36",""
"1570087","12.3174","0.0006","13.2142","0.0006","33.891","0.002","98.9882","0.0012","92.331","0.002","98.306","0.002","5380.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","bis(semiquinone) thiophene","SQ2Th","","- C108.27 H130.17 B2 Cl2.73 N12 O5.63 S Zn2 -","- C108.269 H130.173 B2 Cl2.728 N12 O5.635 S Zn2 -","- C216.538 H260.346 B4 Cl5.456 N24 O11.27 S2 Zn4 -","2","1","","Miller, Paul D.; Shultz, David A.; Mengell, Joshua; Kirk, Martin L.; Wojtas, Lukasz","Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes.","Chemical science","2023","14","43","12264","12276","10.1039/d3sc02341a","","","1.54178","CuKα","","0.0912","0.0893","","","0.2304","0.2313","","","","","","1.092","","","","has coordinates,has disorder","288078","2023-12-06","14:29:56",""
"1570088","11.4225","0.0003","14.9204","0.0004","19.1678","0.0005","86.948","0.001","83.922","0.001","73.176","0.001","3108.46","0.14","100","","100","","","","","","","","","8","P -1","-P 1","2","bis(semiquinone) bithiophene","SQ2Th2","","- C117.02 H147.5 B2 Cl7.14 N12 O9.19 S2 Zn2 -","- C117.024 H147.5 B2 Cl7.144 N12 O9.192 S2 Zn2 -","- C117.024 H147.5 B2 Cl7.144 N12 O9.192 S2 Zn2 -","1","0.5","","Miller, Paul D.; Shultz, David A.; Mengell, Joshua; Kirk, Martin L.; Wojtas, Lukasz","Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes.","Chemical science","2023","14","43","12264","12276","10.1039/d3sc02341a","","","1.54178","CuKα","","0.0461","0.0418","","","0.1154","0.1194","","","","","","1.027","","","","has coordinates,has disorder","288078","2023-12-06","14:29:57",""
"1570089","13.953","0.0004","19.5674","0.0005","25.3044","0.0006","73.786","0.001","89.414","0.001","76.8","0.001","6448","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","bis(semiquinone) terthiophene","SQ2Th3","","- C116.41 H126.41 B2 Cl19.23 N12 O4 S3 Zn2 -","- C116.408 H126.408 B2 Cl19.224 N12 O4 S3 Zn2 -","- C232.816 H252.816 B4 Cl38.448 N24 O8 S6 Zn4 -","2","1","","Miller, Paul D.; Shultz, David A.; Mengell, Joshua; Kirk, Martin L.; Wojtas, Lukasz","Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes.","Chemical science","2023","14","43","12264","12276","10.1039/d3sc02341a","","","1.54178","CuKα","","0.0639","0.0562","","","0.1486","0.1552","","","","","","1.033","","","","has coordinates,has disorder","288078","2023-12-06","14:29:57",""
"1570090","20.1526","0.00014","20.1526","0.00014","20.1526","0.00014","90","","90","","90","","8184.52","0.1","100","0.1","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C5 H4 N2 O2.25 Zn -","- C5.001 H4.0008 N2.0004 O2.2504 Zn -","- C160.032 H128.026 N64.0128 O72.0128 Zn32 -","32","0.166667","","Xie, Xiao-Jing; Wang, Ying; Cao, Qi-Yun; Krishna, Rajamani; Zeng, Heng; Lu, Weigang; Li, Dan","Surface engineering on a microporous metal-organic framework to boost ethane/ethylene separation under humid conditions.","Chemical science","2023","14","42","11890","11895","10.1039/d3sc04119k","","","1.54184","CuKα","","0.0565","0.0552","","","0.1514","0.1527","","","","","","1.098","","","","has coordinates,has disorder","287304","2023-11-06","06:49:36",""
"1570091","20.1868","0.0004","20.1868","0.0004","20.1868","0.0004","90","","90","","90","","8226.3","0.3","100","0.1","100","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C160.03 H32.01 F96.02 N64.01 O72.01 Zn32 -","- C160.032 H32.0064 F96.0192 N64.0128 O72.0128 Zn32 -","- C160.032 H32.0064 F96.0192 N64.0128 O72.0128 Zn32 -","1","0.00520833","","Xie, Xiao-Jing; Wang, Ying; Cao, Qi-Yun; Krishna, Rajamani; Zeng, Heng; Lu, Weigang; Li, Dan","Surface engineering on a microporous metal-organic framework to boost ethane/ethylene separation under humid conditions.","Chemical science","2023","14","42","11890","11895","10.1039/d3sc04119k","","","1.54184","CuKα","","0.0651","0.0642","","","0.1772","0.1786","","","","","","1.113","","","","has coordinates,has disorder","287304","2023-11-06","06:49:47",""
"1570092","20.1167","0.0005","20.1167","0.0005","20.1167","0.0005","90","","90","","90","","8140.9","0.4","100","0.4","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C4 H2 N2 O2.25 Zn -","- C4.0008 H2.0004 N2.0004 O2.2504 Zn -","- C128.026 H64.0128 N64.0128 O72.0128 Zn32 -","32","0.166667","","Xie, Xiao-Jing; Wang, Ying; Cao, Qi-Yun; Krishna, Rajamani; Zeng, Heng; Lu, Weigang; Li, Dan","Surface engineering on a microporous metal-organic framework to boost ethane/ethylene separation under humid conditions.","Chemical science","2023","14","42","11890","11895","10.1039/d3sc04119k","","","1.54184","CuKα","","0.0733","0.0672","","","0.1823","0.1921","","","","","","1.07","","","","has coordinates,has disorder","287304","2023-11-06","06:50:05",""
"1570093","10.7338","0.0008","10.8127","0.0008","11.6585","0.0009","98.341","0.003","100.448","0.003","115.303","0.003","1164.7","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Cr N2 O8 -","- C25 H27 Cr N2 O8 -","- C50 H54 Cr2 N4 O16 -","2","1","","Stühler, Merlin R.; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J.","Ring-opening terpolymerisation of phthalic thioanhydride with carbon dioxide and epoxides","Polymer Chemistry","2023","14","42","4848","4855","10.1039/D3PY01022H","","","0.71073","MoKα","","0.0607","0.0506","","","0.1328","0.1391","","","","","","1.042","","","","has coordinates","287426","2023-11-06","08:32:08",""
"1570094","17.915","0.0008","22.4618","0.0009","25.0531","0.0008","90","","90","","90","","10081.4","0.7","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C47.25 H43.5 Cl2.5 F10 Ir N4 O4 -","- C47.262 H43.527 Cl2.5 F10 Ir N4 O4 -","- C378.096 H348.216 Cl20 F80 Ir8 N32 O32 -","8","1","","Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.","Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution","Catalysis Science & Technology","2024","14","1","66","75","10.1039/D3CY00942D","","x-ray","0.71073","MoKα","","0.0918","0.0477","","","0.1185","0.1493","","","","","","1.066","","","","has coordinates,has disorder","289310","2024-02-04","10:57:35",""
"1570095","25.7551","0.0005","19.7204","0.0004","22.789","0.0004","90","","90","","90","","11574.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C53 H52 F10 Ir N5 O4 -","- C52.5 H52 F10 Ir N5 O4 -","- C420 H416 F80 Ir8 N40 O32 -","8","1","","Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.","Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution","Catalysis Science & Technology","2024","14","1","66","75","10.1039/D3CY00942D","","x-ray","0.71073","MoKα","","0.1087","0.0851","","","0.23","0.2591","","","","","","1.115","","","","has coordinates,has disorder","289310","2024-02-04","10:57:36",""
"1570101","7.5487","0.0001","11.1741","0.0002","18.1225","0.0003","90","","90","","90","","1528.63","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","1","","Liu, Juan; Du, Yi-Ying; He, Yu-Shi; Liang, Yan; Liu, Shang-Zhong; Li, Yi-Yi; Cao, Yi-Ming","Parallel kinetic resolution of aziridines <i>via</i> chiral phosphoric acid-catalyzed apparent hydrolytic ring-opening.","Chemical science","2023","14","43","12152","12159","10.1039/d3sc03899h","","","1.54178","CuKα","","0.0444","0.0429","","","0.1097","0.111","","","","","","1.089","","","","has coordinates","288730","2024-01-06","07:18:06",""
"1570102","12.9872","0.0008","12.2112","0.0007","10.7243","0.0006","90","","91.52","0.002","90","","1700.16","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 B Cl N -","- C7 H15 B Cl N -","- C56 H120 B8 Cl8 N8 -","8","2","","Zhang, Zhi-Qi; Wang, Cheng-Qiang; Li, Long-Ji; Piper, Jared L.; Peng, Zhi-Hui; Ma, Jun-An; Zhang, Fa-Guang; Wu, Jie","Programmable synthesis of difluorinated hydrocarbons from alkenes through a photocatalytic linchpin strategy.","Chemical science","2023","14","41","11546","11553","10.1039/d3sc03951j","","","0.71073","MoKα","","0.0438","0.0406","","","0.1082","0.1112","","","","","","1.06","","","","has coordinates","287293","2023-11-06","06:40:02",""
"1570103","15.6195","0.0003","5.8808","0.0001","22.113","0.0004","90","","106.446","0.002","90","","1948.09","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","","Guo, Yuan-Yang; Tian, Ze-Hua; Ma, ChunHua; Han, Yu-Chen; Bai, DaChang; Jiang, ZhiYong","Unlocking mild-condition benzene ring contraction using nonheme diiron <i>N</i>-oxygenase.","Chemical science","2023","14","42","11907","11913","10.1039/d3sc04660e","","","1.54184","CuKα","","0.0557","0.047","","","0.1186","0.125","","","","","","1.055","","","","has coordinates","287299","2023-11-06","06:47:16",""
"1570104","13.949","0.0003","7.204","0.0001","13.9933","0.0002","90","","93.396","0.002","90","","1403.7","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Guo, Yuan-Yang; Tian, Ze-Hua; Ma, ChunHua; Han, Yu-Chen; Bai, DaChang; Jiang, ZhiYong","Unlocking mild-condition benzene ring contraction using nonheme diiron <i>N</i>-oxygenase.","Chemical science","2023","14","42","11907","11913","10.1039/d3sc04660e","","","1.54184","CuKα","","0.0801","0.0716","","","0.2156","0.223","","","","","","1.097","","","","has coordinates","287299","2023-11-06","06:47:16",""
"1570105","7.3836","0.0002","17.6933","0.0006","18.4913","0.0006","90","","90","","90","","2415.71","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 N3 O2 -","- C30 H25 N3 O2 -","- C120 H100 N12 O8 -","4","1","","Wang, Cong-Shuai; Xiong, Qi; Xu, Hui; Yang, Hao-Ran; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Organocatalytic atroposelective synthesis of axially chiral <i>N</i>,<i>N</i>'-pyrrolylindoles <i>via de novo</i> indole formation.","Chemical science","2023","14","43","12091","12097","10.1039/d3sc03686c","","x-ray","1.54178","CuKα","","0.036","0.0317","","","0.0883","0.0924","","","","","","1.086","","","","has coordinates","288079","2023-12-06","14:30:03",""
"1570109","20.003","0.0017","19.6485","0.0016","33.29","0.003","90","","95.12","0.002","90","","13031.7","1.9","301.6","","301.6","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C180 H288 Cu57 F2 O42 P6 V6 -","- C180 H288 Cu57 F2 O42 P6 V6 -","- C360 H576 Cu114 F4 O84 P12 V12 -","2","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1128","0.0643","","","0.1623","0.1967","","","","","","1.049","","","","has coordinates,has disorder","288724","2024-01-06","07:15:52",""
"1570110","20.1642","0.0004","20.1642","0.0004","100.293","0.003","90","","90","","120","","35315.3","1.4","273.15","","273.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C132 H218 Cu37 O53 P6 V12 -","- C132 H218 Cu37 O53 P6 V12 -","- C792 H1308 Cu222 O318 P36 V72 -","6","0.333333","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1191","0.0671","","","0.129","0.1449","","","","","","0.976","","","","has coordinates","288724","2024-01-06","07:15:53",""
"1570111","20.0446","0.0006","19.6458","0.0006","33.3122","0.001","90","","95.159","0.001","90","","13064.9","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C180 H288 Cu57 F2 O42 P6 V6 -","- C180 H288 Cu57 F2 O42 P6 V6 -","- C360 H576 Cu114 F4 O84 P12 V12 -","2","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1686","0.0925","","","0.1752","0.1984","","","","","","1.1","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570112","17.803","0.012","20.26","0.03","25.068","0.018","89.93","0.03","76.441","0.012","63.93","0.02","7842","14","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C252 H330 Cu56 O40 P10 -","- C252 H330 Cu56 O40 P10 -","- C252 H330 Cu56 O40 P10 -","1","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","","0.71073","MoKα","","0.1626","0.0995","","","0.2653","0.3312","","","","","","1.017","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570113","33.9064","0.0018","29.8892","0.0015","25.6843","0.0013","90","","99.145","0.001","90","","25699","2","273.15","","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C192 H264 Cu56 F Na O48 P12 -","- C192 H264 Cu56 F Na O48 P12 -","- C768 H1056 Cu224 F4 Na4 O192 P48 -","4","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.2533","0.0976","","","0.1866","0.2389","","","","","","0.959","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570114","33.03","0.002","22.4133","0.0015","35.97","0.003","90","","97.72","0.002","90","","26388","3","273.15","","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C180 H288 Cu56 F K O42 P12 -","- C180 H288 Cu56 F K O42 P12 -","- C720 H1152 Cu224 F4 K4 O168 P48 -","4","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1989","0.1045","","","0.1961","0.2293","","","","","","1.082","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570115","19.933","0.002","20.066","0.003","20.977","0.003","64.034","0.003","64.514","0.003","74.588","0.003","6778.3","1.6","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C216 H276 Cu56 F Na O48 P12 -","- C216 H276 Cu56 F Na O48 P12 -","- C216 H276 Cu56 F Na O48 P12 -","1","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.2543","0.0841","","","0.1866","0.2534","","","","","","0.954","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570116","20.0489","0.0007","19.6875","0.0006","33.1286","0.001","90","","94.766","0.001","90","","13031.1","0.7","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C180 H288 Cu56 F Na O42 P12 -","- C180 H288 Cu56 F Na O42 P12 -","- C360 H576 Cu112 F2 Na2 O84 P24 -","2","0.5","","Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.","Chemical science","2023","14","44","12637","12644","10.1039/d3sc04682f","","x-ray","0.71073","MoKα","","0.1638","0.0676","","","0.1645","0.2085","","","","","","1.023","","","","has coordinates,has disorder","288724","2024-01-06","07:15:53",""
"1570117","16.5349","0.0016","10.5849","0.0009","15.6632","0.0012","90","","115.113","0.008","90","","2482.2","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 Ir O2 P2 -","- C22 H39 Ir O2 P2 -","- C88 H156 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","x-ray","0.7107","MoKα","","0.0421","0.0288","","","0.0609","0.0674","","","","1.33","1.33","1.32","","","","has coordinates","288734","2024-01-06","07:19:02",""
"1570118","10.644","0.009","10.798","0.005","16.58","0.008","88.31","","84.52","0.02","68.64","","1766.6","1.9","40","2","40","2","","","","","","","","7","P -1","-P 1","2","(p-MeOOC-[2,6-(tBu2PO)2-C6H3])IrH2-IC6F5","","","- C30 H43 F5 I Ir O4 P2 -","- C30 H43 F5 I Ir O4 P2 -","- C60 H86 F10 I2 Ir2 O8 P4 -","2","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","","","neutron","","0.1772","0.1648","","","0.3783","0.3869","","","","","","1.608","","","","has coordinates","288734","2024-01-06","07:19:02",""
"1570119","16.656","0.009","10.538","0.005","15.607","0.008","90","","114.75","0.02","90","","2488","2","10","2","10","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[2,6-(tBu2PO)2-C6H3]IrH2","","","- C22 H41 Ir O2 P2 -","- C22 H41 Ir O2 P2 -","- C88 H164 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","","","neutron","","0.0988","0.0962","","","0.2382","0.2426","","","","","","1.037","","","","has coordinates","288734","2024-01-06","07:19:03",""
"1570120","16.639","0.009","10.593","0.005","15.698","0.008","90","","114.88","0.02","90","","2510","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[2,6-(tBu2PO)2-C6H3]IrH2","","","- C22 H41 Ir O2 P2 -","- C22 H41 Ir O2 P2 -","- C88 H164 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","","","neutron","","0.1044","0.101","","","0.2501","0.2555","","","","","","1.101","","","","has coordinates","288734","2024-01-06","07:19:03",""
"1570121","16.607","0.009","10.791","0.005","15.985","0.008","90","","115.07","0.02","90","","2595","2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[2,6-(tBu2PO)2-C6H3]IrH2","","","- C22 H41 Ir O2 P2 -","- C22 H41 Ir O2 P2 -","- C88 H164 Ir4 O8 P8 -","4","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","","","neutron","","0.126","0.1241","","","0.307","0.3096","","","","","","1.469","","","","has coordinates","288734","2024-01-06","07:19:03",""
"1570122","10.62","0.0002","10.6749","0.0002","16.4369","0.0003","87.8506","0.0015","84.0788","0.0015","68.7007","0.0016","1726.87","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H41 F5 I Ir O4 P2 -","- C30 H41 F5 I Ir O4 P2 -","- C60 H82 F10 I2 Ir2 O8 P4 -","2","1","","Polukeev, Alexey V.; Capelli, Silvia C.; Wendt, Ola F.","Unravelling strong temperature-dependence of <i>J</i><sub>HD</sub> in transition metal hydrides: solvation and non-covalent interactions <i>versus</i> temperature-elastic H-H bonds.","Chemical science","2023","14","43","12308","12320","10.1039/d3sc04197b","","x-ray","0.71073","MoKα","","0.0421","0.031","","","0.0637","0.0669","","","","1.47","1.47","1.42","","","","has coordinates","288734","2024-01-06","07:19:03",""
"1570123","3.67957","0.00009","12.2687","0.0002","27.5101","0.0005","90","","90","","90","","1241.9","0.04","89.8","0.4","89.8","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 O4 -","- C18 H10 O4 -","- C72 H40 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0519","0.0377","","","0.0917","0.0969","","","","","","1.059","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570124","3.70624","0.00019","9.6097","0.0003","10.9769","0.0004","104.134","0.003","97.329","0.004","100.536","0.003","366.59","0.03","90","0.1","90","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C20 H14 O4 -","1","0.5","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0566","0.0492","","","0.1492","0.1533","","","","","","1.114","","","","has coordinates,has disorder","288731","2024-01-06","07:18:16",""
"1570125","6.17216","0.00005","7.93147","0.00008","14.13554","0.00014","76.8037","0.0008","82.2893","0.0007","87.7961","0.0007","667.609","0.011","89.8","0.4","89.8","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 F4 O4 -","- C18 H6 F4 O4 -","- C36 H12 F8 O8 -","2","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0533","0.0462","","","0.1464","0.1509","","","","","","1.078","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570126","8.08386","0.00019","6.06732","0.00018","29.2397","0.0008","90","","97.194","0.002","90","","1422.84","0.07","90","0.1","90","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H8 F4 O4 -","- C19 H8 F4 O4 -","- C76 H32 F16 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0779","0.0752","","","0.1564","0.1575","","","","","","1.284","","","","has coordinates,has disorder","288731","2024-01-06","07:18:16",""
"1570127","5.36368","0.00012","46.3905","0.0012","8.9511","0.0002","90","","93.475","0.002","90","","2223.15","0.09","89.9","0.5","89.9","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C8-BIT","3,3?-Dihydroxy-5?-octyl-2-benzo[f]indan-2?-indan-1,1?-dione","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.1019","0.0964","","","0.2036","0.2061","","","","","","1.166","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570128","27.7976","0.0005","4.71068","0.00009","10.7649","0.0002","90","","100.343","0.0018","90","","1386.71","0.05","89.8","0.5","89.8","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H2 F8 O4 -","- C18 H2 F8 O4 -","- C72 H8 F32 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0841","0.0668","","","0.1438","0.1502","","","","","","1.163","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570129","8.99456","0.00007","6.49263","0.00004","15.52347","0.00011","90","","104.184","0.0008","90","","878.909","0.011","89.9","0.4","89.9","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 O4 -","- C26 H14 O4 -","- C52 H28 O8 -","2","0.5","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","x-ray","0.71073","MoKα","","0.0325","0.0294","","","0.0933","0.0954","","","","","","1.075","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570130","10.0658","0.0001","10.9123","0.0002","11.34","0.0002","112.602","0.001","91.909","0.001","104.218","0.001","1103.3","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H23 N O4 -","- C29 H23 N O4 -","- C58 H46 N2 O8 -","2","1","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0563","0.0496","","","0.1374","0.1447","","","","","","1.036","","","","has coordinates","287302","2023-11-06","06:48:11",""
"1570131","8.5398","0.0003","10.1848","0.0005","16.9463","0.0005","95.502","0.003","95.621","0.003","113.78","0.004","1327.39","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 N O4 -","- C34 H29 N O4 -","- C68 H58 N2 O8 -","2","1","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0654","0.0619","","","0.1675","0.172","","","","","","1.055","","","","has coordinates","287302","2023-11-06","06:48:11",""
"1570132","8.6733","0.0003","17.8722","0.0004","19.6955","0.0005","66.991","0.002","86.552","0.002","87.993","0.002","2804.82","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H25 Br O6 -","- C34 H25 Br O6 -","- C136 H100 Br4 O24 -","4","2","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0812","0.0746","","","0.2185","0.2223","","","","","","1.096","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1570133","20.38188","0.00012","10.2892","0.00005","21.05443","0.00011","90","","90","","90","","4415.39","0.04","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H23 N O4 -","- C29 H23 N O4 -","- C232 H184 N8 O32 -","8","2","","Zhang, Mengchu; Zhang, Tianyuan; Yu, Sifan; Qiu, Huang; Yusuf, Abdulla; Xu, Xinfang; Qian, Yu; Hu, Wenhao","Construction of 4-hydroxycoumarin derivatives with adjacent quaternary and tertiary stereocenters <i>via</i> ternary catalysis.","Chemical science","2023","14","42","11850","11857","10.1039/d3sc03452f","","x-ray","1.54184","CuKα","","0.0302","0.0297","","","0.0761","0.0766","","","","","","1.067","","","","has coordinates","287302","2023-11-06","06:48:11",""
"1570134","11.939","0.0013","12.0965","0.0011","17.2673","0.0016","103.388","0.008","108.096","0.009","95.332","0.008","2269","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H44 Cl2 N4 O3 -","- C59 H44 Cl2 N4 O3 -","- C118 H88 Cl4 N8 O6 -","2","1","","Song, Xiu-Fang; Jiang, Chenglin; Li, Nengquan; Miao, Jingsheng; Li, Kai; Yang, Chuluo","Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission.","Chemical science","2023","14","43","12246","12254","10.1039/d3sc04264b","","","0.71073","MoKα","","0.127","0.0727","","","0.1914","0.2504","","","","","","1.032","","","","has coordinates,has disorder","288726","2024-01-06","07:16:37",""
"1570135","13.0796","0.0004","32.0909","0.001","13.9618","0.0004","90","","97.426","0.002","90","","5811.1","0.3","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H53 Cl3 N6 O3 -","- C79 H53 Cl3 N6 O3 -","- C316 H212 Cl12 N24 O12 -","4","1","","Song, Xiu-Fang; Jiang, Chenglin; Li, Nengquan; Miao, Jingsheng; Li, Kai; Yang, Chuluo","Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission.","Chemical science","2023","14","43","12246","12254","10.1039/d3sc04264b","","","1.54178","CuKα","","0.1163","0.0947","","","0.2807","0.3027","","","","","","1.263","","","","has coordinates","288726","2024-01-06","07:16:37",""
"1570140","7.7425","0.0015","8.7545","0.0018","18.745","0.004","101.445","0.007","91.78","0.006","93.333","0.006","1242","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","SS-P4-3a","","- C2.08 H2.24 N0.32 O0.48 -","- C2.08 H2.24 N0.32 O0.48 -","- C52 H56 N8 O12 -","25","12.5","","Singh, Swati; Chakrabortty, Gopal; Raha Roy, Sudipta","Skeletal rearrangement through photocatalytic denitrogenation: access to C-3 aminoquinolin-2(1<i>H</i>)-ones.","Chemical science","2023","14","44","12541","12547","10.1039/d3sc04447e","","","0.71073","MoKα","","0.1437","0.063","","","0.1615","0.2106","","","","","","1.023","","","","has coordinates","288722","2024-01-06","07:14:45",""
"1570141","10.2464","0.0016","14.259","0.002","13.0316","0.0019","90","","103.321","0.004","90","","1852.7","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 B2 I2 N5 -","- C12 H23 B2 I2 N5 -","- C48 H92 B8 I8 N20 -","4","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","1.0402","synchrotron","","0.1085","0.0778","","","0.2051","0.2213","","","","","","1.017","","","","has coordinates","288727","2024-01-06","07:16:51",""
"1570142","7.6116","0.0005","7.7121","0.0007","10.8808","0.0007","102.544","0.007","91.351","0.005","112.43","0.007","572.28","0.08","120","0.1","120","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 B2 I2 N4 -","- C6 H8 B2 I2 N4 -","- C12 H16 B4 I4 N8 -","2","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","0.71073","MoKα","","0.0379","0.0294","","","0.0721","0.0744","","","","","","1.037","","","","has coordinates","288727","2024-01-06","07:16:55",""
"1570143","15.8673","0.0012","11.135","0.0008","15.4788","0.0011","90","","98.15","0.004","90","","2707.2","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 B2 I N6 -","- C9 H11 B2 I N6 -","- C72 H88 B16 I8 N48 -","8","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","0.71073","MoKα","","0.0845","0.0752","","","0.171","0.1755","","","","","","1.346","","","","has coordinates","288727","2024-01-06","07:17:09",""
"1570144","11.6629","0.0009","8.3625","0.0007","19.7736","0.0018","90","","90","","90","","1928.5","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H24 B2 N6 -","- C20 H24 B2 N6 -","- C80 H96 B8 N24 -","4","1","","Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.","Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.","Chemical science","2023","14","43","12041","12048","10.1039/d3sc04269c","","","0.6889","synchrotron","","0.0692","0.054","","","0.1396","0.1483","","","","","","0.983","","","","has coordinates","288727","2024-01-06","07:17:13",""
"1570153","8.9467","0.0004","10.7344","0.0004","12.9509","0.0005","90","","101.742","0.004","90","","1217.74","0.09","169.98","0.1","170.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cl F8 N O2 S -","- C8 H4 Cl F8 N O2 S -","- C32 H16 Cl4 F32 N4 O8 S4 -","4","1","","Yasuo, Eisuke; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi","Fluoroalkylated hypervalent sulfur fluorides: radical addition of arylchlorotetrafluoro-λ<sup>6</sup>-sulfanes to tetrafluoroethylene.","Chemical science","2023","14","43","12379","12385","10.1039/d3sc04837c","","","0.71073","MoKα","","0.0639","0.0541","","","0.1321","0.1402","","","","","","1.057","","","","has coordinates,has disorder","288725","2024-01-06","07:16:26",""
"1570158","9.478","0.0007","13.1121","0.001","15.943","0.0011","90","","91.183","0.002","90","","1980.9","0.3","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 B F3 O P -","- C18 H33 B F3 O P -","- C72 H132 B4 F12 O4 P4 -","4","1","","Leung, Vincent Ming-Yau; Wong, Hong-Chai Fabio; Pook, Chun-Man; Tse, Ying-Lung Steve; Yeung, Ying-Yeung","Trialkylphosphonium oxoborates as C(sp<sup>3</sup>)-H oxyanion holes and their application in catalytic chemoselective acetalization.","Chemical science","2023","14","44","12684","12692","10.1039/d3sc03081d","","","0.71073","MoKα","","0.0791","0.0589","","","0.1676","0.1938","","","","","","1.065","","","","has coordinates","288076","2023-12-06","14:29:13",""
"1570159","7.4592","0.0006","11.1811","0.0009","12.5405","0.001","67.082","0.003","73.561","0.003","80.326","0.004","921.98","0.13","110","","110","","","","","","","","","4","P -1","-P 1","2","","tert-butyl 2,2-difluoro-3-hydroxy-3-phenylpropanoate","","- C20 H22 F2 O4 -","- C20 H22 F2 O4 -","- C40 H44 F4 O8 -","2","1","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.037","0.0348","","","0.0862","0.0877","","","","","","1.052","","","","has coordinates,has disorder","288765","2024-01-06","07:38:23",""
"1570160","29.2415","0.0018","7.5874","0.0005","6.0208","0.0004","90","","90","","90","","1335.82","0.15","110","","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","3,3-Difluoro-5-(4-phenoxyphenyl)dihydrofuran-2(3H)-one","","- C16 H12 F2 O3 -","- C16 H12 F2 O3 -","- C64 H48 F8 O12 -","4","1","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.0374","0.0334","","","0.0804","0.082","","","","","","1.051","","","","has coordinates","288765","2024-01-06","07:38:23",""
"1570161","31.826","0.003","5.2173","0.0004","8.1338","0.0007","90","","90","","90","","1350.6","0.2","110","","110","","","","","","","","","4","P n a 21","P 2c -2n","33","","DS-393","","- C16 H16 F2 O3 -","- C16 H16 F2 O3 -","- C64 H64 F8 O12 -","4","1","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.0392","0.039","","","0.1057","0.1058","","","","","","1.139","","","","has coordinates","288765","2024-01-06","07:38:23",""
"1570162","17.1165","0.0005","19.8953","0.0006","20.744","0.0007","89.485","0.002","71.022","0.002","89.93","0.002","6679.9","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","OGB_DS_230316_V_FeBr2","","- C28 H46 Br2 Fe P2 S -","- C28 H46 Br2 Fe P2 S -","- C224 H368 Br16 Fe8 P16 S8 -","8","4","","Sar, Dinabandhu; Yin, Shuai; Grygus, Jacob; Rentería-Gómez, Ángel; Garcia, Melanie; Gutierrez, Osvaldo","Expanding the chemical space of enol silyl ethers: catalytic dicarbofunctionalization enabled by iron catalysis.","Chemical science","2023","14","45","13007","13013","10.1039/d3sc04549h","","","1.54178","CuKα","","0.0525","0.0481","","","0.1231","0.1266","","","","","","1.024","","","","has coordinates,has disorder","288765","2024-01-06","07:38:23",""
"1570163","11.7527","0.0003","28.5642","0.0006","17.9883","0.0004","90","","106.088","0.001","90","","5802.3","0.2","170","","170","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C124 H176 Al3 O3 U3 -","- C124 H175.5 Al3 O3 U3 -","- C248 H351 Al6 O6 U6 -","2","0.5","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","1.54178","CuKα","","0.0609","0.0609","","","0.1611","0.1611","","","","","","1.199","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570164","9.6007","0.0018","12.037","0.002","16.215","0.003","97.253","0.006","97.094","0.006","99.358","0.007","1814.2","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 Ga O U -","- C39 H56 Ga O U -","- C78 H112 Ga2 O2 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0618","0.0459","","","0.0938","0.0999","","","","","","1.023","","","","has coordinates","288729","2024-01-06","07:17:59",""
"1570165","8.7245","0.0007","33.797","0.003","10.1074","0.0008","90","","111.688","0.003","90","","2769.3","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 O U -","- C30 H44 O U -","- C120 H176 O4 U4 -","4","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0327","0.0256","","","0.0557","0.0584","","","","","","1.046","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570166","9.607","0.0004","11.8205","0.0005","16.2324","0.0006","96.772","0.002","97.569","0.002","99.253","0.002","1785.19","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H59 Al O U -","- C39 H59 Al O U -","- C78 H118 Al2 O2 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0364","0.0259","","","0.0489","0.0529","","","","","","1.053","","","","has coordinates","288729","2024-01-06","07:17:59",""
"1570167","10.0045","0.0014","18.413","0.003","15.158","0.002","90","","94.813","0.002","90","","2782.5","0.7","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 I O U -","- C29 H41 I O U -","- C116 H164 I4 O4 U4 -","4","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0339","0.0264","","","0.0603","0.064","","","","","","1.133","","","","has coordinates","288729","2024-01-06","07:17:59",""
"1570168","8.9923","0.0012","17.002","0.002","19.547","0.003","108.404","0.004","95.865","0.004","90.279","0.004","2818.6","0.7","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H46 O U -","- C31 H46 O U -","- C124 H184 O4 U4 -","4","2","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.1208","0.0629","","","0.1094","0.1354","","","","","","1.045","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570169","10.0523","0.0008","11.2703","0.0009","14.4867","0.0011","91.227","0.003","106.016","0.003","95.893","0.003","1567.1","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H50 O2 U -","- C33 H50 O2 U -","- C66 H100 O4 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Huang, Patrick; Kelley, Steven P.; Walensky, Justin R.","Cooperative dihydrogen activation with unsupported uranium-metal bonds and characterization of a terminal U(iv) hydride.","Chemical science","2023","14","43","12255","12263","10.1039/d3sc04857h","","","0.71073","MoKα","","0.0474","0.0336","","","0.0688","0.0754","","","","","","1.082","","","","has coordinates,has disorder","288729","2024-01-06","07:17:59",""
"1570170","6.4333","0.0002","11.2099","0.0003","15.6487","0.0005","90","","90","","90","","1128.53","0.06","101","3","101","3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 B F2 N O -","- C11 H14 B F2 N O -","- C44 H56 B4 F8 N4 O4 -","4","1","","Shinde, Ganesh H.; Ghotekar, Ganesh S.; Amombo Noa, Francoise M.; Öhrström, Lars; Norrby, Per-Ola; Sundén, Henrik","Regioselective <i>ortho</i> halogenation of <i>N</i>-aryl amides and ureas <i>via</i> oxidative halodeboronation: harnessing boron reactivity for efficient C-halogen bond installation.","Chemical science","2023","14","46","13429","13436","10.1039/d3sc04628a","","","1.54184","CuKα","","0.1","0.0921","","","0.2193","0.2244","","","","","","1.073","","","","has coordinates,has disorder","288740","2024-01-06","07:21:52",""
"1570171","6.748","0.0007","13.0022","0.0013","10.0405","0.0011","90","","96.872","0.003","90","","874.61","0.16","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C38 H38 Br2 O10 -","2","1","","Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan","Enantioselective and collective total synthesis of pentacyclic 19-<i>nor</i>-clerodanes.","Chemical science","2023","14","44","12598","12605","10.1039/d3sc04335e","","","0.71073","MoKα","","0.0366","0.0314","","","0.0782","0.0816","","","","","","1.017","","","","has coordinates","288721","2024-01-06","07:14:37",""
"1570172","6.9574","0.0001","10.4076","0.0002","22.6105","0.0004","90","","90","","90","","1637.22","0.05","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan","Enantioselective and collective total synthesis of pentacyclic 19-<i>nor</i>-clerodanes.","Chemical science","2023","14","44","12598","12605","10.1039/d3sc04335e","","x-ray","1.54184","CuKα","","0.0353","0.033","","","0.0835","0.0847","","","","","","1.063","","","","has coordinates","288721","2024-01-06","07:14:37",""
"1570173","6.6884","0.0001","7.0394","0.0002","35.4914","0.0007","90","","90","","90","","1671.02","0.06","172.95","0.13","172.95","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan","Enantioselective and collective total synthesis of pentacyclic 19-<i>nor</i>-clerodanes.","Chemical science","2023","14","44","12598","12605","10.1039/d3sc04335e","","x-ray","1.54184","CuKα","","0.0358","0.034","","","0.0857","0.087","","","","","","1.047","","","","has coordinates","288721","2024-01-06","07:14:37",""
"1570174","5.7657","0.0002","8.4827","0.0004","12.1582","0.0005","90","","99.606","0.004","90","","586.3","0.04","571","2","571","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 F O2 -","- C13 H15 F O2 -","- C26 H30 F2 O4 -","2","1","","Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng","Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.","Chemical science","2023","14","44","12676","12683","10.1039/d3sc04474b","","","1.54184","CuKα","","0.0419","0.0387","","","0.1043","0.1069","","","","","","1.128","","","","has coordinates","288720","2024-01-06","07:14:27",""
"1570175","9.6128","0.0003","10.2795","0.0003","12.5045","0.0003","103.159","0.002","96.871","0.002","116.633","0.003","1040.05","0.06","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H17 F O4 S3 -","- C21 H17 F O4 S3 -","- C42 H34 F2 O8 S6 -","2","2","","Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng","Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.","Chemical science","2023","14","44","12676","12683","10.1039/d3sc04474b","","","1.54184","CuKα","","0.0555","0.0531","","","0.1505","0.1541","","","","","","1.054","","","","has coordinates","299663","2025-05-14","10:18:00",""
"1570176","9.1305","0.0002","10.8099","0.0001","23.076","0.0003","90","","97.439","0.001","90","","2258.43","0.06","297.96","0.14","297.96","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 F2 O4 S2 -","- C24 H20 F2 O4 S2 -","- C96 H80 F8 O16 S8 -","4","2","","Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng","Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.","Chemical science","2023","14","44","12676","12683","10.1039/d3sc04474b","","x-ray","1.54184","CuKα","","0.0397","0.0359","","","0.0942","0.0968","","","","","","1.034","","","","has coordinates","288720","2024-01-06","07:14:28",""
"1570178","5.9679","0.0008","9.6419","0.0013","12.2058","0.0016","73.039","0.005","89.8","0.005","81.559","0.005","663.94","0.15","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0631","0.059","","","0.1599","0.1708","","","","","","1.036","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570179","24.9493","0.0004","17.2771","0.0003","10.1867","0.0001","90","","90","","90","","4390.99","0.11","298","2","298","","","","","","","","","3","C m c e","-C 2ac 2","64","","","","- C72 F8 I4 -","- C72 F8 I4 -","- C288 F32 I16 -","4","0.25","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0554","0.0434","","","0.1103","0.1282","","","","","","1.094","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570180","6.1992","0.0003","9.2122","0.0005","12.9134","0.0007","107.15","0.002","94.642","0.002","97.251","0.002","693.58","0.06","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H5 F4 I2 -","- C14 H5 F4 I2 -","- C28 H10 F8 I4 -","2","1","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.055","0.0482","","","0.1146","0.1207","","","","","","1.131","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570181","5.1812","0.0002","15.4603","0.0005","17.4682","0.0006","72.718","0.003","87.214","0.003","81.882","0.003","1322.66","0.08","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H20 F12 I6 -","- C66 H20 F12 I6 -","- C66 H20 F12 I6 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","x-ray","0.6889","synchrotron","","0.0843","0.0698","","","0.1955","0.207","","","","","","1.052","","","","has coordinates,has disorder","288770","2024-01-06","07:39:35",""
"1570182","6.0403","0.0001","12.6794","0.0003","13.4013","0.0004","88.433","0.002","79.59","0.002","84.594","0.002","1004.93","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H5 F8 I2 N2 -","- C20 H5 F8 I2 N2 -","- C40 H10 F16 I4 N4 -","2","1","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0656","0.0492","","","0.1466","0.1699","","","","","","1.09","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570183","5.9146","0.0008","9.8631","0.0014","17.982","0.0018","94.026","0.005","97.548","0.005","105.52","0.006","995.9","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H5 F8 I2 N2 -","- C19 H5 F8 I2 N2 -","- C38 H10 F16 I4 N4 -","2","1","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.1068","0.0827","","","0.2207","0.2396","","","","","","1.073","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570184","5.7028","0.0006","10.2278","0.0012","14.3969","0.0015","104.396","0.006","97.493","0.005","95.668","0.006","798.86","0.15","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H12 F8 I4 -","- C36 H12 F8 I4 -","- C36 H12 F8 I4 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0889","0.0697","","","0.1745","0.1923","","","","","","1.085","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570185","5.6444","0.0007","5.6487","0.0007","10.5675","0.0013","90.233","0.007","90.118","0.007","100.763","0.008","331","0.07","180","2","180","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H6 F4 I2 -","- C12 H6 F4 I2 -","- C12 H6 F4 I2 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0959","0.091","","","0.2171","0.2304","","","","","","1.086","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570186","19.1824","0.0019","5.9202","0.0007","8.9814","0.0009","90","","90.617","0.006","90","","1019.9","0.19","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 F4 I2 -","- C24 H12 F4 I2 -","- C48 H24 F8 I4 -","2","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.0614","0.0464","","","0.0995","0.1107","","","","","","1.077","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570187","5.8113","0.0002","10.2259","0.0004","13.3298","0.0004","103.652","0.001","92.767","0.002","96.252","0.002","762.93","0.05","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H12 F8 I4 -","- C32 H12 F8 I4 -","- C32 H12 F8 I4 -","1","0.5","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","","1.54178","CuKα","","0.095","0.0857","","","0.2115","0.2304","","","","","","1.1","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570188","6.1683","0.0005","15.3618","0.0013","18.546","0.0013","94.961","0.006","93.811","0.006","97.532","0.007","1730.3","0.2","291.9","0.4","291.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C33 H12 F10 I5 -","- C33 H12 F10 I5 -","- C66 H24 F20 I10 -","2","1","","Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav","Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.","Chemical science","2023","14","45","13031","13041","10.1039/d3sc04191c","","x-ray","1.54184","CuKα","","0.1268","0.075","","","0.2011","0.2656","","","","","","1.047","","","","has coordinates","288770","2024-01-06","07:39:35",""
"1570189","18.6625","0.0003","19.1498","0.0002","19.7834","0.0003","110.096","0.0012","116.08","0.0014","96.0693","0.0011","5680.7","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C228 H126 Ag28.33 Au17.67 Cl4 F24 P2 -","- C228 H126 Ag28.324 Au17.676 Cl4 F24 P2 -","- C228 H126 Ag28.324 Au17.676 Cl4 F24 P2 -","1","0.5","","Li, Yingwei; Stec, Grant J.; Thorarinsdottir, Agnes E.; McGillicuddy, Ryan D.; Zheng, Shao-Liang; Mason, Jarad A.","The role of metal accessibility on carbon dioxide electroreduction in atomically precise nanoclusters.","Chemical science","2023","14","43","12283","12291","10.1039/d3sc04085b","","","0.71073","MoKα","","0.0456","0.0308","","","0.0554","0.0588","","","","","","1.013","","","","has coordinates,has disorder","288728","2024-01-06","07:17:37",""
"1570190","19.1204","0.0002","19.4571","0.0002","19.7081","0.0002","106.533","0.001","101.704","0.001","111.05","0.0011","6166.68","0.15","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C260 H210 Ag27 Au19 Cl4 N4 P2 -","- C260 H210 Ag26.992 Au19.008 Cl4 N4 P2 -","- C260 H210 Ag26.992 Au19.008 Cl4 N4 P2 -","1","0.5","","Li, Yingwei; Stec, Grant J.; Thorarinsdottir, Agnes E.; McGillicuddy, Ryan D.; Zheng, Shao-Liang; Mason, Jarad A.","The role of metal accessibility on carbon dioxide electroreduction in atomically precise nanoclusters.","Chemical science","2023","14","43","12283","12291","10.1039/d3sc04085b","","","0.71073","MoKα","","0.0457","0.0277","","","0.0511","0.0552","","","","","","1.004","","","","has coordinates,has disorder","288728","2024-01-06","07:17:43",""
"1570198","5.0376","0.0001","9.9157","0.0003","10.6198","0.0003","64.769","0.001","82.129","0.001","87.881","0.001","475.21","0.02","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 F2 I N -","- C9 H6 F2 I N -","- C18 H12 F4 I2 N2 -","2","1","","Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi","A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals.","Chemical science","2023","14","45","12995","13006","10.1039/d3sc03155a","","","0.71073","MoKα","","0.0167","0.0157","","","0.0401","0.0405","","","","","","1.026","","","","has coordinates","288082","2023-12-06","14:32:22",""
"1570199","5.0372","0.0001","9.9139","0.0003","10.6213","0.0003","64.766","0.001","82.107","0.001","87.905","0.001","475.11","0.02","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 F2 I N -","- C9 H6 F2 I N -","- C18 H12 F4 I2 N2 -","2","1","","Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi","A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals.","Chemical science","2023","14","45","12995","13006","10.1039/d3sc03155a","","","0.71073","MoKα","","0.0177","0.0162","","","0.0362","0.0366","","","","","","1.118","","","","has coordinates","288082","2023-12-06","14:32:26",""
"1570200","8.394","0.0007","18.3051","0.0013","13.1815","0.0009","90","","105.31","0.002","90","","1953.5","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi","A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals.","Chemical science","2023","14","45","12995","13006","10.1039/d3sc03155a","","","0.71073","MoKα","","0.0951","0.046","","","0.0976","0.1117","","","","","","1.014","","","","has coordinates","288082","2023-12-06","14:32:27",""
"1570201","8.3909","0.0005","18.323","0.0011","13.1994","0.0009","90","","105.33","0.002","90","","1957.2","0.2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Ranjan, Subham; Morioka, Ryota; Ryu, Meguya; Morikawa, Junko; Takamizawa, Satoshi","A role of intermolecular interaction modulating thermal diffusivity in organosuperelastic and organoferroelastic cocrystals.","Chemical science","2023","14","45","12995","13006","10.1039/d3sc03155a","","","0.71073","MoKα","","0.049","0.0359","","","0.0834","0.0894","","","","","","1.071","","","","has coordinates","288082","2023-12-06","14:32:27",""
"1570202","5.929","0.0019","13.676","0.004","20.842","0.006","86.336","0.014","88.961","0.014","85.079","0.015","1680.2","0.9","250","2","250","2","","","","","","","","6","P -1","-P 1","2","CCS-1-407_250K","","","- C35 H34 F3 N3 O8 S -","- C35 H34 F3 N3 O8 S -","- C70 H68 F6 N6 O16 S2 -","2","1","","Corral Suarez, Carlos; Colomer, Ignacio","Trifluoromethylarylation of alkenes using anilines.","Chemical science","2023","14","43","12083","12090","10.1039/d3sc03868h","","","0.71073","MoKα","","0.0856","0.0489","","","0.1248","0.1489","","","","","","1.049","","","","has coordinates,has disorder","288733","2024-01-06","07:18:44",""
"1570203","8.5802","0.0009","19.2499","0.0019","15.3566","0.0017","90","","94.856","0.006","90","","2527.3","0.5","260","","260","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","monoclinic","","- C31 H25 B F4 N2 -","- C31 H25 B F4 N2 -","- C124 H100 B4 F16 N8 -","4","1","","Li, Shiqing; Lv, Shihai; Yang, Yanyan; Zhu, Peiyan; Zhao, Dongbing; Zeng, Ming-Hua","Mechanistic insights into an NH<sub>4</sub>OAc-promoted imine dance in Rh-catalysed multicomponent double C-H annulations through an N-retention/exchange dual channel.","Chemical science","2023","14","46","13446","13452","10.1039/d3sc03861k","","","1.34139","GaKα","","0.1623","0.12","","","0.3367","0.3513","","","","","","1.116","","","","has coordinates,has disorder","288741","2024-01-06","07:22:03",""
"1570204","10.84837","0.00019","8.49086","0.00012","14.396","0.0003","90","","111.998","0.002","90","","1229.5","0.04","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methyl-1-(cyanomethyl)-3-phenylcyclobut-2-ene-1-carboxylate","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Xiao, Yuanjiu; Xu, Tong-Tong; Zhou, Jin-Lan; Wu, Feng; Tang, Lei; Liu, Ruo-Yi; Wu, Wen-Biao; Feng, Jian-Jun","Photochemical α-selective radical ring-opening reactions of 1,3-disubstituted acyl bicyclobutanes with alkyl halides: modular access to functionalized cyclobutenes.","Chemical science","2023","14","45","13060","13066","10.1039/d3sc04457b","","x-ray","1.54184","CuKα","","0.0507","0.0481","","","0.1412","0.1439","","","","","","1.079","","","","has coordinates","288766","2024-01-06","07:38:30",""
"1570205","34.7885","0.0007","11.2616","0.0002","20.4116","0.0004","90","","123.683","0.002","90","","6654.2","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cu2 N2 O14 -","- C26 H28 Cu2 N2 O14 -","- C208 H224 Cu16 N16 O112 -","8","1","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","0.82656","synchrotron","","0.1005","0.0797","","","0.2317","0.242","","","","","","1.083","","","","has coordinates","288768","2024-01-06","07:39:04",""
"1570206","11.306","0.004","13.0779","0.0004","14.8702","0.0003","90","","90","","108.499","0.002","2085.1","0.7","100","","100","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","","","- C21 H23 Cu N O9 -","- C21 H23 Cu N O9 -","- C84 H92 Cu4 N4 O36 -","4","1","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","0.82656","synchrotron","","0.0555","0.0485","","","0.1431","0.1483","","","","","","1.088","","","","has coordinates","288768","2024-01-06","07:39:05",""
"1570207","32.415","0.003","23.5559","0.0003","16.0326","0.0002","90","","90","","90","","12241.9","1.2","100","","100","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C23.38 H16 Cu1.23 O7.38 -","- C23.3846 H16 Cu1.23077 O7.38462 -","- C304 H208 Cu16 O96 -","13","0.8125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","0.82653","synchrotron","","0.1156","0.1077","","","0.2922","0.2957","","","","","","1.065","","","","has coordinates","288768","2024-01-06","07:39:05",""
"1570208","12.625","0.003","6.2763","0.0014","14.05","0.003","90","","95.59","0.014","90","","1108","0.4","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 F O2 -","- C13 H13 F O2 -","- C52 H52 F4 O8 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of <i>ortho</i>-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0744","0.0474","","","0.1097","0.1263","","","","","","1.023","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570209","7.9641","0.0004","20.6944","0.0009","8.0024","0.0004","90","","104.19","0.003","90","","1278.65","0.11","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F3 O2 -","- C14 H13 F3 O2 -","- C56 H52 F12 O8 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of <i>ortho</i>-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0684","0.056","","","0.1342","0.1424","","","","","","1.036","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570210","18.3768","0.0013","6.9898","0.0004","27.6891","0.0017","90","","103.554","0.007","90","","3457.6","0.4","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Cl N O -","- C9 H9 Cl N O -","- C144 H144 Cl16 N16 O16 -","16","2","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of <i>ortho</i>-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.1055","0.0719","","","0.1328","0.1447","","","","","","1.106","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570211","9.5011","0.0014","11.9938","0.0015","11.5637","0.0017","90","","109.29","0.007","90","","1243.8","0.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F O3 -","- C14 H15 F O3 -","- C56 H60 F4 O12 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of <i>ortho</i>-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0675","0.0473","","","0.1199","0.1367","","","","","","1.046","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570212","10.9193","0.0006","18.5629","0.0012","9.7993","0.0005","90","","115.272","0.003","90","","1796.16","0.18","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl2 F2 N3 O -","- C18 H17 Cl2 F2 N3 O -","- C72 H68 Cl8 F8 N12 O4 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of <i>ortho</i>-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0535","0.0404","","","0.0969","0.1041","","","","","","1.059","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570213","12.23","0.0009","6.3052","0.0005","14.0798","0.001","90","","90.886","0.005","90","","1085.6","0.14","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 F O2 -","- C13 H13 F O2 -","- C52 H52 F4 O8 -","4","1","","Denisenko, Aleksandr; Garbuz, Pavel; Makovetska, Yelyzaveta; Shablykin, Oleh; Lesyk, Dmytro; Al-Maali, Galeb; Korzh, Rodion; Sadkova, Iryna V.; Mykhailiuk, Pavel K.","1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of <i>ortho</i>-substituted benzene.","Chemical science","2023","14","48","14092","14099","10.1039/d3sc05121h","","","0.71073","MoKα","","0.0897","0.0479","","","0.0918","0.1066","","","","","","1.019","","","","has coordinates","288762","2024-01-06","07:30:58",""
"1570215","9.5321","0.0003","9.6051","0.0003","15.298","0.0005","79.403","0.002","76.551","0.002","68.694","0.002","1261.46","0.07","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N O5 P S2 -","- C25 H22 N O5 P S2 -","- C50 H44 N2 O10 P2 S4 -","2","1","","Urvashi, ?; Mishra, Sampoorna; Patil, Nitin T.","Gold-catalyzed alkenylation and arylation of phosphorothioates.","Chemical science","2023","14","45","13134","13139","10.1039/d3sc04888h","","","1.54178","CuKα","","0.1134","0.0642","","","0.1576","0.189","","","","","","1.022","","","","has coordinates","288769","2024-01-06","07:39:13",""
"1570216","6.1164","0.0002","8.8641","0.0003","34.4839","0.0011","90","","90.615","0.001","90","","1869.48","0.11","140","","140","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Br O3 P S -","- C20 H16 Br O3 P S -","- C80 H64 Br4 O12 P4 S4 -","4","1","","Urvashi, ?; Mishra, Sampoorna; Patil, Nitin T.","Gold-catalyzed alkenylation and arylation of phosphorothioates.","Chemical science","2023","14","45","13134","13139","10.1039/d3sc04888h","","","1.54178","CuKα","","0.0618","0.0379","","","0.1051","0.1944","","","","","","0.873","","","","has coordinates","288769","2024-01-06","07:39:21",""
"1570217","5.2184","0.0016","22.132","0.007","22.185","0.007","77.088","0.007","84.165","0.007","86.306","0.007","2482.2","1.3","303","2","300","","","","","","","","","6","P -1","-P 1","2","","","","- C4.09 H5.39 Br0.17 N0.26 O0.52 S0.17 -","- C4.08696 H5.3913 Br0.173913 N0.26087 O0.521739 S0.173913 -","- C94 H124 Br4 N6 O12 S4 -","23","11.5","","Kongasseri, Anju Ajayan; Ansari, Shagufi Naz; Garain, Swadhin; Wagalgave, Sopan M.; George, Subi J.","Revisiting organic charge-transfer cocrystals for wide-range tunable, ambient phosphorescence.","Chemical science","2023","14","44","12548","12553","10.1039/d3sc04001a","","","0.71073","MoKα","","0.3023","0.1649","","","0.4848","0.5345","","","","","","1.481","","","","has coordinates","288723","2024-01-06","07:14:56",""
"1570218","9.943","0.005","10.798","0.005","17.67","0.009","104.405","0.013","102.771","0.012","91.43","0.013","1785.6","1.5","302","2","302","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Br N O -","- C3.09091 H4 Br0.181818 N0.181818 O0.545455 -","- C68 H88 Br4 N4 O12 -","22","11","","Kongasseri, Anju Ajayan; Ansari, Shagufi Naz; Garain, Swadhin; Wagalgave, Sopan M.; George, Subi J.","Revisiting organic charge-transfer cocrystals for wide-range tunable, ambient phosphorescence.","Chemical science","2023","14","44","12548","12553","10.1039/d3sc04001a","","","0.71073","MoKα","","0.2519","0.1228","","","0.2796","0.346","","","","","","1.037","","","","has coordinates","288723","2024-01-06","07:14:57",""
"1570219","9.6713","0.0003","12.044","0.0004","31.4195","0.0009","90","","90","","90","","3659.8","0.2","301","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.57 H3.32 I0.15 N0.15 O0.45 -","- C2.56604 H3.32075 I0.150943 N0.150943 O0.45283 -","- C136 H176 I8 N8 O24 -","53","13.25","","Kongasseri, Anju Ajayan; Ansari, Shagufi Naz; Garain, Swadhin; Wagalgave, Sopan M.; George, Subi J.","Revisiting organic charge-transfer cocrystals for wide-range tunable, ambient phosphorescence.","Chemical science","2023","14","44","12548","12553","10.1039/d3sc04001a","","","0.71073","MoKα","","0.0628","0.039","","","0.0795","0.0925","","","","","","1.07","","","","has coordinates","288723","2024-01-06","07:14:57",""
"1570220","4.6856","0.0001","16.2628","0.0005","11.3085","0.0004","90","","90.473","0.002","90","","861.69","0.04","157","2","157","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C27 H18 -","- C27 H18 -","- C54 H36 -","2","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","1.54178","CuKα","","0.0439","0.0405","","","0.105","0.1076","","","","","","1.054","","","","has coordinates,has disorder","288771","2024-01-06","07:40:10",""
"1570221","16.8733","0.0006","15.5281","0.0006","19.2855","0.0007","90","","90","","90","","5053","0.3","140","2","140","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C55 H73 Na O10 -","- C47 H57 Na O8 -","- C188 H228 Na4 O32 -","4","0.5","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","1.54178","CuKα","","0.1277","0.0738","","","0.2201","0.2714","","","","","","1.04","","","","has coordinates,has disorder","288771","2024-01-06","07:40:21",""
"1570222","13.6941","0.0002","21.0294","0.0003","22.7326","0.0002","90","","90","","90","","6546.5","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C67 H96 Na2 O16 -","- C67 H96 Na2 O16 -","- C268 H384 Na8 O64 -","4","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","1.54178","CuKα","","0.2595","0.175","","","0.3973","0.4689","","","","","","1.278","","","","has coordinates","288771","2024-01-06","07:40:24",""
"1570223","20.9133","0.0009","9.6671","0.0003","17.8849","0.0007","90","","112.375","0.0012","90","","3343.6","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H41 Cs O6 -","- C39 H41 Cs O6 -","- C156 H164 Cs4 O24 -","4","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","x-ray","0.41329","Synchrotron","","0.0294","0.0266","","","0.0542","0.0548","","","","","","1.132","","","","has coordinates,has disorder","288771","2024-01-06","07:40:30",""
"1570224","21.0136","0.001","12.7649","0.0006","21.1357","0.001","90","","118.744","0.002","90","","4970.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H64 Cs2 O12 -","- C51 H64 Cs2 O12 -","- C204 H256 Cs8 O48 -","4","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","0.71073","MoKα","","0.0492","0.041","","","0.0731","0.0751","","","","","","1.334","","","","has coordinates,has disorder","288771","2024-01-06","07:40:31",""
"1570225","13.4467","0.0007","15.8867","0.0009","18.3239","0.001","90","","102.386","0.001","90","","3823.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C75 H111 K3 O21 -","- C71 H103 K3 O20 -","- C142 H206 K6 O40 -","2","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","x-ray","0.41328","synchrotron","","0.0953","0.0838","","","0.2536","0.2668","","","","","","1.043","","","","has coordinates,has disorder","288771","2024-01-06","07:40:33",""
"1570226","21.063","0.002","26.187","0.002","17.8488","0.0019","90","","90","","90","","9845","1.6","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- Co4 Fe2 H92 Na14 O114 W18 -","- Co4 Fe2 Na14 O114 W18 -","- Co16 Fe8 Na56 O456 W72 -","4","0.5","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","","0.71073","MoKα","","0.0819","0.0545","","","0.1078","0.1216","","","","","","1.199","","","","has coordinates","288749","2024-01-06","07:24:28",""
"1570227","12.2859","0.0006","13.663","0.0006","14.9308","0.0006","99.378","0.001","104.187","0.001","101.318","0.002","2323.17","0.18","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- Co4 Fe2 H75 Na14 O105.5 W18 -","- Co4 Fe2 H4 Na14 O105.5 W18 -","- Co4 Fe2 H4 Na14 O105.5 W18 -","1","0.5","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","","0.71073","MoKα","","0.095","0.057","","","0.125","0.1462","","","","","","1.057","","","","has coordinates,has disorder","288749","2024-01-06","07:24:29",""
"1570228","13.063","0.011","17.764","0.015","21.118","0.018","90","","93.152","0.009","90","","4893","7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Co5 H82 Na12 O109 W19 -","- Co5 Na12 O109 W19 -","- Co10 Na24 O218 W38 -","2","0.5","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","x-ray","0.71073","MoKα","","0.1152","0.057","","","0.1003","0.1167","","","","","","1.02","","","","has coordinates,has disorder","288749","2024-01-06","07:24:29",""
"1570229","26.056","0.003","20.996","0.003","17.747","0.002","90","","90","","90","","9709","2","100","2","100.01","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- Co4 Fe2 Na14 O97 W18 -","- Co4 Fe2 Na14 O95 W18 -","- Co16 Fe8 Na56 O380 W72 -","4","1","","Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang","Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.","Chemical science","2023","14","47","13722","13733","10.1039/d3sc04002j","","","0.71073","MoKα","","0.1452","0.0934","","","0.241","0.2896","","","","","","1.032","","","","has coordinates","288749","2024-01-06","07:24:29",""
"1570233","12.9649","0.0001","8.2585","0.0001","20.8574","0.0002","90","","106.928","0.001","90","","2136.45","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","2","","Rochet, Léa N C; Bahou, Calise; Wojciechowski, Jonathan P.; Koutsopetras, Ilias; Britton, Phyllida; Spears, Richard J.; Thanasi, Ioanna A.; Shao, Baihao; Zhong, Lisha; Bučar, Dejan-Krešimir; Aliev, Abil E.; Porter, Michael J.; Stevens, Molly M.; Baker, James R.; Chudasama, Vijay","Use of pyridazinediones for tuneable and reversible covalent cysteine modification applied to peptides, proteins and hydrogels.","Chemical science","2023","14","47","13743","13754","10.1039/d3sc04976k","","x-ray","1.54184","CuKα","","0.0372","0.0334","","","0.0909","0.0936","","","","","","1.045","","","","has coordinates","288752","2024-01-06","07:25:54",""
"1570235","10.1488","0.0005","13.7389","0.0007","15.2173","0.0008","68.135","0.002","83.265","0.002","86.091","0.002","1954.89","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F2 O2 S -","- C22 H22 F2 O2 S -","- C88 H88 F8 O8 S4 -","4","2","","Midya, Suparnak; Hari, Durga Prasad","A highly diastereoselective strain-release Doyle-Kirmse reaction: access to functionalized difluoro(methylene)cyclopropanes.","Chemical science","2023","14","46","13560","13567","10.1039/d3sc04749k","","","0.71073","MoKα","","0.0499","0.0358","","","0.0899","0.0983","","","","","","1.034","","","","has coordinates","288736","2024-01-06","07:20:04",""
"1570236","10.8764","0.001","12.9635","0.0012","12.9906","0.0012","90","","92.134","0.004","90","","1830.4","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 F2 O2 Se -","- C20 H18 F2 O2 Se -","- C80 H72 F8 O8 Se4 -","4","1","","Midya, Suparnak; Hari, Durga Prasad","A highly diastereoselective strain-release Doyle-Kirmse reaction: access to functionalized difluoro(methylene)cyclopropanes.","Chemical science","2023","14","46","13560","13567","10.1039/d3sc04749k","","","0.71073","MoKα","","0.0296","0.027","","","0.0662","0.0674","","","","","","1.044","","","","has coordinates","288736","2024-01-06","07:20:05",""
"1570237","8.9783","0.0006","11.208","0.0006","15.2381","0.0006","91.733","0.004","97.302","0.005","97.178","0.005","1507.38","0.14","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H15 N -","- C20 H15 N -","- C80 H60 N4 -","4","2","","Ye, Changqing; Huang, Rui; Chiou, Mong-Feng; Wang, Bo; Li, Daliang; Bao, Hongli","Synthesis of a new fluorophore: wavelength-tunable bisbenzo[<i>f</i>]isoindolylidenes.","Chemical science","2023","14","45","13151","13158","10.1039/d3sc04445a","","x-ray","1.3405","GaKα","","0.0765","0.0562","","","0.1562","0.1754","","","","","","1.0116","","","","has coordinates","288767","2024-01-06","07:38:52",""
"1570238","11.8893","0.0009","6.3212","0.0005","18.6664","0.0015","90","","92.734","0.007","90","","1401.27","0.19","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N S -","- C19 H13 N S -","- C76 H52 N4 S4 -","4","1","","Ye, Changqing; Huang, Rui; Chiou, Mong-Feng; Wang, Bo; Li, Daliang; Bao, Hongli","Synthesis of a new fluorophore: wavelength-tunable bisbenzo[<i>f</i>]isoindolylidenes.","Chemical science","2023","14","45","13151","13158","10.1039/d3sc04445a","","x-ray","1.3405","GaKα","","0.0547","0.0415","","","0.1082","0.1151","","","","","","1.086","","","","has coordinates","288767","2024-01-06","07:38:52",""
"1570239","12.4695","0.0008","5.8013","0.0003","17.378","0.001","90","","101.414","0.006","90","","1232.25","0.13","299.22","0.19","299.22","0.19","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 N2 -","- C36 H22 N2 -","- C72 H44 N4 -","2","0.5","","Ye, Changqing; Huang, Rui; Chiou, Mong-Feng; Wang, Bo; Li, Daliang; Bao, Hongli","Synthesis of a new fluorophore: wavelength-tunable bisbenzo[<i>f</i>]isoindolylidenes.","Chemical science","2023","14","45","13151","13158","10.1039/d3sc04445a","","x-ray","1.3405","GaKα","","0.0937","0.0617","","","0.1756","0.2001","","","","","","1.015","","","","has coordinates","288767","2024-01-06","07:38:52",""
"1570240","19.1849","0.0011","8.0013","0.0004","21.2949","0.0013","90","","96.72","0.005","90","","3246.4","0.3","100.01","0.13","100.01","0.13","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 N2 -","- C48 H30 N2 -","- C192 H120 N8 -","4","1","","Ye, Changqing; Huang, Rui; Chiou, Mong-Feng; Wang, Bo; Li, Daliang; Bao, Hongli","Synthesis of a new fluorophore: wavelength-tunable bisbenzo[<i>f</i>]isoindolylidenes.","Chemical science","2023","14","45","13151","13158","10.1039/d3sc04445a","","x-ray","1.3405","GaKα","","0.0778","0.0557","","","0.1406","0.1627","","","","","","1.086","","","","has coordinates","288767","2024-01-06","07:38:52",""
"1570241","9.1808","0.0005","10.1345","0.0005","13.7708","0.0007","80.343","0.001","75.323","0.001","71.008","0.001","1166.89","0.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O4 -","- C32 H28 O4 -","- C64 H56 O8 -","2","1","","Hu, Fuqiang; Zhang, Cefei; Liu, Zhihao; Xie, Xinyu; Zhao, Xiaohu; Luo, Yanju; Fu, Jielin; Li, Baolin; Hu, Changwei; Su, Zhishan; Yu, Zhipeng","Photoswitchable and long-lived seven-membered cyclic singlet diradicals for the bioorthogonal photoclick reaction.","Chemical science","2023","14","45","13254","13264","10.1039/d3sc03675h","","","0.71073","MoKα","","0.0468","0.0422","","","0.0924","0.095","","","","","","1.126","","","","has coordinates","288083","2023-12-06","14:32:38",""
"1570242","13.4416","0.0017","16.332","0.002","15.0321","0.0019","90","","99.607","0.004","90","","3253.7","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C176 H112 O24 -","8","2","","Hu, Fuqiang; Zhang, Cefei; Liu, Zhihao; Xie, Xinyu; Zhao, Xiaohu; Luo, Yanju; Fu, Jielin; Li, Baolin; Hu, Changwei; Su, Zhishan; Yu, Zhipeng","Photoswitchable and long-lived seven-membered cyclic singlet diradicals for the bioorthogonal photoclick reaction.","Chemical science","2023","14","45","13254","13264","10.1039/d3sc03675h","","","0.71073","MoKα","","0.0525","0.0376","","","0.0801","0.088","","","","","","1.063","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1570253","10.2733","0.0002","10.3627","0.0002","13.3957","0.0003","90","","90","","90","","1426.09","0.05","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0342","0.0325","","","0.0849","0.0869","","","","","","1.066","","","","has coordinates","288742","2024-01-06","07:22:18",""
"1570254","12.4675","0.0009","21.6679","0.0015","9.6367","0.0006","90","","90","","90","","2603.3","0.3","296","2","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H31 O6.5 -","- C25 H31 O6.5 -","- C100 H124 O26 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0393","0.0369","","","0.1008","0.1031","","","","","","1.045","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570255","9.1977","0.0011","9.2073","0.0011","26.829","0.003","90","","90","","90","","2272","0.5","296","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0362","0.034","","","0.0925","0.0939","","","","","","1.037","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570256","9.1292","0.0006","9.1825","0.0006","26.703","0.0016","90","","90","","90","","2238.5","0.2","200","2","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.34139","GaKα","","0.0718","0.0546","","","0.1217","0.1352","","","","","","1.072","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570257","6.7959","0.0002","10.8224","0.0003","22.5827","0.0006","90","","90","","90","","1660.91","0.08","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O7 -","- C15 H26 O7 -","- C60 H104 O28 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.052","0.0456","","","0.1139","0.12","","","","","","1.051","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570258","6.4115","0.0005","6.9501","0.0005","15.4228","0.0012","90","","100.54","0.004","90","","675.65","0.09","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C30 H36 O8 -","2","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0332","0.032","","","0.0794","0.0807","","","","","","1.059","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570259","10.4619","0.0019","10.6895","0.0019","11.617","0.002","90","","90","","90","","1299.2","0.4","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0455","0.0438","","","0.1129","0.1151","","","","","","1.053","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570260","13.0969","0.0002","13.0969","0.0002","8.2344","0.0002","90","","90","","90","","1412.44","0.05","150","","150","","","","","","","","","3","P 43","P 4cw","78","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0274","0.0273","","","0.0716","0.0716","","","","","","1.07","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570261","12.2867","0.0014","21.497","0.003","9.6289","0.0011","90","","90","","90","","2543.3","0.5","173","2","172.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C25 H31 O6.5 -","- C25 H31 O6.5 -","- C100 H124 O26 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.34139","GaKα","","0.0282","0.0278","","","0.0728","0.0733","","","","","","1.086","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570262","6.9481","0.0002","15.6259","0.0004","20.1605","0.0004","90","","90","","90","","2188.83","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0353","0.032","","","0.0738","0.0763","","","","","","1.049","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570263","14.1169","0.0007","42.662","0.004","21.4737","0.0017","90","","103.007","0.007","90","","12600.8","1.7","140.01","0.1","140.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H198 K2 N2 O31 Si6 U2 -","- C90 H198 K2 N2 O31 Si6 U2 -","- C360 H792 K8 N8 O124 Si24 U8 -","4","1","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","1.54184","CuKα","","0.2142","0.1184","","","0.2749","0.3568","","","","","","1.027","","","","has coordinates","288738","2024-01-06","07:21:15",""
"1570264","18.1765","0.0003","24.9651","0.0005","32.6981","0.0006","90","","90.4373","0.0017","90","","14837.3","0.5","140","0.1","140","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C112 H242 K2.8 N4 O42.8 Si7.2 U2.54 -","- C112 H242 K2.8 N4 O42.8 Si7.2 U2.54 -","- C448 H968 K11.2 N16 O171.2 Si28.8 U10.16 -","4","0.5","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","0.71073","MoKα","","0.1323","0.0939","","","0.2434","0.2752","","","","","","1.031","","","","has coordinates,has disorder","288738","2024-01-06","07:21:25",""
"1570265","13.8351","0.0007","31.0417","0.0009","14.2077","0.0006","90","","118.24","0.006","90","","5375.4","0.5","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H162 K O25 Si6 U2 -","- C72 H162 K O25 Si6 U2 -","- C144 H324 K2 O50 Si12 U4 -","2","1","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","0.71073","MoKα","","0.0693","0.0498","","","0.1094","0.1132","","","","","","0.969","","","","has coordinates,has disorder","288738","2024-01-06","07:21:35",""
"1570266","14.1801","0.0002","29.9313","0.0006","33.7708","0.0006","90","","93.6381","0.0018","90","","14304.4","0.4","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H206 K2.7 N4 O31 Si6 U2 -","- C97 H206 K2.7 N4 O31 Si6 U2 -","- C388 H824 K10.8 N16 O124 Si24 U8 -","4","1","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","1.54184","CuKα","","0.1299","0.0714","","","0.1696","0.2065","","","","","","1.011","","","","has coordinates,has disorder","288738","2024-01-06","07:21:36",""
"1570267","16.3644","0.0003","30.3735","0.0006","32.886","0.0006","111.001","0.0018","94.4333","0.0017","104.113","0.0018","14552.5","0.5","139.99","0.1","139.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C96 H207 K2 N6 O33 Si5 U2 -","- C96 H207 K2 N6 O33 Si5 U2 -","- C384 H828 K8 N24 O132 Si20 U8 -","4","2","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","1.54184","CuKα","","0.1068","0.0588","","","0.1401","0.1538","","","","","","0.928","","","","has coordinates","288738","2024-01-06","07:21:36",""
"1570268","13.35","0.004","13.35","0.004","7.308","0.004","90","","90","","120","","1128","0.8","293","2","293","2","","","","","","","","4","P -3","-P 3","147","Cd5P2SmCl7","","","- Cd5 Cl7 P2 Sm -","- Cd5 Cl7 P2 Sm -","- Cd15 Cl21 P6 Sm3 -","3","0.5","","Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd<sub>4</sub>P<sub>2</sub>][CdBr<sub>4</sub>].","Chemical science","2023","14","46","13568","13573","10.1039/d3sc04818g","","","0.71073","MoKα","","0.0786","0.0611","","","0.1643","0.181","","","","","","1.005","","","","has coordinates","288739","2024-01-06","07:21:43",""
"1570269","12.1965","0.0008","13.6691","0.001","7.7077","0.0007","90","","90","","90","","1284.99","0.17","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Cd5P2Br4","","","- Br4 Cd5 P2 -","- Br4 Cd5 P2 -","- Br16 Cd20 P8 -","4","1","","Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd<sub>4</sub>P<sub>2</sub>][CdBr<sub>4</sub>].","Chemical science","2023","14","46","13568","13573","10.1039/d3sc04818g","","","0.71073","MoKα","","0.0479","0.0451","","","0.132","0.1338","","","","","","0.999","","","","has coordinates","288739","2024-01-06","07:21:44",""
"1570287","13.5356","0.0006","14.1129","0.0005","17.7477","0.0006","79.806","0.003","77.865","0.003","69.445","0.004","3083.7","0.2","99.98","0.12","99.98","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C53 H18 Cl2 F40 Sb4 -","- C53 H18 Cl2 F40 Sb4 -","- C106 H36 Cl4 F80 Sb8 -","2","1","","Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid.","Chemical science","2023","14","46","13551","13559","10.1039/d3sc04594c","","x-ray","0.71073","MoKα","","0.0815","0.0543","","","0.126","0.1428","","","","","","1.057","","","","has coordinates,has disorder","288743","2024-01-06","07:22:42",""
"1570288","15.7731","0.0002","21.2235","0.0004","22.9543","0.0004","90","","102.695","0.002","90","","7496.3","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H40 Cl F40 N Sb4 -","- C68 H40 Cl F40 N Sb4 -","- C272 H160 Cl4 F160 N4 Sb16 -","4","1","","Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid.","Chemical science","2023","14","46","13551","13559","10.1039/d3sc04594c","","x-ray","0.71073","MoKα","","0.0988","0.0885","","","0.2426","0.253","","","","","","1.058","","","","has coordinates,has disorder","288743","2024-01-06","07:22:47",""
"1570289","13.1683","0.0002","15.0933","0.0002","22.5113","0.0003","72.1222","0.0014","78.1365","0.0013","83.5967","0.0013","4161.56","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H55 F40 I N Sb4 -","- C74 H58 F40 I N Sb4 -","- C148 H116 F80 I2 N2 Sb8 -","2","1","","Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid.","Chemical science","2023","14","46","13551","13559","10.1039/d3sc04594c","","x-ray","0.71073","MoKα","","0.0417","0.0337","","","0.0819","0.086","","","","","","1.05","","","","has coordinates,has disorder","288743","2024-01-06","07:22:50",""
"1570290","15.9954","0.0005","19.9387","0.0005","26.1599","0.0006","90","","103.584","0.002","90","","8109.7","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H58 Br F40 N Sb4 -","- C74 H58 Br F40 N Sb4 -","- C296 H232 Br4 F160 N4 Sb16 -","4","1","","Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid.","Chemical science","2023","14","46","13551","13559","10.1039/d3sc04594c","","","0.71073","MoKα","","0.0793","0.0539","","","0.1284","0.1455","","","","","","1.059","","","","has coordinates","288743","2024-01-06","07:22:50",""
"1570291","9.21813","0.00019","19.4553","0.0003","8.39007","0.00017","90","","108.89","0.002","90","","1423.65","0.05","100","0.13","100","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F2 N2 -","- C18 H13 F2 N2 -","- C72 H52 F8 N8 -","4","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0445","0.0375","","","0.0984","0.1028","","","","","","1.052","","","","has coordinates","288751","2024-01-06","07:25:30",""
"1570292","6.7353","0.0003","11.3696","0.0005","16.8733","0.0008","70.393","0.004","86.036","0.004","79.883","0.004","1198.2","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 F4 N3 -","- C28 H25 F4 N3 -","- C56 H50 F8 N6 -","2","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0571","0.0493","","","0.1331","0.1413","","","","","","1.034","","","","has coordinates","288751","2024-01-06","07:25:41",""
"1570293","6.6187","0.0002","9.1334","0.0003","16.8821","0.0005","95.636","0.003","94.087","0.002","94.166","0.003","1009.76","0.05","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H17 N5 -","- C26 H17 N5 -","- C52 H34 N10 -","2","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0853","0.0786","","","0.2065","0.2183","","","","","","1.051","","","","has coordinates","288751","2024-01-06","07:25:44",""
"1570294","14.0212","0.0003","8.3368","0.0002","15.4457","0.0004","90","","100.715","0.002","90","","1774","0.07","99.97","0.12","99.97","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 F4 N2 -","- C24 H10 F4 N2 -","- C96 H40 F16 N8 -","4","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0604","0.0557","","","0.1459","0.1485","","","","","","1.086","","","","has coordinates","288751","2024-01-06","07:25:44",""
"1570295","14.2576","0.0002","29.1258","0.0004","9.4692","0.0001","90","","93.636","0.001","90","","3924.3","0.09","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 N5 -","- C24 H15 N5 -","- C192 H120 N40 -","8","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0557","0.0489","","","0.142","0.1497","","","","","","1.043","","","","has coordinates","288751","2024-01-06","07:25:44",""
"1570296","9.2342","0.0003","19.7739","0.0004","8.5738","0.0003","90","","107.396","0.003","90","","1493.94","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F2 N2 -","- C18 H13 F2 N2 -","- C72 H52 F8 N8 -","4","1","","Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K.","Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state.","Chemical science","2023","14","47","13870","13878","10.1039/d3sc03267a","","x-ray","1.54184","CuKα","","0.0426","0.0379","","","0.1091","0.1132","","","","","","1.076","","","","has coordinates","288751","2024-01-06","07:25:46",""
"1570301","30.2193","0.0013","12.6557","0.0005","14.4652","0.0006","90","","115.12","0.0014","90","","5008.9","0.4","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Ir2 N6 O2 -","- C64 H50 Ir2 N6 O2 -","- C256 H200 Ir8 N24 O8 -","4","0.5","","Pander, Piotr; Zaytsev, Andrey V.; Sil, Amit; Baryshnikov, Glib V.; Siddique, Farhan; Williams, J. A. Gareth; Dias, Fernando B.; Kozhevnikov, Valery N.","Thermally activated delayed fluorescence in a deep red dinuclear iridium(iii) complex: a hidden mechanism for short luminescence lifetimes.","Chemical science","2023","14","47","13934","13943","10.1039/d3sc04450e","","x-ray","0.71073","MoKα","","0.0765","0.0416","","","0.0694","0.079","","","","","","1.03","","","","has coordinates","288747","2024-01-06","07:24:06",""
"1570312","8.4966","0.0003","24.315","0.0008","19.5124","0.0006","90","","98.653","0.002","90","","3985.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Cl4 Ge2 N P2 -","- C38 H47 Cl4 Ge2 N P2 -","- C152 H188 Cl16 Ge8 N4 P8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","1.54178","CuKα","","0.0721","0.0659","","","0.1407","0.1435","","","","","","1.174","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1570313","17.954","0.004","9.494","0.002","26.01","0.005","90","0.03","102.93","0.03","90","0.03","4321.1","1.6","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C38 H46 Cl3 F3 Ge O3 P2 S -","- C38 H46 Cl3 F3 Ge O3 P2 S -","- C152 H184 Cl12 F12 Ge4 O12 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0911","0.0484","","","0.1052","0.1234","","","","","","1.025","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570314","11.7903","0.0011","13.0614","0.0011","15.765","0.0014","70.049","0.002","85.111","0.003","75.622","0.003","2210.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H52 F6 Ge O7 P2 S2 -","- C42 H52 F6 Ge O7 P2 S2 -","- C84 H104 F12 Ge2 O14 P4 S4 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1232","0.0763","","","0.1602","0.1883","","","","","","1.03","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570315","17.3764","0.0016","9.2749","0.0009","25.485","0.002","90","","103.688","0.003","90","","3990.6","0.6","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C41 H52 F4 Ge O4 P2 S -","- C41 H52 F4 Ge O4 P2 S -","- C164 H208 F16 Ge4 O16 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","1.54178","CuKα","","0.0437","0.0307","","","0.0767","0.0789","","","","","","1.05","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570316","15.128","0.004","10.41","0.003","29.642","0.008","90","","102.314","0.008","90","","4561","2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H44 Cl F3 Ge O4 P2 S -","- C53 H44 Cl F3 Ge O4 P2 S -","- C212 H176 Cl4 F12 Ge4 O16 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0522","0.0492","","","0.1183","0.1202","","","","","","1.09","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570317","13.481","0.003","9.414","0.002","21.087","0.004","90","","96.178","0.007","90","","2660.6","1","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C53 H77 F3 Ge O7 P2 S -","- C53 H77 F3 Ge O7 P2 S -","- C106 H154 F6 Ge2 O14 P4 S2 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1244","0.0561","","","0.1493","0.1805","","","","","","1.052","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1570318","22.1656","0.0019","10.1752","0.0009","20.7492","0.0017","90","","102.393","0.003","90","","4570.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl2 Ge O2 P2 -","- C56 H52 Cl2 Ge O2 P2 -","- C224 H208 Cl8 Ge4 O8 P8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","1.54178","CuKα","","0.0413","0.0379","","","0.0978","0.1007","","","","","","1.043","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570319","21.183","0.006","14.414","0.004","16.645","0.004","90","","96.823","0.009","90","","5046","2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 Cl4 F6 Ge O6 P2 S2 -","- C52 H40 Cl4 F6 Ge O6 P2 S2 -","- C208 H160 Cl16 F24 Ge4 O24 P8 S8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0597","0.0472","","","0.1241","0.1322","","","","","","1.029","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570320","13.652","0.003","15.573","0.003","16.333","0.003","79.755","0.006","79.751","0.006","71.778","0.006","3217.8","1.1","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C66 H60 Cl4 F6 Ge N4 O6 P2 S2 -","- C66 H60 Cl4 F6 Ge N4 O6 P2 S2 -","- C132 H120 Cl8 F12 Ge2 N8 O12 P4 S4 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.129","0.0722","","","0.1826","0.2102","","","","","","1.053","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570321","11.025","0.006","13.376","0.008","14.809","0.008","99.098","0.016","91.984","0.015","102.355","0.019","2101","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H38 Ge P2 -","- C55 H38 Ge P2 -","- C110 H76 Ge2 P4 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0907","0.0525","","","0.104","0.1168","","","","","","1.018","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570322","9.896","0.005","15.315","0.008","17.58","0.008","105.27","0.013","93.87","0.014","100.521","0.014","2508","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58.01 H44 F6.03 Ge O8.03 P2 S2.01 -","- C58.012 H44 F6.036 Ge O8.036 P2 S2.012 -","- C116.024 H88 F12.072 Ge2 O16.072 P4 S4.024 -","2","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1962","0.1035","","","0.2554","0.3296","","","","","","1.041","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1570323","11.282","0.011","30.08","0.03","15.527","0.016","90","","102.04","0.03","90","","5153","9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 Cl4 F6 Ge N2 O6 P2 S2 -","- C47 H58 Cl4 F6 Ge N2 O6 P2 S2 -","- C188 H232 Cl16 F24 Ge4 N8 O24 P8 S8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1293","0.0933","","","0.2238","0.2506","","","","","","1.029","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570324","10.046","0.003","18.494","0.006","23.535","0.008","90","","97.484","0.012","90","","4335","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 F4 Ge O3 P2 S -","- C49 H36 F4 Ge O3 P2 S -","- C196 H144 F16 Ge4 O12 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.0776","0.0441","","","0.0998","0.1135","","","","","","1.05","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570325","12.221","0.003","18.49","0.004","16.895","0.004","90","","93.001","0.008","90","","3812.5","1.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Ge P2 -","- C50 H42 Ge P2 -","- C200 H168 Ge4 P8 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.044","0.0356","","","0.0901","0.0951","","","","","","1.007","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570326","12.192","0.002","21.924","0.004","18.159","0.004","90","0.03","103.59","0.03","90","0.03","4718","1.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 F3 Ge O4 P2 S -","- C55 H49 F3 Ge O4 P2 S -","- C220 H196 F12 Ge4 O16 P8 S4 -","4","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.048","0.0383","","","0.0938","0.1006","","","","","","1.054","","","","has coordinates","288746","2024-01-06","07:23:56",""
"1570327","47.155","0.009","13.05","0.003","19.811","0.004","90","","100.229","0.005","90","","11997","4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H53 Cl4 F6 Ge O7 P3 S2 -","- C58 H53 Cl4 F6 Ge O7 P3 S2 -","- C464 H424 Cl32 F48 Ge8 O56 P24 S16 -","8","1","","Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita","Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.","Chemical science","2023","14","47","13755","13764","10.1039/d3sc03717g","","","0.71073","MoKα","","0.1761","0.0992","","","0.1888","0.2198","","","","","","1.083","","","","has coordinates,has disorder","288746","2024-01-06","07:23:56",""
"1570328","6.7822","0.0001","15.6869","0.0003","6.8577","0.0001","90","","108.443","0.001","90","","692.13","0.02","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H10 F N O6 S -","- C13 H10 F N O6 S -","- C26 H20 F2 N2 O12 S2 -","2","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","<i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","single crystal","1.54178","CuKα","","0.0267","0.0264","","","0.067","0.0672","","","","","","1.067","","","","has coordinates","288744","2024-01-06","07:23:02",""
"1570329","6.4447","0.0002","9.8276","0.0003","12.3314","0.0004","90","","90","","90","","781.02","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 Br F O3 -","- C7 H6 Br F O3 -","- C28 H24 Br4 F4 O12 -","4","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","<i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","x-ray","1.54178","CuKα","","0.0139","0.0138","","","0.0351","0.0352","","","","","","1.084","","","","has coordinates","288744","2024-01-06","07:23:05",""
"1570330","8.6997","0.0004","15.8634","0.0008","6.6702","0.0004","90","","102.677","0.002","90","","898.09","0.08","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Br F O2 -","- C8 H10 Br F O2 -","- C32 H40 Br4 F4 O8 -","4","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","<i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","x-ray","1.54178","CuKα","","0.035","0.031","","","0.0694","0.0714","","","","","","1.042","","","","has coordinates","288744","2024-01-06","07:23:05",""
"1570331","7.0038","0.0001","15.9234","0.0002","28.8087","0.0004","90","","90","","90","","3212.87","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 I N2 O10 -","- C26 H33 I N2 O10 -","- C104 H132 I4 N8 O40 -","4","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","<i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","single crystal","1.54178","CuKα","","0.0305","0.0285","","","0.071","0.0721","","","","","","1.064","","","","has coordinates,has disorder","288744","2024-01-06","07:23:05",""
"1570332","3.805","","16.987","","3.023","","90","","90","","90","","195.393","","293","","293","","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Na1.96 O6 Ti2.6 -","- Na0.49 O6 Ti1.3 -","- Na0.49 O6 Ti1.3 -","1","0.125","","Ma, Xuanao; Liu, Yang; Zhang, Yunhuai; Gong, Yun","Layered sodium titanate with a matched lattice: a single ion conductor in a solid-state sodium metal battery.","Chemical science","2023","14","47","13812","13824","10.1039/d3sc04355j","","","1.5406","CuKα","","0.0757","0.0757","","0.0895","0.0895","","","","0.957","0.957","0.957","","","","","has coordinates","288745","2024-01-06","07:23:18",""
"1570333","12.7357","0.0008","9.9509","0.0006","6.8757","0.0004","90","","104.845","0.003","90","","842.28","0.09","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","difluoromesitylborane","","- C9 H11 B F2 -","- C9 H11 B F2 -","- C36 H44 B4 F8 -","4","0.5","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.0262","0.0214","","","0.0537","0.0565","","","","","","1.0718","","","","has coordinates,has disorder","288759","2024-01-06","07:30:18",""
"1570334","7.7689","0.0003","15.8453","0.0006","6.9825","0.0003","90","","106.825","0.002","90","","822.76","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","difluoro(1-naphthyl)borane","","- C10 H7 B F2 -","- C10 H7 B F2 -","- C40 H28 B4 F8 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.34139","synchrotron","","0.0581","0.0442","","","0.112","0.1197","","","","","","1.081","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570335","6.5423","0.0005","4.7676","0.0003","14.5152","0.0012","90","","102.811","0.005","90","","441.47","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-bis(difluoroboryl)-1,4-dimethylbenzene","","- C8 H8 B2 F4 -","- C8 H8 B2 F4 -","- C16 H16 B4 F8 -","2","0.5","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.3418","synchrotron","","0.0447","0.0279","","","0.0535","0.059","","","","","","1.1129","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570336","6.0599","0.0004","9.1583","0.0006","10.5791","0.0007","66.23","0.004","84.512","0.004","72.336","0.004","511.75","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","difluoro(2,3,4,5,6-pentamethylphenyl)borane","","- C11 H15 B F2 -","- C11 H15 B F2 -","- C22 H30 B2 F4 -","2","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.0585","0.0413","","","0.115","0.1294","","","","","","1.0825","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570337","8.6301","0.0003","8.5219","0.0003","13.3072","0.0005","90","","99.458","0.001","90","","965.37","0.06","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","5-acenaphthyldifluoroborane","","- C12 H9 B F2 -","- C12 H9 B F2 -","- C48 H36 B4 F8 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.0346","0.0326","","","0.0891","0.0904","","","","","","1.076","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570338","8.3362","0.001","8.4445","0.001","12.8453","0.0015","87.107","0.005","82.251","0.005","65.001","0.005","812.03","0.17","150","","150","","","","","","","","","4","P -1","-P 1","2","","(5-acenaphthyl)fluoro(mesityl)borane","","- C21 H20 B F -","- C21 H20 B F -","- C42 H40 B2 F2 -","2","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.1048","0.0691","","","0.1912","0.2144","","","","","","0.9942","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570339","6.0446","0.0002","6.0112","0.0002","14.2458","0.0005","90","","94.653","0.002","90","","515.92","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-anthryldifluoroborane","","- C14 H9 B F2 -","- C14 H9 B F2 -","- C28 H18 B2 F4 -","2","0.5","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","x-ray","1.34139","GaKα","","0.0311","0.0229","","","0.0432","0.0451","","","","","","1.2998","","","","has coordinates,has disorder","288759","2024-01-06","07:30:19",""
"1570340","10.7719","0.0003","7.1215","0.0002","20.5604","0.0006","90","","90","","90","","1577.23","0.08","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","benzo[b]thien-2-yldifluoroborane","","- C8 H5 B F2 S -","- C8 H5 B F2 S -","- C64 H40 B8 F16 S8 -","8","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.34139","GaKα","","0.0262","0.018","","","0.0361","0.0387","","","","","","1.0783","","","","has coordinates,has disorder","288759","2024-01-06","07:30:19",""
"1570341","18.0452","0.0005","7.7356","0.0002","17.4913","0.0005","90","","102.054","0.002","90","","2387.78","0.11","298","2","298.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","di-1-naphthyl(2,3,4,5,6-pentamethylphenyl)borane","","- C31 H29 B -","- C31 H29 B -","- C124 H116 B4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.1051","0.0739","","","0.2226","0.2623","","","","","","0.9991","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570342","9.2702","0.0004","10.5154","0.0004","12.0275","0.0005","90","","90","","90","","1172.44","0.08","298","2","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","boron tribromide - N,N-dimethylaniline","","- C8 H11 B Br3 N -","- C8 H11 B Br3 N -","- C32 H44 B4 Br12 N4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.032","0.0302","","","0.0713","0.0729","","","","","","1.0378","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570343","10.1157","0.0003","10.318","0.0003","12.9562","0.0004","91.817","0.002","104.952","0.002","109.094","0.002","1224.6","0.07","298.15","","298.15","","","","","","","","","3","P -1","-P 1","2","","mesityl(1-naphthyl)(2,3,4,5,6-pentamethylphenyl)borane","","- C30 H33 B -","- C30 H33 B -","- C60 H66 B2 -","2","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.0961","0.07","","","0.2195","0.2649","","","","","","1.0601","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570344","14.178","0.0003","12.384","0.0003","19.5169","0.0004","90","","90","","90","","3426.78","0.13","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","boron tribromide - N,N-dimethyl-4-trimethylsilylaniline","","- C11 H19 B Br3 N Si -","- C11 H19 B Br3 N Si -","- C88 H152 B8 Br24 N8 Si8 -","8","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.0446","0.0384","","","0.0926","0.102","","","","","","1.0599","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570345","8.6399","0.0004","25.3455","0.0011","8.6121","0.0003","90","","114.716","0.002","90","","1713.14","0.13","273","2","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","fluoro(mesityl)(2,3,4,5,6-pentamethylphenyl)borane","","- C20 H26 B F -","- C20 H26 B F -","- C80 H104 B4 F4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.34139","synchrotron","","0.0458","0.041","","","0.106","0.1093","","","","","","1.0411","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570346","31.0228","0.0011","7.557","0.0003","18.3028","0.0008","90","","97.668","0.003","90","","4252.5","0.3","298","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-bis[5-acenaphthyl(mesityl)boryl]ferrocene - fluorobenzene (1:0.5)","","- C55 H50.5 B2 F0.5 Fe -","- C52 H48 B2 Fe -","- C208 H192 B8 Fe4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.1351","0.0619","","","0.147","0.1979","","","","","","0.9696","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570347","12.1606","0.0003","15.186","0.0004","16.3042","0.0004","90","","90.497","0.0013","90","","3010.8","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 Ga N5 -","- C28 H44 Cl2 Ga N5 -","- C112 H176 Cl8 Ga4 N20 -","4","1","","Parsons, Leo W. T.; Fettinger, James C.; Berben, Louise A.","Group 13 ion coordination to pyridyl breaks the reduction potential <i>vs.</i> hydricity scaling relationship for dihydropyridinates.","Chemical science","2023","14","47","13944","13950","10.1039/d3sc03806h","","","1.54178","CuKα","","0.0473","0.0399","","","0.1048","0.1107","","","","","","1.038","","","","has coordinates,has disorder","288750","2024-01-06","07:24:44",""
"1570348","13.1613","0.0011","13.2286","0.0011","15.7223","0.0013","90","","93.54","0.002","90","","2732.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 Cl2 Ga N5 -","- C25 H38 Cl2 Ga N5 -","- C100 H152 Cl8 Ga4 N20 -","4","1","","Parsons, Leo W. T.; Fettinger, James C.; Berben, Louise A.","Group 13 ion coordination to pyridyl breaks the reduction potential <i>vs.</i> hydricity scaling relationship for dihydropyridinates.","Chemical science","2023","14","47","13944","13950","10.1039/d3sc03806h","","","0.71073","MoKα","","0.0219","0.0203","","","0.053","0.0538","","","","","","1.057","","","","has coordinates","288750","2024-01-06","07:24:47",""
"1570350","10.2398","0.0004","15.3856","0.0006","12.1399","0.0004","90","","102.111","0.003","90","","1870.02","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl2 N8 Ni2 O9 -","- C32 H52 Cl2 N8 Ni2 O9 -","- C64 H104 Cl4 N16 Ni4 O18 -","2","0.5","","Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun","Improving the potential of paraCEST through magnetic-coupling induced line sharpening.","Chemical science","2023","14","48","14157","14165","10.1039/d3sc04770a","","","0.71073","MoKα","","0.0695","0.0564","","","0.1629","0.1715","","","","","","1.055","","","","has coordinates,has disorder","288761","2024-01-06","07:30:46",""
"1570351","15.3815","0.0005","18.3733","0.0004","16.725","0.0005","90","","111.493","0.003","90","","4398","0.2","99.85","0.1","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H62 N8 Ni2 O13 -","- C38 H62 N8 Ni2 O13 -","- C152 H248 N32 Ni8 O52 -","4","0.5","","Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun","Improving the potential of paraCEST through magnetic-coupling induced line sharpening.","Chemical science","2023","14","48","14157","14165","10.1039/d3sc04770a","","","0.71073","MoKα","","0.038","0.035","","","0.0865","0.0882","","","","","","1.06","","","","has coordinates,has disorder","288761","2024-01-06","07:30:46",""
"1570352","29.4737","0.0012","14.7532","0.0005","20.5922","0.0008","90","","103.741","0.004","90","","8697.9","0.6","100","0.1","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H48 Br Ga N8 Ni O7 -","- C33 H48 Br Ga N8 Ni O7 -","- C264 H384 Br8 Ga8 N64 Ni8 O56 -","8","1","","Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun","Improving the potential of paraCEST through magnetic-coupling induced line sharpening.","Chemical science","2023","14","48","14157","14165","10.1039/d3sc04770a","","","0.71073","MoKα","","0.0646","0.0462","","","0.118","0.1254","","","","","","1.021","","","","has coordinates,has disorder","288761","2024-01-06","07:30:46",""
"1570353","13.6255","0.0005","28.1927","0.0011","22.8261","0.0009","90","","101.761","0.001","90","","8584.3","0.6","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H48 B2 F24 N2 P4 W -","- C82 H48 B2 F24 N2 P4 W -","- C328 H192 B8 F96 N8 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","x-ray","0.71073","MoKα","","0.0474","0.0349","","","0.0852","0.0926","","","","","","1.117","","","","has coordinates","288763","2024-01-06","07:31:45",""
"1570354","12.833","0.003","24.785","0.005","19.899","0.004","90","","91.015","0.007","90","","6328","2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H59 B2 F24 N4 P4 W -","- C60 H59 B2 F24 N4 P4 W -","- C240 H236 B8 F96 N16 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","x-ray","0.71073","MoKα","","0.0833","0.0625","","","0.1356","0.1437","","","","","","1.133","","","","has coordinates,has disorder","288763","2024-01-06","07:31:55",""
"1570355","15.1504","0.0009","23.4318","0.0015","19.2226","0.0011","90","","93.953","0.002","90","","6807.8","0.7","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H51 B2 F27 N5 O P4 W -","- C54 H56 B2 F24 N2 O P4 W -","- C216 H224 B8 F96 N8 O4 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","x-ray","0.71073","MoKα","","0.1065","0.0821","","","0.1939","0.2199","","","","","","1.096","","","","has coordinates","288763","2024-01-06","07:31:58",""
"1570356","10.9692","0.00003","20.0639","0.00004","20.4791","0.00004","90","","101.51","0.003","90","","4416.5","0.05","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 B F15 N2 P4 W -","- C38 H50 B F15 N2 P4 W -","- C152 H200 B4 F60 N8 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","","0.71073","MoKα","","0.0254","0.0201","","0.0737","0.051","0.0473","","","","","","0.9933","","","","has coordinates","288763","2024-01-06","07:32:01",""
"1570357","20.1462","0.0011","11.8225","0.0006","22.9963","0.0012","90","","92.163","0.002","90","","5473.3","0.5","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 B2 F24 N2 P4 W -","- C50 H50 B2 F24 N2 P4 W -","- C200 H200 B8 F96 N8 P16 W4 -","4","1","","Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine","An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide.","Chemical science","2023","14","48","14262","14270","10.1039/d3sc04390h","","x-ray","0.71073","MoKα","","0.0256","0.0217","","","0.0525","0.0541","","","","","","1.087","","","","has coordinates","288763","2024-01-06","07:32:11",""
"1570358","9.15002","0.00004","14.0725","0.00007","14.39225","0.00007","90","","90","","90","","1853.2","0.015","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F3 N O4 -","- C19 H22 F3 N O4 -","- C76 H88 F12 N4 O16 -","4","1","","Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D.","Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters.","Chemical science","2023","14","48","14146","14156","10.1039/d3sc05470e","","x-ray","1.54184","CuKα","","0.0316","0.0315","","","0.0825","0.0826","","","","","","1.105","","","","has coordinates","288753","2024-01-06","07:26:14",""
"1570359","9.32874","0.00006","14.9932","0.00009","16.18409","0.00011","90","","90","","90","","2263.63","0.03","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl F2 N2 O5 -","- C23 H21 Cl F2 N2 O5 -","- C92 H84 Cl4 F8 N8 O20 -","4","1","","Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D.","Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters.","Chemical science","2023","14","48","14146","14156","10.1039/d3sc05470e","","x-ray","1.54184","CuKα","","0.0257","0.0254","","","0.0676","0.0678","","","","","","1.047","","","","has coordinates","288753","2024-01-06","07:26:24",""
"1570360","9.9425","0.0002","18.8834","0.0003","22.242","0.0004","90","","90","","90","","4175.9","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F3 N O4 -","- C23 H22 F3 N O4 -","- C184 H176 F24 N8 O32 -","8","2","","Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D.","Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters.","Chemical science","2023","14","48","14146","14156","10.1039/d3sc05470e","","x-ray","1.54184","CuKα","","0.0263","0.0257","","","0.0673","0.0677","","","","","","1.014","","","","has coordinates","288753","2024-01-06","07:26:27",""
"1570361","8.8576","0.0001","32.2146","0.0004","31.0202","0.0003","90","","92.363","0.001","90","","8843.9","0.17","93","3","93","3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 F6 N4 O Pt2 S -","- C52 H36 F6 N4 O Pt2 S -","- C416 H288 F48 N32 O8 Pt16 S8 -","8","2","","Hashimoto, Yoshihisa; Katagiri, Yuri; Tanaka, Yuya; Yoshizawa, Michito","Solution-state mechanochromic luminescence of Pt(ii)-complexes displayed within micellar aromatic capsules.","Chemical science","2023","14","48","14211","14216","10.1039/d3sc04613c","","x-ray","1.54184","CuKα","","0.047","0.0433","","","0.1144","0.1162","","","","","","1.126","","","","has coordinates,has disorder","288758","2024-01-06","07:28:54",""
"1570363","7.948","0.002","8.256","0.002","10.775","0.003","75.188","0.008","78.772","0.008","73.732","0.008","650.4","0.3","298","2","298","","","","","","","","","5","P -1","-P 1","2","","Cobaltbromide_Pyridine3_methylpyrazole","","- C10 H11 Br2 Co N3 -","- C10 H11 Br2 Co N3 -","- C20 H22 Br4 Co2 N6 -","2","1","","Kumar, Rohit; Srivastava, Ankit Kumar; Nagarasu, Palaniyappan; Madhu, Vedichi; Balaraman, Ekambaram","A general and expedient amination of alcohols catalysed by a single-site (NN)Co(ii)-bidentate complex under solventless conditions","Catalysis Science & Technology","2024","14","1","98","109","10.1039/D3CY00809F","","","0.71073","MoKα","","0.0249","0.024","","","0.0579","0.0588","","","","","","1.075","","","","has coordinates","289311","2024-02-04","10:57:44",""
"1570370","10.8925","0.0004","19.7704","0.0007","15.6033","0.0005","90","","109.867","0.001","90","","3160.17","0.19","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H53 B O2 Sn -","- C32 H53 B O2 Sn -","- C128 H212 B4 O8 Sn4 -","4","2","","Binayeva, Meruyert; Ma, Xinghua; Ghaemimohammadi, Pejman; Biscoe, Mark R.","A general approach to stereospecific Pd-catalyzed cross-coupling reactions of benzylic stereocenters.","Chemical science","2023","14","48","14124","14130","10.1039/d3sc04519f","","","1.54178","CuKα","","0.0557","0.0553","","","0.1404","0.1407","","","","","","1.052","","","","has coordinates","288760","2024-01-06","07:30:29",""
"1570371","14.3651","0.0005","14.91024","0.00015","13.24655","0.00015","90","","117.406","0.004","90","","2518.81","0.13","293","","293","","","","","","","","","6","A 1 n 1","A -2yab","9","","","","- C16 H18 Mn N8 O6 S2 -","- C16 H18 Mn N8 O6.5 S2 -","- C64 H72 Mn4 N32 O26 S8 -","4","1","","Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz","From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry.","Chemical science","2023","14","48","14176","14181","10.1039/d3sc04401g","powder diffraction","x-ray","1.54187","CuKα","","0.0806","0.0656","","0.0545","0.0524","","","","1.5113","","","","","","","has coordinates","288755","2024-01-06","07:27:08",""
"1570372","10.4862","0.0003","15.4994","0.0003","7.56251","0.00018","90","","98.534","0.003","90","","1215.52","0.05","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Mn N6 O6 S2 -","- C16 H20 Mn N6 O6.5 S2 -","- C32 H40 Mn2 N12 O13 S4 -","2","0.5","","Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz","From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry.","Chemical science","2023","14","48","14176","14181","10.1039/d3sc04401g","powder diffraction","x-ray","1.54187","CuKα","","0.1137","0.0771","","0.0767","0.0733","","","","1.6856","","","","","","","has coordinates","288755","2024-01-06","07:27:19",""
"1570374","7.5387","0.0005","8.2803","0.0005","8.4979","0.0005","83.344","0.005","89.699","0.005","70.311","0.006","495.76","0.06","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H6.16 Cl2.84 I N2 O2 -","- C5 H6 Cl2.84 I N2 O2 -","- C10 H12 Cl5.68 I2 N4 O4 -","2","1","","Chen, Qian-Qian; Hu, Chun-Li; Zhang, Ming-Zhi; Mao, Jiang-Gao","(C<sub>5</sub>H<sub>6.16</sub>N<sub>2</sub>Cl<sub>0.84</sub>)(IO<sub>2</sub>Cl<sub>2</sub>): a birefringent crystal featuring unprecedented (IO<sub>2</sub>Cl<sub>2</sub>)<sup>-</sup> anions and π-conjugated organic cations.","Chemical science","2023","14","48","14302","14307","10.1039/d3sc05770d","","","0.71073","MoKα","","0.029","0.0239","","","0.0512","0.0536","","","","","","1.04","","","","has coordinates","288756","2024-01-06","07:27:35",""
"1570376","7.9089","0.0002","15.0721","0.0003","17.4446","0.0004","90","","90","","90","","2079.46","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O3 -","- C26 H24 O3 -","- C104 H96 O12 -","4","1","","Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming","Chiral cobalt(ii) complex-promoted asymmetric <i>para</i>-Claisen rearrangement of allyl α-naphthol ethers.","Chemical science","2023","14","47","13979","13985","10.1039/d3sc05677e","","","1.54178","CuKα","","0.0341","0.0321","","","0.0758","0.0775","","","","","","1.06","","","","has coordinates","288748","2024-01-06","07:24:15",""
"1570377","7.8307","0.0001","15.5594","0.0003","21.1844","0.0004","90","","90","","90","","2581.13","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 O3 -","- C31 H26 O3 -","- C124 H104 O12 -","4","1","","Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming","Chiral cobalt(ii) complex-promoted asymmetric <i>para</i>-Claisen rearrangement of allyl α-naphthol ethers.","Chemical science","2023","14","47","13979","13985","10.1039/d3sc05677e","","","1.54178","CuKα","","0.0722","0.0672","","","0.1655","0.1697","","","","","","1.055","","","","has coordinates,has disorder","288748","2024-01-06","07:24:15",""
"1570384","6.95","0.0004","9.8071","0.0006","11.6221","0.0005","90.667","0.004","105.074","0.004","107.794","0.005","724.72","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F4 O3 S -","- C15 H12 F4 O3 S -","- C30 H24 F8 O6 S2 -","2","1","","Mathuri, Ashis; Pal, Buddhadeb; Pramanik, Milan; Manna, Anupam; Mal, Prasenjit","Enhancing the photocatalytic efficiency and stability of CsPbBr3 nanocrystals for visible-light driven aerobic diaryl thio/seleno etherification","Catalysis Science & Technology","2024","14","1","183","189","10.1039/D3CY01478A","","x-ray","0.71073","MoKα","","0.0356","0.0313","","","0.0803","0.0827","","","","","","0.992","","","","has coordinates","289312","2024-02-04","10:57:51",""
"1570385","12.5212","0.0004","17.2596","0.0006","18.8102","0.0007","90","","98.389","0.002","90","","4021.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","PW8","","","- C39 H63 Cl N O P Pd -","- C39 H63 Cl N O P Pd -","- C156 H252 Cl4 N4 O4 P4 Pd4 -","4","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","1.54178","CuKα","","0.0481","0.0422","","","0.1132","0.1166","","","","","","1.074","","","","has coordinates,has disorder","288754","2024-01-06","07:26:44",""
"1570386","8.5537","0.0002","9.5525","0.0002","10.1463","0.0002","91.5542","0.0009","91.4639","0.0009","94.101","0.0009","826.31","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PW2","","","- C13 H30 Br P Pd -","- C13 H30 Br P Pd -","- C26 H60 Br2 P2 Pd2 -","2","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.018","0.0155","","","0.0371","0.0378","","","","","","1.057","","","","has coordinates","288754","2024-01-06","07:26:44",""
"1570387","10.33","0.0004","15.1751","0.0006","14.0651","0.0006","90","","110.126","0.0018","90","","2070.2","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PW9","","","- C16 H38 Cl P Pd Si -","- C16 H38 Cl P Pd Si -","- C64 H152 Cl4 P4 Pd4 Si4 -","4","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.0359","0.0233","","","0.0497","0.0535","","","","","","1","","","","has coordinates","288754","2024-01-06","07:26:44",""
"1570388","12.1765","0.0011","14.8521","0.0014","16.3152","0.0015","86.928","0.003","74.898","0.003","77.45","0.003","2780.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PW1","","","- C31 H48 Cl P Pd -","- C31 H48 Cl P Pd -","- C124 H192 Cl4 P4 Pd4 -","4","2","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.0745","0.0569","","","0.1174","0.1252","","","","","","1.099","","","","has coordinates","288754","2024-01-06","07:26:44",""
"1570389","31.4611","0.0009","8.1772","0.0002","23.0772","0.0006","90","","124.577","0.0009","90","","4888.3","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","PW6","","","- C21 H45 Br N O P Pd -","- C21 H45 Br N O P Pd -","- C168 H360 Br8 N8 O8 P8 Pd8 -","8","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.0278","0.0198","","","0.0422","0.0442","","","","","","1.011","","","","has coordinates,has disorder","288754","2024-01-06","07:26:44",""
"1570390","14.7317","0.0003","12.1009","0.0003","14.8868","0.0003","90","","115.664","0.001","90","","2392.03","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","PW4","","","- C21 H45 Cl N O P Pd -","- C21 H45 Cl N O P Pd -","- C84 H180 Cl4 N4 O4 P4 Pd4 -","4","1","","Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.","Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.","Chemical science","2023","14","48","14217","14228","10.1039/d3sc02588h","","","0.71073","MoKα","","0.0257","0.0186","","","0.0423","0.0448","","","","","","1.008","","","","has coordinates","288754","2024-01-06","07:26:44",""
"1570453","6.10213","0.00005","7.30975","0.00006","29.70773","0.00019","92.3183","0.0006","93.944","0.0006","114.298","0.0008","1201.43","0.018","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H37 N O4 -","- C27 H37 N O4 -","- C54 H74 N2 O8 -","2","2","","Zhang, Fan; Wang, Su-Jing; Xiao, Wen; Yu, Ming-Zhu; Sha, Feng; Wu, Ruibo; Xiang, Zheng","Harnessing the catalytic plasticity of the ent-kaurene synthase from Bradyrhizobium japonicum to produce the ent-rosane and ent-pimarane scaffolds","Catalysis Science & Technology","2024","14","2","306","314","10.1039/D3CY00115F","","","1.54184","CuKα","","0.0326","0.0322","","","0.0887","0.0891","","","","","","1.082","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1570454","39.32","0.04","32.41","0.04","37.78","0.03","90","","115.25","0.03","90","","43545","8","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C184 H210 O39 Ti8 -","- C184 H210 O39 Ti8 -","- C1472 H1680 O312 Ti64 -","8","1","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34138","GaKα","","0.2195","0.1598","","","0.3794","0.4374","","","","","","1.081","","","","has coordinates","288764","2024-01-06","07:35:58",""
"1570455","38.021","0.013","38.021","0.013","19.702","0.004","90","","90","","90","","28481","15","297","","297","","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C96 H118 Cl O16 Ti4 -","- C96 H118 Cl O16 Ti4 -","- C768 H944 Cl8 O128 Ti32 -","8","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34138","GaKα","","0.086","0.0591","","","0.1627","0.1802","","","","","","0.994","","","","has coordinates,has disorder","288764","2024-01-06","07:36:01",""
"1570456","39.278","0.007","32.838","0.006","37.8","0.006","90","","115.147","0.005","90","","44134","13","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C756 H896 Br8 O148 Ti32 -","- C756 H896 Br8 O148 Ti32 -","- C1512 H1792 Br16 O296 Ti64 -","2","0.25","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1732","0.1388","","","0.3612","0.3814","","","","","","1.206","","","","has coordinates,has disorder","288764","2024-01-06","07:36:10",""
"1570457","39.187","0.003","33.088","0.002","37.42","0.003","90","","115.189","0.003","90","","43906","6","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C376 H454 N8 Na4 O84 Ti16 -","- C376 H454 N8 Na4 O84 Ti16 -","- C1504 H1816 N32 Na16 O336 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.147","0.1148","","","0.3252","0.351","","","","","","1.205","","","","has coordinates,has disorder","288764","2024-01-06","07:36:12",""
"1570458","38.634","0.003","32.619","0.003","37.291","0.003","90","","114.837","0.002","90","","42648","6","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C360 H432 O74.81 Ti16 -","- C360 H432 O74.83 Ti16 -","- C1440 H1728 O299.32 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1727","0.1242","","","0.3362","0.3708","","","","","","0.992","","","","has coordinates","288764","2024-01-06","07:36:15",""
"1570459","37.993","0.004","33.265","0.004","37.218","0.004","90","","113.35","0.005","90","","43185","8","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C382 H479 N3 O80 Ti16 -","- C382 H479 N3 O80 Ti16 -","- C1528 H1916 N12 O320 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1283","0.092","","","0.2646","0.2941","","","","","","1.056","","","","has coordinates,has disorder","288764","2024-01-06","07:36:20",""
"1570460","37.982","0.007","33.195","0.006","36.904","0.007","90","","113.349","0.006","90","","42719","14","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C364 H502 Na4 O113 Ti16 -","- C364 H436 Na4 O80 Ti16 -","- C1456 H1744 Na16 O320 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1313","0.0929","","","0.2702","0.304","","","","","","1.046","","","","has coordinates,has disorder","288764","2024-01-06","07:36:33",""
"1570461","53.303","0.002","19.9467","0.0008","50.645","0.002","90","","121.288","0.002","90","","46016","3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C396 H484 Cl2 N4 O68 Ti16 -","- C396 H484 Cl2 N4 O68 Ti16 -","- C1584 H1936 Cl8 N16 O272 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1051","0.0929","","","0.2724","0.2872","","","","","","1.008","","","","has coordinates,has disorder","288764","2024-01-06","07:36:37",""
"1570462","39.051","0.003","32.81","0.003","37.614","0.003","90","","115.05","0.003","90","","43660","6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C380 H552 Cl4 O122 Ti16 -","- C380 H452 Cl4 O72 Ti16 -","- C1520 H1808 Cl16 O288 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","","1.34138","GaKα","","0.1794","0.1329","","","0.345","0.3742","","","","","","1.118","","","","has coordinates,has disorder","288764","2024-01-06","07:36:47",""
"1570463","39.0491","0.0014","32.3507","0.0012","37.9914","0.0014","90","","115.329","0.001","90","","43379","3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C390 H474 N2 O71 Ti16 -","- C390 H474 N2 O71 Ti16 -","- C1560 H1896 N8 O284 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1127","0.0971","","","0.2887","0.307","","","","","","1.072","","","","has coordinates,has disorder","288764","2024-01-06","07:36:50",""
"1570464","38.447","0.002","32.9077","0.0017","37.172","0.002","90","","114.933","0.002","90","","42647","4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C368 H428 N4 Na2 O70 Ti16 -","- C368 H428 N4 Na2 O70 Ti16 -","- C1472 H1712 N16 Na8 O280 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1047","0.0904","","","0.2599","0.2706","","","","","","1.048","","","","has coordinates,has disorder","288764","2024-01-06","07:36:59",""
"1570465","54.372","0.007","20.162","0.002","50.494","0.007","90","","121.984","0.004","90","","46951","10","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C382 H450 F12 N4 O72 Ti16 -","- C382 H450 F12 N4 O72 Ti16 -","- C1528 H1800 F48 N16 O288 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","","1.34138","GaKα","","0.1304","0.0902","","","0.2705","0.3036","","","","","","1.051","","","","has coordinates,has disorder","288764","2024-01-06","07:37:02",""
"1570466","37.9325","0.0016","32.9482","0.0015","37.0574","0.0016","90","","113.305","0.002","90","","42536","3","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C380 H456 O72 Ti16 -","- C380 H456 O72 Ti16 -","- C1520 H1824 O288 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.0993","0.0839","","","0.2501","0.2668","","","","","","1.077","","","","has coordinates,has disorder","288764","2024-01-06","07:37:05",""
"1570467","39.095","0.009","33.277","0.015","37.714","0.016","90","","114.888","0.009","90","","44508","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C198 H235 Na O46 Ti8 -","- C198 H235 Na O46 Ti8 -","- C1584 H1880 Na8 O368 Ti64 -","8","1","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","","1.34138","GaKα","","0.1607","0.0962","","","0.2642","0.3136","","","","","","1.014","","","","has coordinates,has disorder","288764","2024-01-06","07:37:15",""
"1570468","39.19","0.0019","32.5046","0.0016","38.1646","0.0018","90","","115.461","0.002","90","","43894","4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C396 H486 N2 O72 Ti16 -","- C396 H486 N2 O72 Ti16 -","- C1584 H1944 N8 O288 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.1168","0.0999","","","0.2974","0.3146","","","","","","1.108","","","","has coordinates,has disorder","288764","2024-01-06","07:37:25",""
"1570469","38.8238","0.0016","32.5568","0.0014","37.8922","0.0016","90","","115.418","0.002","90","","43259","3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C372 H426 N2 O76 Ti16 -","- C372 H426 N2 O76 Ti16 -","- C1488 H1704 N8 O304 Ti64 -","4","0.5","","Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao","Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction.","Chemical science","2023","14","48","14280","14289","10.1039/d3sc06046b","","x-ray","1.34139","GaKα","","0.0926","0.081","","","0.2623","0.2729","","","","","","1.096","","","","has coordinates,has disorder","288764","2024-01-06","07:37:28",""
"1570513","8.6966","0.0006","15.916","0.0012","19.1276","0.0019","90","","90","","90","","2647.5","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N2 Ni O P -","- C30 H35 N2 Ni O P -","- C120 H140 N8 Ni4 O4 P4 -","4","1","","Wang, Wenbing; Nie, Nan; Xu, Menghe; Zou, Chen","Lewis acid modulation in phosphorus phenol nickel catalyzed ethylene polymerization and copolymerization","Polymer Chemistry","2023","14","43","4933","4939","10.1039/D3PY00925D","","","0.71073","MoKα","","0.0973","0.0572","","","0.0925","0.1121","","","","","","1.043","","","","has coordinates","288067","2023-12-06","03:27:45",""
"1570514","9.1318","0.0005","9.5917","0.0004","16.6693","0.0009","96.988","0.002","92.616","0.002","104.598","0.002","1397.99","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 N2 Ni O2 P -","- C32 H37 N2 Ni O2 P -","- C64 H74 N4 Ni2 O4 P2 -","2","1","","Wang, Wenbing; Nie, Nan; Xu, Menghe; Zou, Chen","Lewis acid modulation in phosphorus phenol nickel catalyzed ethylene polymerization and copolymerization","Polymer Chemistry","2023","14","43","4933","4939","10.1039/D3PY00925D","","","0.71073","MoKα","","0.0657","0.0428","","","0.0823","0.0939","","","","","","1.045","","","","has coordinates","288067","2023-12-06","03:27:45",""
"1570515","10.4219","0.0008","12.3823","0.001","12.6499","0.0009","88.716","0.002","83.981","0.002","85.981","0.003","1619.3","0.2","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H37 N2 Ni O P -","- C40 H37 N2 Ni O P -","- C80 H74 N4 Ni2 O2 P2 -","2","1","","Wang, Wenbing; Nie, Nan; Xu, Menghe; Zou, Chen","Lewis acid modulation in phosphorus phenol nickel catalyzed ethylene polymerization and copolymerization","Polymer Chemistry","2023","14","43","4933","4939","10.1039/D3PY00925D","","","0.71073","MoKα","","0.0448","0.0353","","","0.0756","0.0818","","","","","","0.99","","","","has coordinates","288067","2023-12-06","03:27:45",""
"1570630","5.23281","0.00004","11.33461","0.00009","22.611","0.0002","90","","90","","90","","1341.1","0.019","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul","Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions","Catalysis Science & Technology","2024","14","2","478","488","10.1039/D3CY01429K","","x-ray","1.54184","CuKα","","0.0286","0.0281","","","0.0721","0.0725","","","","","","1.075","","","","has coordinates","289313","2024-02-04","10:58:23",""
"1570631","5.4042","0.0001","22.6075","0.0004","23.7568","0.0004","90","","95.144","0.002","90","","2890.81","0.09","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","4","","Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul","Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions","Catalysis Science & Technology","2024","14","2","478","488","10.1039/D3CY01429K","","x-ray","1.54184","CuKα","","0.0704","0.0601","","","0.1633","0.1738","","","","","","1.131","","","","has coordinates,has disorder","289313","2024-02-04","10:58:23",""
"1570651","13.956","0.003","13.033","0.003","23.58","0.005","90","","93.21","0.006","90","","4282.2","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 N6 O -","- C56 H40 N6 O -","- C224 H160 N24 O4 -","4","1","","Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha","Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space.","Chemical science","2023","14","47","13832","13841","10.1039/d3sc04280d","","","0.71073","MoKα","","0.1629","0.0882","","","0.1764","0.2104","","","","","","1.06","","","","has coordinates","288673","2024-01-04","10:01:09",""
"1570652","9.771","0.003","21.156","0.007","22.933","0.008","90","","90","","90","","4741","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H42 Cl2 N6 -","- C57 H42 Cl2 N6 -","- C228 H168 Cl8 N24 -","4","1","","Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha","Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space.","Chemical science","2023","14","47","13832","13841","10.1039/d3sc04280d","","","0.71073","MoKα","","0.1403","0.067","","","0.1568","0.1857","","","","","","1.039","","","","has coordinates","288674","2024-01-04","10:02:02",""
"1570653","12.415","0.002","11.6613","0.0019","17.594","0.003","90","","109.655","0.005","90","","2398.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 Cl4 N6 -","- C58 H44 Cl4 N6 -","- C116 H88 Cl8 N12 -","2","0.5","","Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha","Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space.","Chemical science","2023","14","47","13832","13841","10.1039/d3sc04280d","","","0.71073","MoKα","","0.1258","0.1161","","","0.3582","0.3634","","","","","","1.339","","","","has coordinates","288674","2024-01-04","10:02:02",""
"1570706","10.5831","0.0012","22.694","0.003","5.3843","0.0006","90","","90","","90","","1293.2","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi6 O15 Te2 -","- Bi6 O15 Te2 -","- Bi24 O60 Te8 -","4","0.5","","Kim, Sun Woo; Chang, Hong Young","Structural Analysis, Characterization, and First-Principles Calculations of Bismuth Tellurium Oxides, Bi6Te2O15","Crystals","2023","14","1","23","","10.3390/cryst14010023","","","0.71073","MoKα","","0.0475","0.0364","","","0.0744","0.0791","","","","","","1.079","","","","has coordinates","288915","2024-01-06","15:56:57",""
"1570707","5.6914","0.0006","5.6914","0.0006","7.37","0.003","90","","90","","120","","206.75","0.09","573","0.4","573","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K Na O4 S -","- K Na O4 S -","- K2 Na2 O8 S2 -","2","0.166667","","Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav","Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions","Crystals","2023","14","1","27","","10.3390/cryst14010027","","x-ray","0.71073","MoKα","","0.0718","0.057","","","0.0875","0.088","","","","4.25","4.25","3.73","","","","has coordinates","288916","2024-01-06","15:57:25",""
"1570708","5.669","0.005","5.669","0.005","7.75","0.003","90","","90","","120","","215.7","0.3","773","0.6","773","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K Na O4 S -","- K Na O3.9999 S -","- K2 Na2 O7.9998 S2 -","2","0.0833333","","Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav","Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions","Crystals","2023","14","1","27","","10.3390/cryst14010027","","x-ray","0.71073","MoKα","","0.1185","0.0559","","","0.0591","0.0665","","","","2.74","2.74","1.74","","","","has coordinates","288917","2024-01-06","15:58:04",""
"1570709","5.654","0.002","5.654","0.002","8.353","0.004","90","","90","","120","","231.25","0.16","1023","","1023","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K Na O4 S -","- K Na O4.0005 S -","- K2 Na2 O8.001 S2 -","2","0.0833333","","Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav","Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions","Crystals","2023","14","1","27","","10.3390/cryst14010027","","x-ray","0.71073","MoKα","","0.2826","0.0476","","","0.0469","0.1026","","","","1.35","1.35","1.16","","","","has coordinates","288918","2024-01-06","15:58:44",""
"1570896","8.566","0.003","9.831","0.004","11.508","0.004","75.764","0.004","79.755","0.004","88.092","0.004","924.3","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","1","0.5","","Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi","Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6","Crystals","2024","14","1","87","","10.3390/cryst14010087","","","0.71073","MoKα","","0.0579","0.0489","","","0.1277","0.1343","","","","","","1.088","","","","has coordinates","289653","2024-02-04","18:12:23",""
"1570897","8.724","0.003","9.687","0.003","11.556","0.004","77.799","0.004","78.954","0.004","88.451","0.004","936.8","0.5","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","1","0.5","","Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi","Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6","Crystals","2024","14","1","87","","10.3390/cryst14010087","","","0.71073","MoKα","","0.0947","0.07","","","0.1738","0.1918","","","","","","1.054","","","","has coordinates","289654","2024-02-04","18:12:34",""
"1570946","13.2667","0.0011","13.8534","0.0012","22.0429","0.0019","90","","93.349","0.002","90","","4044.3","0.6","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 N6 O12 Zn -","- C40 H46 N6 O12 Zn -","- C160 H184 N24 O48 Zn4 -","4","0.5","","Khattak, Zafar A. K.; Ahmad, Nazir; Younus, Hussein A.; Ullah, Habib; Yu, Baoyi; Munawar, Khurram S.; Ashfaq, Muhammad; Yaseen, Muhammad; Danish, Muhammad; Al-Abri, Mohammed; AlHajri, Rashid; Verpoort, Francis","Ambient conversion of CO2 and epoxides to cyclic carbonates using 3D amide-functionalized MOFs","Catalysis Science & Technology","2024","14","7","1888","1901","10.1039/D3CY01709E","","","0.71073","MoKα","","0.0487","0.0382","","","0.1027","0.1092","","","","","","1.049","","","","has coordinates","290794","2024-04-04","22:21:04",""
"1570973","26.1891","0.0017","7.1383","0.0004","14.0543","0.0011","90","","120.864","0.004","90","","2255.3","0.3","210","","210","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H5 Mn0.5 N4 O5 Pb -","- C9 H5 Mn0.5 N4 O5 Pb -","- C72 H40 Mn4 N32 O40 Pb8 -","8","1","","Wang, Xiyu; Yang, Guo-Ping; Wang, Yao-Yu","Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions","Catalysis Science & Technology","2024","14","6","1613","1621","10.1039/D3CY01549A","","","0.71073","MoKα","","0.0226","0.0213","","","0.0563","0.0571","","","","","","1.142","","","","has coordinates","290793","2024-04-04","22:20:54",""
"1570974","26.201","0.006","7.1538","0.0017","14.084","0.004","90","","120.846","0.008","90","","2266.4","1","256","","256","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PbZn","","- C9 H5 N4 O5 Pb Zn0.5 -","- C9 H5 N4 O5 Pb Zn0.5 -","- C72 H40 N32 O40 Pb8 Zn4 -","8","1","","Wang, Xiyu; Yang, Guo-Ping; Wang, Yao-Yu","Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions","Catalysis Science & Technology","2024","14","6","1613","1621","10.1039/D3CY01549A","","","0.71073","MoKα","","0.026","0.0236","","","0.0548","0.0561","","","","","","1.11","","","","has coordinates","290793","2024-04-04","22:20:55",""
"1570975","26.2822","0.0012","7.2428","0.0002","14.042","0.0006","90","","120.511","0.001","90","","2302.86","0.16","210","","210","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PbCd","","- C9 H5 Cd0.5 N4 O5 Pb -","- C9 H5 Cd0.5 N4 O5 Pb -","- C72 H40 Cd4 N32 O40 Pb8 -","8","1","","Wang, Xiyu; Yang, Guo-Ping; Wang, Yao-Yu","Catalytic comparison of cyanosilylation/Knoevenagel condensation reactions by Pb-based heterometallic organic frameworks with different second metal ions","Catalysis Science & Technology","2024","14","6","1613","1621","10.1039/D3CY01549A","","","0.71073","MoKα","","0.0284","0.0267","","","0.0703","0.0719","","","","","","1.091","","","","has coordinates,has disorder","290793","2024-04-04","22:20:55",""
"1571020","11.5184","0.0006","14.6526","0.0007","16.148","0.0009","97.73","0.003","108.931","0.002","98.573","0.003","2500","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H170 B6 O16 -","- C94 H170 B6 O16 -","- C94 H170 B6 O16 -","1","0.5","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0833","0.0643","","","0.1854","0.2003","","","","","","1.066","","","","has coordinates","290795","2024-04-04","22:21:21",""
"1571021","10.767","0.0002","12.8036","0.0005","18.9389","0.0008","90","","90","","90","","2610.85","0.16","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 B N O2 -","- C14 H20 B N O2 -","- C112 H160 B8 N8 O16 -","8","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0466","0.0392","","","0.0962","0.1011","","","","","","1.045","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571022","9.8725","0.0005","7.3758","0.0004","21.882","0.0012","90","","98.551","0.003","90","","1575.68","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 B N2 O2 -","- C16 H25 B N2 O2 -","- C64 H100 B4 N8 O8 -","4","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0446","0.0367","","","0.0971","0.1012","","","","","","1.065","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571023","12.5923","0.0008","10.8437","0.0006","14.9151","0.0008","90","","90.37","0.005","90","","2036.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 B N2 O2 -","- C20 H33 B N2 O2 -","- C80 H132 B4 N8 O8 -","4","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0708","0.0421","","","0.1013","0.1112","","","","","","0.989","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571024","10.1407","0.0004","28.0242","0.0011","12.2214","0.0005","90","","94.627","0.003","90","","3461.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 B N O2 -","- C18 H28 B N O2 -","- C144 H224 B8 N8 O16 -","8","2","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0572","0.0396","","","0.0928","0.0993","","","","","","1.049","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571107","7.848","0.002","12.529","0.003","12.72","0.003","91.03","0.02","94.94","0.02","89.98","0.02","1245.9","0.5","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","μ-oxo-bis(phthalocyaninatogallium(III)","","- C64 H32 Ga2 N16 O -","- C64 H32 Ga2 N16 O -","- C64 H32 Ga2 N16 O -","1","0.5","","Zugenmaier, Peter","Crystal and Molecular Structures of Two Phthalocyanines, Chloro(phthalocyaninato)gallium(III) (ClGaPc) and µ-Oxobis(phthalocyaninato)gallium(III) (PcGaOGaPc)","Crystals","2024","14","2","182","","10.3390/cryst14020182","","","0.71073","MoKα","","0.0447","0.03","","","0.0701","0.0748","","","","","","1.038","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1571108","11.9442","0.0009","15.5313","0.0009","15.9059","0.0012","90","","105.945","0.003","90","","2837.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 B Cu F4 N6 P -","- C28 H25 B Cu F4 N6 P -","- C112 H100 B4 Cu4 F16 N24 P4 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Single-Crystal X-ray Structure Determination of Tris(pyrazol-1-yl)methane Triphenylphosphine Copper(I) Tetrafluoroborate, Hirshfeld Surface Analysis and DFT Calculations","Crystals","2024","14","2","162","","10.3390/cryst14020162","","","0.71073","MoKα","","0.0297","0.0272","","","0.0667","0.068","","","","","","1.062","","","","has coordinates","290295","2024-03-05","02:01:21",""
"1571109","10.918","0.0007","13.802","0.0007","6.521","0.0004","90","","100.154","0.002","90","","967.26","0.1","300","2","300","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al F5 Fe H14 O7 -","- Al F5 Fe H14 O7 -","- Al4 F20 Fe4 H56 O28 -","4","0.5","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0505","0.0424","","","0.0955","0.0997","","","","","","1.085","","","","has coordinates","290296","2024-03-05","02:02:05",""
"1571110","10.8749","0.0016","13.7822","0.0016","6.4894","0.0008","90","","100.397","0.005","90","","956.7","0.2","300","2","300","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al Co F5 H14 O7 -","- Al Co F5 H14 O7 -","- Al4 Co4 F20 H56 O28 -","4","0.5","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0466","0.0434","","","0.1006","0.1031","","","","","","1.111","","","","has coordinates","290296","2024-03-05","02:02:16",""
"1571111","10.788","0.0004","13.6952","0.0004","6.4554","0.0002","90","","100.151","0.0014","90","","938.82","0.05","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al F5 H14 Ni O7 -","- Al F5 H14 Ni O7 -","- Al4 F20 H56 Ni4 O28 -","4","0.5","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0434","0.0407","","","0.0928","0.0945","","","","","","1.116","","","","has coordinates","290296","2024-03-05","02:02:19",""
"1571112","6.4864","0.0009","8.719","0.0011","8.7917","0.0011","103.834","0.003","96.364","0.003","95.4","0.003","476.05","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Al F5 Fe H14 O7 -","- Al F5 Fe H14 O7 -","- Al2 F10 Fe2 H28 O14 -","2","1","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.044","0.0425","","","0.1098","0.1133","","","","","","1.129","","","","has coordinates","290296","2024-03-05","02:02:29",""
"1571113","6.4434","0.0005","8.6691","0.0006","8.8031","0.0006","104.019","0.002","96.749","0.002","95.254","0.002","470.08","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Al Co F5 H14 O7 -","- Al Co F5 H14 O7 -","- Al2 Co2 F10 H28 O14 -","2","1","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0364","0.0329","","","0.0714","0.0743","","","","","","1.148","","","","has coordinates","290296","2024-03-05","02:02:30",""
"1571114","6.4022","0.0006","8.5874","0.0007","8.7691","0.0007","104.255","0.003","96.638","0.003","94.816","0.003","460.96","0.07","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- Al F5 H14 Ni O7 -","- Al F5 H14 Ni O7 -","- Al2 F10 H28 Ni2 O14 -","2","1","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0548","0.0512","","","0.1377","0.1408","","","","","","1.121","","","","has coordinates","290296","2024-03-05","02:02:30",""
"1571115","5.214","0.0008","7.7014","0.0009","10.4275","0.0016","68.758","0.013","77.177","0.013","71.498","0.012","367.38","0.1","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C H8 Mg N2 O7 S -","- C H8 Mg N2 O7 S -","- C2 H16 Mg2 N4 O14 S2 -","2","1","","Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana","New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O","Crystals","2024","14","3","227","","10.3390/cryst14030227","","x-ray","0.71073","MoKα","","0.0762","0.0673","","","0.1474","0.1511","","","","","","1.239","","","","has coordinates","290297","2024-03-05","02:02:50",""
"1571116","5.2452","0.0011","7.708","0.0014","10.23","0.002","90","","94.291","0.008","90","","412.44","0.14","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C H10 Mg N2 O8 S -","- C H10 Mg N2 O8 S -","- C2 H20 Mg2 N4 O16 S2 -","2","1","","Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana","New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O","Crystals","2024","14","3","227","","10.3390/cryst14030227","","","0.71073","MoKα","","0.0379","0.0371","","","0.0994","0.1003","","","","","","0.914","","","","has coordinates","290298","2024-03-05","02:03:01",""
"1571217","4.3844","0.0001","16.88","0.0003","23.4788","0.0004","90","","91.0715","0.0019","90","","1737.33","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F3 N O5 -","- C18.001 H16 F3.0015 N O5.001 -","- C72.004 H64 F12.006 N4 O20.004 -","4","1","","Wang, Yu; Li, Yiwen; Ni, Yeke; Bučar, Dejan-Krešimir; Dalby, Paul A.; Ward, John M.; Jeffries, Jack W. E.; Hailes, Helen C.","A transaminase-mediated aldol reaction and applications in cascades to styryl pyridines.","Catalysis science & technology","2024","14","9","2390","2399","10.1039/d3cy01370g","","x-ray","1.54184","CuKα","","0.0501","0.045","","","0.11","0.1134","","","","","","1.073","","","","has coordinates,has disorder","292757","2024-07-05","12:58:52",""
"1571255","13.4985","0.0008","16.3402","0.0011","8.5914","0.0004","90","","99.883","0.005","90","","1866.87","0.19","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N3 O2 -","- C20 H18 Br N3 O2 -","- C80 H72 Br4 N12 O8 -","4","1","","Vijayakumar, Monica; Yhobu, Zhoveta; Małecki, Jan Grzegorz; Nagaraju, Dodahhali H.; Keri, Rangappa S.; Budagumpi, Srinivasa","Comprehensive enhancement in electrocatalytic oxygen evolution performance of nickel and cobalt complexes derived from π-conjugated N-heterocyclic carbene ligands through carbon composite strategy","Catalysis Science & Technology","2024","14","9","2489","2502","10.1039/D3CY01732J","","x-ray","0.71073","MoKα","","0.1038","0.0518","","","0.0995","0.1182","","","","","","1.039","","","","has coordinates","292758","2024-07-05","12:59:01",""
"1571256","10.7857","0.0016","14.519","0.002","11.7467","0.0018","90","","103.727","0.015","90","","1787","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N3 O2 -","- C20 H18 Br N3 O2 -","- C80 H72 Br4 N12 O8 -","4","1","","Vijayakumar, Monica; Yhobu, Zhoveta; Małecki, Jan Grzegorz; Nagaraju, Dodahhali H.; Keri, Rangappa S.; Budagumpi, Srinivasa","Comprehensive enhancement in electrocatalytic oxygen evolution performance of nickel and cobalt complexes derived from π-conjugated N-heterocyclic carbene ligands through carbon composite strategy","Catalysis Science & Technology","2024","14","9","2489","2502","10.1039/D3CY01732J","","x-ray","0.71073","MoKα","","0.1052","0.0525","","","0.1102","0.1385","","","","","","0.973","","","","has coordinates","292758","2024-07-05","12:59:02",""
"1571376","19.2401","0.001","12.1579","0.0007","10.1312","0.0006","90","","90","","90","","2369.9","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Mn N4 O5 -","- C24 H28 Mn N4 O5 -","- C96 H112 Mn4 N16 O20 -","4","0.5","","Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K.","Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies","Crystals","2024","14","4","318","","10.3390/cryst14040318","","","1.54178","CuKα","","0.0434","0.0414","","","0.1109","0.1133","","","","","","1.086","","","","has coordinates","291081","2024-04-05","05:50:41",""
"1571377","15.6899","0.0005","10.7161","0.0003","11.3062","0.0004","90","","90","","90","","1900.96","0.11","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H26 Cu N4 O4 -","- C18 H26 Cu N4 O4 -","- C72 H104 Cu4 N16 O16 -","4","0.5","","Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K.","Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies","Crystals","2024","14","4","318","","10.3390/cryst14040318","","","1.54178","CuKα","","0.0482","0.0475","","","0.1395","0.1402","","","","","","1.143","","","","has coordinates","291082","2024-04-05","05:50:56",""
"1571378","5.0459","0.0009","9.373","0.002","9.5454","0.0018","90","","96.187","0.018","90","","448.82","0.15","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H7 F3 N4 O2 -","- C7 H7 F3 N4 O2 -","- C14 H14 F6 N8 O4 -","2","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","","0.0932","0.0665","","","0.1881","0.2204","","","","","","1.062","","","","has coordinates","291083","2024-04-05","05:51:24",""
"1571379","8.71","0.006","6.292","0.005","15.26","0.011","90","","90","","90","","836.3","1.1","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","0.71073","MoKα","","0.0767","0.0697","","","0.1601","0.1624","","","","","","1.344","","","","has coordinates","291083","2024-04-05","05:51:24",""
"1571380","8.924","0.002","6.3937","0.0016","15.626","0.004","90","","90","","90","","891.6","0.4","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Br2 Cu N4 -","- C5 H6 Br2 Cu N4 -","- C20 H24 Br8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","K-L~3~","0.044","0.0328","","","0.081","0.0886","","","","","","1.073","","","","has coordinates","291083","2024-04-05","05:51:24",""
"1571381","8.6664","0.0002","6.2964","0.0002","14.894","0.0004","90","","90","","90","","812.72","0.04","100","2","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","Pyrazine Copper Chloride","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","1.54184","CuKα","","0.0663","0.0609","","","0.1587","0.163","","","","","","1.14","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571382","8.943","0.0002","6.4316","0.0002","15.2113","0.0003","90","","90","","90","","874.92","0.04","100","0.1","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Br2 Cu N4 -","- C5 H6 Br2 Cu N4 -","- C20 H24 Br8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","1.54184","CuKα","","0.0589","0.0562","","","0.1473","0.1505","","","","","","1.079","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571383","8.3731","0.0004","10.9315","0.0006","9.5637","0.0003","90","","103.022","0.004","90","","852.86","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Cl2 Cu N3 -","- C6 H7 Cl2 Cu N3 -","- C24 H28 Cl8 Cu4 N12 -","4","1","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","","0.056","0.042","","","0.0889","0.098","","","","","","1.05","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571384","8.4622","0.0012","10.6392","0.0014","9.6678","0.0013","90","","99.036","0.005","90","","859.6","0.2","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","1","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","0.71073","MoKα","","0.0343","0.0269","","","0.0674","0.0704","","","","","","1.017","","","","has coordinates","291083","2024-04-05","05:51:25",""
"1571385","12.0056","0.0009","13.9227","0.001","21.5251","0.0015","84.548","0.003","81.768","0.003","87.722","0.003","3543.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 F4 Ir N4 O4.25 -","- C33 H27 F4 Ir N4 O4.25 -","- C132 H108 F16 Ir4 N16 O17 -","4","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0409","0.0362","","","0.1153","0.1205","","","","","","1.109","","","","has coordinates,has disorder","291084","2024-04-05","05:52:51",""
"1571386","20.1167","0.0011","16.8038","0.001","17.1342","0.0009","90","","107.127","0.002","90","","5535.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H19 Cl F4 Ir N4 O2.5 -","- C28.5 H18.9999 Cl0.9999 F4 Ir N4 O2.5 -","- C228 H151.999 Cl7.9992 F32 Ir8 N32 O20 -","8","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0504","0.0364","","","0.0778","0.0872","","","","","","1.111","","","","has coordinates,has disorder","291084","2024-04-05","05:52:51",""
"1571387","9.3656","0.0005","16.9853","0.0008","9.5139","0.0005","90","","91.2046","0.0018","90","","1513.11","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 Cl4 Ir N4 O3 -","- C30 H25 Cl4 Ir N4 O3 -","- C60 H50 Cl8 Ir2 N8 O6 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0236","0.0204","","","0.0439","0.0463","","","","","","1.038","","","","has coordinates","291084","2024-04-05","05:52:51",""
"1571388","9.3682","0.0006","16.9395","0.001","9.4088","0.0005","90","","91.347","0.002","90","","1492.69","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 Cl4 Ir N4 O2 -","- C30 H25 Cl4 Ir N4 O2 -","- C60 H50 Cl8 Ir2 N8 O4 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0175","0.0164","","","0.0376","0.0396","","","","","","0.946","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571389","8.815","0.0006","12.0339","0.001","22.3146","0.0017","87.528","0.003","79.542","0.003","89.854","0.003","2325.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H15 F4 Ir N4 O2 -","- C27 H15 F4 Ir N4 O2 -","- C108 H60 F16 Ir4 N16 O8 -","4","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0283","0.0214","","","0.0419","0.0464","","","","","","1.191","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571390","9.6985","0.0008","24.7164","0.0018","13.7261","0.0009","90","","93.775","0.003","90","","3283.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cl2 F10 Ir N6 P -","- C31 H20 Cl2 F10 Ir N6 P -","- C124 H80 Cl8 F40 Ir4 N24 P4 -","4","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0498","0.0409","","","0.0865","0.0938","","","","","","1.067","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571391","13.8002","0.0006","14.3504","0.0006","17.3147","0.0008","72.193","0.002","89.145","0.002","89.584","0.002","3264.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32.5 H24 Cl F10 Ir N6 O0.5 P -","- C32.5 H24 Cl F10 Ir N6 O0.5 P -","- C130 H96 Cl4 F40 Ir4 N24 O2 P4 -","4","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0513","0.0404","","","0.0839","0.0944","","","","","","1.1","","","","has coordinates,has disorder","291084","2024-04-05","05:52:52",""
"1571392","8.6227","0.0009","13.5061","0.0013","16.6738","0.0015","104.272","0.003","94.651","0.004","90.132","0.004","1875.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H32 Cl2 F10 Ir N6 P -","- C37 H32 Cl2 F10 Ir N6 P -","- C74 H64 Cl4 F20 Ir2 N12 P2 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0274","0.0242","","","0.0561","0.0587","","","","","","1.123","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571393","10.8324","0.0004","16.0987","0.0006","31.5748","0.001","90","","90","","90","","5506.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 F6 Ir N6 P -","- C30 H22 F6 Ir N6 P -","- C240 H176 F48 Ir8 N48 P8 -","8","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0478","0.0319","","","0.0599","0.0707","","","","","","1.219","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571397","4.8569","0.0005","6.4389","0.0007","8.7323","0.001","87.837","0.004","74.463","0.004","83.06","0.004","261.17","0.05","300","2","300","2","","","","","","","","2","P -1","-P 1","2","","","","- Al3.12 Fe1.63 -","- Al3.121 Fe1.629 -","- Al12.484 Fe6.516 -","4","2","","Liu, Yibo; Fan, Changzeng; Wen, Bin; Xu, Zhefeng; Fu, Ruidong; Zhang, Lifeng","Orientation Relationship of Intergrowth Al2Fe and Al5Fe2 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","3","337","","10.3390/met14030337","","","0.71073","MoKα","","0.0831","0.0543","","","0.096","0.1044","","","","","","1.057","","","","has coordinates,has disorder","291088","2024-04-05","14:31:22",""
"1571398","7.635","0.003","6.392","0.002","4.2007","0.0014","90","","90","","90","","205.01","0.12","300","2","300","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Al2.86 Fe -","- Al2.86 Fe -","- Al11.44 Fe4 -","4","0.25","","Liu, Yibo; Fan, Changzeng; Wen, Bin; Xu, Zhefeng; Fu, Ruidong; Zhang, Lifeng","Orientation Relationship of Intergrowth Al2Fe and Al5Fe2 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","3","337","","10.3390/met14030337","","","0.71073","MoKα","","0.0611","0.0363","","","0.0763","0.0844","","","","","","1.017","","","","has coordinates","291089","2024-04-05","14:31:36",""
"1571407","10.6039","0.0003","8.8338","0.0002","15.3191","0.0003","90","","92.902","0.002","90","","1433.14","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,5S)-5-([1,1'-biphenyl]-4-ylmethyl)-3-methylpyrrolidin-2-one","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","2","","Chen, Long; Qu, Ge; Cai, Zhiqiang; Yuan, Bo; Sun, Zhoutong","Synthesis of a sacubitril precursor via the construction of one-pot chemoenzymatic cascades","Catalysis Science & Technology","2024","14","10","2817","2824","10.1039/D4CY00145A","","x-ray","1.54184","CuKα","","0.0405","0.0355","","","0.1035","0.1061","","","","","","1.14","","","","has coordinates","292753","2024-07-05","12:57:37",""
"1571418","17.6518","0.0002","9.34996","0.00012","24.7713","0.0003","90","","105.336","0.0014","90","","3942.77","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 Mg N4 O -","- C48 H38 Mg N4 O -","- C192 H152 Mg4 N16 O4 -","4","1","","Meher, Sushanta Kumar; Nayak, Prakash; Dhala, Sasmita; Tripathy, Swetapadma; Venkatasubbaiah, Krishnan","Magnesium-porphyrin as an efficient photocatalyst for the transformation of CO2 to cyclic carbonates and oxazolidinones under ambient conditions","Catalysis Science & Technology","2024","14","11","3125","3130","10.1039/D4CY00246F","","x-ray","1.54184","CuKα","","0.0606","0.0546","","","0.1621","0.1685","","","","","","1.0418","","","","has coordinates,has disorder","292759","2024-07-05","12:59:37",""
"1571551","21.266","0.002","19.1361","0.0016","25.447","0.002","90","","90.517","0.003","90","","10355.2","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26.66667 Cl2 Mn N6 O15.33333 -","- C30 H26 Cl2 Mn N6 O15.3333 -","- C360 H312 Cl24 Mn12 N72 O184 -","12","3","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Further Insight into the Manganese(II) 2,2′-Bipyridine-1,1′-dioxide Homoleptic Complex: Single-Crystal X-ray Structure Determination of the Perchlorate Salt and DFT Calculations","Crystals","2024","14","5","422","","10.3390/cryst14050422","","","0.71073","MoKα","","0.0607","0.0531","","","0.136","0.1421","","","","","","1.069","","","","has coordinates","299663","2025-05-14","10:18:00",""
"1571552","21.302","0.003","19.101","0.003","25.487","0.004","90","","90.354","0.005","90","","10370","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26.666667 Cl2 Mn N6 O15.33333 -","- C30 H24 Cl2 Mn N6 O15.3333 -","- C360 H288 Cl24 Mn12 N72 O184 -","12","3","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Further Insight into the Manganese(II) 2,2′-Bipyridine-1,1′-dioxide Homoleptic Complex: Single-Crystal X-ray Structure Determination of the Perchlorate Salt and DFT Calculations","Crystals","2024","14","5","422","","10.3390/cryst14050422","","","0.71073","MoKα","","0.1157","0.1002","","","0.2632","0.271","","","","","","1.096","","","","has coordinates","299663","2025-05-14","10:18:00",""
"1571553","14.5956","0.0009","14.5956","0.0009","7.6929","0.0004","90","","90","","120","","1419.27","0.14","300","2","300","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al78 Fe18 -","- Al78 Fe18 -","- Al78 Fe18 -","1","0.0277778","","Liu, Yibo; Fan, Changzeng; Xu, Zhefeng; Fu, Ruidong; Wen, Bin; Zhang, Lifeng","Orientation Relationship of the Intergrowth Al13Fe3 and Al13Fe4 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","4","463","","10.3390/met14040463","","","0.71073","MoKα","","0.0369","0.0327","","","0.0703","0.071","","","","","","1.326","","","","has coordinates","291704","2024-05-05","18:29:34",""
"1571554","15.498","0.004","8.0814","0.0017","12.488","0.003","90","","107.79","0.008","90","","1489.3","0.6","300","2","300","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Al3.25 Fe -","- Al3.25 Fe -","- Al78 Fe24 -","24","3","","Liu, Yibo; Fan, Changzeng; Xu, Zhefeng; Fu, Ruidong; Wen, Bin; Zhang, Lifeng","Orientation Relationship of the Intergrowth Al13Fe3 and Al13Fe4 Intermetallics Determined by Single-Crystal X-ray Diffraction","Metals","2024","14","4","463","","10.3390/met14040463","","","0.71073","MoKα","","0.1721","0.0803","","","0.1727","0.223","","","","","","1.064","","","","has coordinates","291705","2024-05-05","18:29:47",""
"1571676","11.3465","0.0002","12.5357","0.0002","13.0549","0.0002","109.944","0.002","101.745","0.001","105.832","0.001","1586.41","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Cr(OSi(tBu)3)2(XyNC)4","","- C60 H90 Cr N4 O8 Si2 -","- C60 H90 Cr N4 O8 Si2 -","- C60 H90 Cr N4 O8 Si2 -","1","0.5","","Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe","Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.","Catalysis science & technology","2024","14","13","3682","3690","10.1039/d3cy01692g","","x-ray","1.54184","CuKα","","0.0336","0.0322","","","0.1089","0.1118","","","","","","0.996","","","","has coordinates","292756","2024-07-05","12:58:40",""
"1571677","10.928","0.0004","28.6868","0.001","14.0779","0.0006","90","","110.037","0.005","90","","4146.1","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cr(O(tBu)2C6H3)2(XyNC)2","","- C46 H60 Cr N2 O2 -","- C46 H60 Cr N2 O2 -","- C184 H240 Cr4 N8 O8 -","4","1","","Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe","Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.","Catalysis science & technology","2024","14","13","3682","3690","10.1039/d3cy01692g","","x-ray","1.54184","CuKα","","0.068","0.0612","","","0.1456","0.1488","","","","","","1.108","","","","has coordinates","292756","2024-07-05","12:58:42",""
"1571678","13.1907","0.0003","20.8362","0.0005","23.4449","0.0006","90","","90","","90","","6443.7","0.3","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cr(OSi(tBu)3)3(XyNC)2","","- C54 H99 Cr N2 O12 Si3 -","- C54 H99 Cr N2 O12 Si3 -","- C216 H396 Cr4 N8 O48 Si12 -","4","1","","Kakiuchi, Yuya; Shapovalova, Svetlana; Protsenko, Bogdan; Guda, Sergey; Safonova, Olga V.; Guda, Alexander; Copéret, Christophe","Influence of strong π-acceptor ligands on Cr-K-edge X-ray absorption spectral signatures and consequences for the interpretation of surface sites in the Phillips catalyst.","Catalysis science & technology","2024","14","13","3682","3690","10.1039/d3cy01692g","","x-ray","1.54184","CuKα","","0.0854","0.0835","","","0.1905","0.1915","","","","","","1.104","","","","has coordinates,has disorder","292756","2024-07-05","12:58:42",""
"1571723","16.7116","0.0001","14.0718","0.0001","15.4454","0.0001","90","","96.098","0.001","90","","3611.62","0.04","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 F6 Fe Ir N4 P -","- C42 H32 F6 Fe Ir N4 P -","- C168 H128 F24 Fe4 Ir4 N16 P4 -","4","1","","Gayen, Firdaus Rahaman; Chawla, Sakshi; Bora, Debashree; Borkotoky, Lodsna; Gazi, Sarifuddin; Mallick, Dibyendu; Maurya, Ram Awatar; De, Arijit Kumar; Saha, Biswajit","Boosting photocatalytic efficiency of iridium polypyridyl complex in coupling reaction through the induction of ferrocene: insights into bimetallic catalysis","Catalysis Science & Technology","2024","14","13","3618","3628","10.1039/D3CY01418E","","","1.54184","CuKα","","0.0364","0.0338","","","0.0906","0.0925","","","","","","1.049","","","","has coordinates","292754","2024-07-05","12:57:54",""
"1571727","9.2861","0.0003","15.141","0.0005","15.1451","0.0006","118.4","0.001","95.188","0.001","95.18","0.001","1843.74","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Co I2 N2 -","- C16 H23 Co I2 N2 -","- C64 H92 Co4 I8 N8 -","4","2","","Trotta, Caterina; Dahiya, Pardeep; Baldinelli, Lorenzo; Menendez Rodriguez, Gabriel; Chakraborty, Priyanka; Bistoni, Giovanni; De Angelis, Filippo; Sundararaju, Basker; Macchioni, Alceo","A cobalt molecular catalyst for hydrogen evolution reaction with remarkable activity in phosphate buffered water solution","Catalysis Science & Technology","2024","14","13","3699","3706","10.1039/D4CY00209A","","","0.71073","MoKα","","0.0618","0.0382","","","0.1072","0.1362","","","","","","0.83","","","","has coordinates","292755","2024-07-05","12:58:19",""
"1571728","8.202","0.0007","9.8816","0.0009","12.3164","0.0011","89.106","0.002","83.431","0.002","76.17","0.002","962.86","0.15","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","Complex-2","","- C17 H25 Co I2 N2 -","- C17 H25 Co I2 N2 -","- C34 H50 Co2 I4 N4 -","2","1","","Trotta, Caterina; Dahiya, Pardeep; Baldinelli, Lorenzo; Menendez Rodriguez, Gabriel; Chakraborty, Priyanka; Bistoni, Giovanni; De Angelis, Filippo; Sundararaju, Basker; Macchioni, Alceo","A cobalt molecular catalyst for hydrogen evolution reaction with remarkable activity in phosphate buffered water solution","Catalysis Science & Technology","2024","14","13","3699","3706","10.1039/D4CY00209A","","x-ray","0.71073","MoKα","","0.0307","0.0269","","","0.0913","0.1","","","","","","0.7766","","","","has coordinates","292755","2024-07-05","12:58:26",""
"1571885","11.4614","0.0006","12.9693","0.0005","15.9143","0.0006","101.429","0.003","106.498","0.004","92.924","0.004","2208.7","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","Co(II)-RibN2","8","","- C49 H62 Co N2 O5 -","- C49 H61.5 Co N2 O5 -","- C98 H123 Co2 N4 O10 -","2","2","","Pandey, Sachchida Nand; Sengupta, Arunava; Bera, Rajib; Ali, Sohel; Yadav, Somnath","A sugar-derived ligand for room temperature aerial oxidation or non-aqueous Markovnikov hydration of styrenes using a preformed or in situ generated Co complex","Catalysis Science & Technology","2024","14","16","4487","4495","10.1039/D4CY00522H","","x-ray","0.71073","MoKα","","0.0499","0.0395","","","0.0893","0.0953","","","","","","1.033","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1572058","9.03","0.02","10.515","0.019","14.25","0.019","103.95","0.11","106.54","0.08","97.14","0.12","1231","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H19 Br Cl6 N2 Pd Sn -","- C14 H19 Br Cl6 N2 Pd Sn -","- C28 H38 Br2 Cl12 N4 Pd2 Sn2 -","2","1","","Nayak, Mukesh Kumar; Maharana, Rajat Rajiv; Mohanty, Anuradha; Samanta, Kousik; Roy, Sujit","Effect of N-heterocyclic carbene in palladium–tin heterobimetallic catalysis: a DFT supported study on the C3–H functionalization of unprotected indoles","Catalysis Science & Technology","2024","14","16","4674","4683","10.1039/D4CY00224E","","","0.71073","MoKα","","0.0899","0.0598","","","0.1652","0.2002","","","","","","1.052","","","","has coordinates","294400","2024-09-05","22:48:53",""
"1572060","19.5712","0.0006","5.9154","0.0001","20.8266","0.0006","90","","115.442","0.004","90","","2177.3","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O -","- C27 H30 N2 O -","- C108 H120 N8 O4 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.044","0.0367","","","0.0886","0.0926","","","","","","1.025","","","","has coordinates","294398","2024-09-05","22:48:23",""
"1572061","9.5244","0.0005","27.728","0.001","10.4699","0.0005","90","","114.029","0.007","90","","2525.4","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Fe N2 O4 -","- C30 H30 Fe N2 O4 -","- C120 H120 Fe4 N8 O16 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0638","0.0417","","","0.09","0.1007","","","","","","1.046","","","","has coordinates","294398","2024-09-05","22:48:24",""
"1572062","11.1925","0.0005","28.2554","0.0008","12.9763","0.0006","90","","113.551","0.006","90","","3761.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.71 H50.77 Fe N3 O3 -","- C41.705 H50.77 Fe N3 O3 -","- C166.82 H203.08 Fe4 N12 O12 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0916","0.0675","","","0.1425","0.1516","","","","","","1.125","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572063","10.59054","0.00012","15.4277","0.0002","23.2167","0.0003","101.099","0.0012","99.234","0.001","103.291","0.0008","3538.47","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 F6 Fe N2 O4 -","- C38 H40 F6 Fe N2 O4 -","- C152 H160 F24 Fe4 N8 O16 -","4","2","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.1161","0.0855","","","0.231","0.2484","","","","","","1.049","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572064","10.7552","0.0004","11.5325","0.0003","14.6781","0.0006","106.515","0.003","110.781","0.004","94.22","0.003","1600.72","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32.5 F6 Fe N3.5 O3 -","- C33 H31 F6 Fe N3 O3 -","- C66 H62 F12 Fe2 N6 O6 -","2","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.0619","0.0606","","","0.1657","0.1675","","","","","","1.054","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572065","18.6211","0.0006","16.9942","0.0004","32.0027","0.0008","90","","90","","90","","10127.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H28 F6 N2 O -","- C29 H28 F6 N2 O -","- C464 H448 F96 N32 O16 -","16","2","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.1081","0.0622","","","0.1503","0.1727","","","","","","1.015","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572066","12.3708","0.0003","12.4378","0.0002","13.3652","0.0003","99.388","0.002","97.45","0.002","109.19","0.002","1878.73","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H47 Cl3 Fe N2 O4 -","- C39 H47 Cl3 Fe N2 O4 -","- C78 H94 Cl6 Fe2 N4 O8 -","2","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0859","0.0862","","","","","","1.083","","","","has coordinates","294398","2024-09-05","22:48:24",""
"1572067","11.1854","0.0005","12.6987","0.0005","14.8312","0.0007","86.447","0.004","71.724","0.004","71.449","0.004","1894.75","0.16","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 Fe N3 O3 -","- C42 H56 Fe N3 O3 -","- C84 H112 Fe2 N6 O6 -","2","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.1178","0.0847","","","0.1506","0.1632","","","","","","1.089","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572068","9.9427","0.0002","10.8687","0.0002","16.2473","0.0003","105.165","0.001","92.602","0.001","114.222","0.002","1521.98","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Fe N2 O4 -","- C34 H38 Fe N2 O4 -","- C68 H76 Fe2 N4 O8 -","2","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0371","0.0302","","","0.086","0.0885","","","","","","1.057","","","","has coordinates","294398","2024-09-05","22:48:24",""
"1572069","11.389","0.0005","28.6159","0.0007","10.6867","0.0005","90","","117.667","0.005","90","","3084.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H37 Fe N3 O3 -","- C34.5 H37 Fe N3 O3 -","- C138 H148 Fe4 N12 O12 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0724","0.0522","","","0.1229","0.1312","","","","","","1.056","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572070","7.1127","0.0002","14.31","0.0004","21.7165","0.0006","90","","98.189","0.003","90","","2187.83","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 Fe N3 O3 -","- C25 H23 Fe N3 O3 -","- C100 H92 Fe4 N12 O12 -","4","1","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","0.71073","MoKα","","0.0484","0.0356","","","0.0942","0.0987","","","","","","1.056","","","","has coordinates","294398","2024-09-05","22:48:24",""
"1572204","9.529","0.0006","9.7708","0.0006","13.6707","0.0009","93.325","0.002","107.464","0.002","114.272","0.002","1082.49","0.12","203","2","203","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H49 Br2 Cl2 N3 Ni -","- C44 H49 Br2 Cl2 N3 Ni -","- C44 H49 Br2 Cl2 N3 Ni -","1","1","","Norouzinyanlakvan, Somayeh; Ovens, Jeffrey; Richeson, Darrin","Electrocatalytic reduction of nitrite to ammonium ion using Ni(ii) complexes with redox-active di(imino)pyridine ligands","Catalysis Science & Technology","2024","14","18","5422","5429","10.1039/D4CY00715H","","","0.71073","MoKα","","0.0321","0.0296","","","0.0732","0.0749","","","","","","1.031","","","","has coordinates","295087","2024-10-06","04:17:11",""
"1572223","9.7333","0.0001","15.2824","0.0002","16.1184","0.0002","90","","91.158","0.001","90","","2397.09","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N O2 S -","- C30 H25 N O2 S -","- C120 H100 N4 O8 S4 -","4","1","","Chikunova, Elena I.; Kotikova, Polina F.; Dar'in, Dmitry V.; Kukushkin, Vadim Yu.; Dubovtsev, Alexey Yu.","Coinage (Au, Ag, Cu) metal-catalyzed (3 + 2) annulation of α-aminoketones and electron-deficient alkynes as a route to 3-EWG-substituted pyrroles","Catalysis Science & Technology","2024","14","19","5671","5677","10.1039/D4CY00660G","","","1.54184","CuKα","","0.0431","0.0395","","","0.1098","0.1126","","","","","","1.09","","","","has coordinates","295085","2024-10-06","04:15:06",""
"1572224","9.2439","0.0002","14.8214","0.0004","28.8605","0.0007","90","","90","","90","","3954.11","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H40 N2 O4 S -","- C49 H40 N2 O4 S -","- C196 H160 N8 O16 S4 -","4","1","","Chikunova, Elena I.; Kotikova, Polina F.; Dar'in, Dmitry V.; Kukushkin, Vadim Yu.; Dubovtsev, Alexey Yu.","Coinage (Au, Ag, Cu) metal-catalyzed (3 + 2) annulation of α-aminoketones and electron-deficient alkynes as a route to 3-EWG-substituted pyrroles","Catalysis Science & Technology","2024","14","19","5671","5677","10.1039/D4CY00660G","","x-ray","1.54184","CuKα","","0.0372","0.0355","","","0.095","0.0959","","","","","","1.073","","","","has coordinates","295085","2024-10-06","04:15:21",""
"1572225","13.71","0.03","8.846","0.019","16.24","0.03","90","","93.51","0.18","90","","1966","7","296","2","296","2","","","","","","","","3","I 1 2/c 1","-I 2yc","15","","","","- C24 H18 O6 -","- C24 H18 O6 -","- C96 H72 O24 -","4","0.5","","Biswas, Subir; Barman, Dipankar; Dutta, Priyanka; Gour, Nand K.; Lee, Seonghwan; Kim, Donguk; Park, Young-Bin; Bora, Tonmoy J.; Devi, Arpita; Khanam, Salma A.; Saikia, Lakshi; Karunakar, Galla V.; Zaki, Magdi E. A.; Bania, Kusum K.","Ru-nanoparticles supported on zeolite-Y for ortho-benzylation of phenols and activation of H2O2 for selective synthesis of BINOLs","Catalysis Science & Technology","2024","14","18","5234","5256","10.1039/D4CY00429A","","","0.71073","MoKα","","0.3392","0.0953","","","0.1301","0.1902","","","","","","1.063","","","","has coordinates","295088","2024-10-06","04:17:58",""
"1572236","10.888","0.001","7.319","0.001","11.07","0.001","90","","91.77","0.01","90","","881.74","0.17","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 Fe N -","- C22 H25 Fe N -","- C44 H50 Fe2 N2 -","2","1","","Cao, Xu-You; Xu, Shi-Yin; Wu, Ling-Wei; Qiu, Yi-Feng; Zhang, Hao; Si, Li-Ping; Wang, Li-Ming; Liu, Hai-Yang","Co(iii) corroles with pendant amidophenol and amidopyridine as proton-relay arms to facilitate the electrocatalytic hydrogen evolution reaction","Catalysis Science & Technology","2024","14","19","5608","5615","10.1039/D4CY00677A","","","0.71073","MoKα","","0.0703","0.0476","","","0.0779","0.0852","","","","","","1.044","","","","has coordinates","295084","2024-10-06","04:13:28",""
"1572237","8.8638","0.0003","27.6166","0.001","22.2046","0.0008","90","","93.367","0.001","90","","5426","0.3","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H36 Co F10 N4 O2 P -","- C65 H36 Co F10 N4 O2 P -","- C260 H144 Co4 F40 N16 O8 P4 -","4","1","","Cao, Xu-You; Xu, Shi-Yin; Wu, Ling-Wei; Qiu, Yi-Feng; Zhang, Hao; Si, Li-Ping; Wang, Li-Ming; Liu, Hai-Yang","Co(iii) corroles with pendant amidophenol and amidopyridine as proton-relay arms to facilitate the electrocatalytic hydrogen evolution reaction","Catalysis Science & Technology","2024","14","19","5608","5615","10.1039/D4CY00677A","","","0.71073","MoKα","","0.0911","0.0671","","","0.1758","0.1928","","","","","","1.053","","","","has coordinates","295084","2024-10-06","04:14:06",""
"1572249","12.7674","0.0005","17.7058","0.0007","15.0682","0.0006","90","","105.218","0.004","90","","3286.8","0.2","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H47 Cu N O3 P3 -","- C32 H47 Cu N O3 P3 -","- C128 H188 Cu4 N4 O12 P12 -","4","1","","Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.","New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2","Catalysis Science & Technology","2024","14","18","5394","5404","10.1039/D4CY00759J","","","0.71073","MoKα","","0.0722","0.0539","","","0.1289","0.1436","","","","","","1.036","","","","has coordinates","295086","2024-10-06","04:16:16",""
"1572250","10.4119","0.0011","15.363","0.002","18.5644","0.0017","90","","90","","90","","2969.5","0.6","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 Cu N O3 P3 -","- C28 H39 Cu N O3 P3 -","- C112 H156 Cu4 N4 O12 P12 -","4","1","","Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.","New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2","Catalysis Science & Technology","2024","14","18","5394","5404","10.1039/D4CY00759J","","","0.71073","MoKα","","0.0934","0.0535","","","0.0674","0.0821","","","","","","1.088","","","","has coordinates","295086","2024-10-06","04:16:30",""
"1572251","8.6246","0.0007","9.3841","0.0006","17.1248","0.001","91.601","0.005","97.997","0.006","100.216","0.006","1348.77","0.16","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H36 Cu Fe N O3 P2 -","- C22 H36 Cu Fe N O3 P2 -","- C44 H72 Cu2 Fe2 N2 O6 P4 -","2","1","","Arévalo, Alma; Juárez-Francisco, Enrique; Roa, Diego A.; Flores-Alamo, Marcos; García, Juventino J.","New mononuclear Cu(i) compounds: synthesis, characterization, and application to the electroreduction of CO2","Catalysis Science & Technology","2024","14","18","5394","5404","10.1039/D4CY00759J","","","0.71073","MoKα","","0.0512","0.0335","","","0.0646","0.0722","","","","","","1.032","","","","has coordinates","295086","2024-10-06","04:16:30",""
"1572291","24.1786","0.0005","24.1786","0.0005","8.9518","0.0002","90","","90","","120","","4532.14","0.17","","","","","","","","","","","","3","P -3","-P 3","147","","1-(2,4,6-trimethylphenyl)-1-ethanol","","- C11 H16 O -","- C11 H16 O -","- C198 H288 O18 -","18","3","","Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek","Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety","Crystals","2024","14","7","642","","10.3390/cryst14070642","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","293964","2024-08-06","01:49:25",""
"1572292","13.1947","0.0003","13.6034","0.0003","18.7383","0.0006","89.584","0.002","76.961","0.002","86.63","0.002","3270.94","0.15","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 O -","- C17 H28 O -","- C136 H224 O8 -","8","4","","Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek","Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety","Crystals","2024","14","7","642","","10.3390/cryst14070642","","","","","","0.099","","","","","","","","","","","","","","","has coordinates","293965","2024-08-06","01:49:42",""
"1572293","5.921","0.001","20.42","0.004","13.5","0.003","90","","93.11","0.03","90","","1629.8","0.6","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 O -","- C17 H26 O -","- C68 H104 O4 -","4","1","","Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek","Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety","Crystals","2024","14","7","642","","10.3390/cryst14070642","","","","","","0.117","","","","","","","","","","","","","","","has coordinates","293966","2024-08-06","01:49:55",""
"1572294","9.3792","0.0003","9.3792","0.0003","15.6549","0.0006","90","","90","","120","","1192.65","0.07","180","2","180","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C21 H24 N O6 P3 -","- C21 H24 N O6 P3 -","- C42 H48 N2 O12 P6 -","2","0.333333","","Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers","Crystals","2024","14","7","662","","10.3390/cryst14070662","","","0.71073","MoKα","","0.0425","0.0317","","","0.0711","0.0742","","","","","","1.036","","","","has coordinates","293967","2024-08-06","01:50:23",""
"1572295","18.2554","0.0005","18.2554","0.0005","11.4177","0.0003","90","","90","","120","","3295.28","0.15","180","2","180","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C21 H24 N O6 P3 -","- C21 H24 N O6 P3 -","- C126 H144 N6 O36 P18 -","6","0.333333","","Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers","Crystals","2024","14","7","662","","10.3390/cryst14070662","","","0.71073","MoKα","","0.0243","0.0224","","","0.0602","0.061","","","","","","1.055","","","","has coordinates","293967","2024-08-06","01:50:24",""
"1572296","12.1818","0.0003","12.1818","0.0003","92.431","0.003","90","","90","","120","","11878.8","0.6","160","2","160","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H48 N O6 P3 Si3 -","- C30 H48 N O6 P3 Si3 -","- C360 H576 N12 O72 P36 Si36 -","12","0.666667","","Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers","Crystals","2024","14","7","662","","10.3390/cryst14070662","","","0.71073","MoKα","","0.055","0.0376","","","0.1017","0.1066","","","","","","1.106","","","","has coordinates","293967","2024-08-06","01:50:24",""
"1572297","7.1146","0.0001","11.2314","0.0002","24.3877","0.0004","90","","90","","90","","1948.75","0.05","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N3 O4 S -","- C18 H25 N3 O4 S -","- C72 H100 N12 O16 S4 -","4","1","","Zhang, Menglong; Hou, Xinyu; Yu, Fuhai; Zhang, Liang; Hou, Baohong; Zhou, Lina; Xie, Chuang; Wu, Songgu; Chen, Wei","Synthesis, Characterization, and Analysis of Probenecid and Pyridine Compound Salts","Crystals","2024","14","7","670","","10.3390/cryst14070670","","x-ray","0.71073","MoKα","","0.0795","0.059","","","0.1144","0.128","","","","","","1.027","","","","has coordinates","293968","2024-08-06","01:50:43",""
"1572298","6.883","0.0001","7.1512","0.0002","43.1607","0.0008","90","","93.68","0.002","90","","2120.06","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N3 O4 S -","- C20 H29 N3 O4 S -","- C80 H116 N12 O16 S4 -","4","1","","Zhang, Menglong; Hou, Xinyu; Yu, Fuhai; Zhang, Liang; Hou, Baohong; Zhou, Lina; Xie, Chuang; Wu, Songgu; Chen, Wei","Synthesis, Characterization, and Analysis of Probenecid and Pyridine Compound Salts","Crystals","2024","14","7","670","","10.3390/cryst14070670","","x-ray","0.71073","MoKα","","0.0574","0.0534","","","0.1464","0.1496","","","","","","1.1","","","","has coordinates,has disorder","293969","2024-08-06","01:51:03",""
"1572510","6.54619","0.00005","12.52881","0.00009","15.12082","0.00015","90","","92.4078","0.0008","90","","1239.05","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-diaminopyrimidin-1-ium 3-carboxypyrazine-2-carboxylate monohydrate","","- C10 H12 N6 O5 -","- C10 H12 N6 O5 -","- C40 H48 N24 O20 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0311","0.0295","","","0.0761","0.0773","","","","","","1.101","","","","has coordinates","294648","2024-09-06","08:49:43",""
"1572511","9.83584","0.00014","15.2908","0.0002","8.52118","0.00014","90","","112.316","0.0018","90","","1185.58","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-diamino-6-chloropyrimidin-3-ium 3-carboxypyrazine-2-carboxylate","","- C10 H9 Cl N6 O4 -","- C10 H9 Cl N6 O4 -","- C40 H36 Cl4 N24 O16 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0268","0.0251","","","0.0655","0.0666","","","","","","1.037","","","","has coordinates","294648","2024-09-06","08:49:45",""
"1572512","9.3148","0.0002","14.8388","0.0003","9.4812","0.0003","90","","108.486","0.003","90","","1242.88","0.06","129.5","0.1","129.5","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-diaminopurin-1-ium 3-carboxypyrazine-2-carboxylate","","- C11 H10 N8 O4 -","- C11 H10 N8 O4 -","- C44 H40 N32 O16 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0388","0.0367","","","0.1001","0.1022","","","","","","1.07","","","","has coordinates","294648","2024-09-06","08:49:46",""
"1572513","25.774","0.0005","6.56343","0.00009","26.4567","0.0005","90","","116.307","0.003","90","","4012.05","0.16","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","'2,6-diamino-5-azapurin-9-ium 3-carboxypyrazine-2-carboxylate 2,6-diamino-5-azapurine sesquihydrate'","","- C14 H17 N16 O5.5 -","- C14 H17 N16 O5.5 -","- C112 H136 N128 O44 -","8","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","","1.54184","CuKα","","0.0327","0.0314","","","0.0819","0.0828","","","","","","1.031","","","","has coordinates","294648","2024-09-06","08:49:48",""
"1572514","10.9538","0.0003","3.79977","0.00011","27.193","0.0007","90","","96.586","0.003","90","","1124.36","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-diaminopyrimidin-1-ium 4-carboxythiophene-3-carboxylate","","- C10 H10 N4 O4 S -","- C10 H10 N4 O4 S -","- C40 H40 N16 O16 S4 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0388","0.0342","","","0.091","0.0954","","","","","","1.045","","","","has coordinates","294648","2024-09-06","08:49:57",""
"1572515","10.2509","0.0002","4.64879","0.00011","27.0791","0.0007","90","","91.446","0.002","90","","1290.02","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,4-diamino-6-chloropyrimidin-3-ium 4-carboxythiophene-3-carboxylate","","- C10 H9 Cl N4 O4 S -","- C10 H9 Cl N4 O4 S -","- C40 H36 Cl4 N16 O16 S4 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0347","0.0306","","","0.0809","0.0847","","","","","","1.035","","","","has coordinates","294648","2024-09-06","08:50:00",""
"1572516","4.20086","0.00014","21.3241","0.0007","13.9944","0.0004","90","","91.394","0.003","90","","1253.24","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","4,6-diamino-2-thiopyrimidin-1,3-dium 4-carboxythiophene-3-carboxylate","","- C10 H10 N4 O4 S2 -","- C10 H10 N4 O4 S2 -","- C40 H40 N16 O16 S8 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.029","0.0288","","","0.0762","0.0766","","","","","","1.059","","","","has coordinates","294648","2024-09-06","08:50:05",""
"1572517","23.741","0.012","12.626","0.006","19.3","0.01","90","","108.642","0.009","90","","5482","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Co1.5 N6 O4 -","- C25 H21 Co1.5 N6 O4 -","- C200 H168 Co12 N48 O32 -","8","1","","Xiao, Caihong; Du, Shaowu","First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies","Crystals","2024","14","8","731","","10.3390/cryst14080731","","","0.71073","MoKα","","","0.0439","","","0.1226","0.1387","","","","","","1.046","","","","has coordinates","294649","2024-09-06","08:51:18",""
"1572518","11.6083","0.0006","11.6083","0.0006","13.5342","0.0014","90","","90","","120","","1579.4","0.2","293","2","293","2","","","","","","","","5","P 3","P 3","143","","","","- C20.67 H14 Co N4 O2.67 -","- C20.6667 H14 Co N4 O2.66667 -","- C62 H42 Co3 N12 O8 -","3","1","","Xiao, Caihong; Du, Shaowu","First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies","Crystals","2024","14","8","731","","10.3390/cryst14080731","","","0.71073","MoKα","","0.0631","0.0602","","","0.1624","0.167","","","","","","1.081","","","","has coordinates","294649","2024-09-06","08:51:19",""
"1572519","12.2559","0.0006","12.2559","0.0006","15.4132","0.0016","90","","90","","90","","2315.2","0.3","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C12 H9 Co0.75 N2 O2 -","- C12 H9 Co0.75 N2 O2 -","- C96 H72 Co6 N16 O16 -","8","1","","Xiao, Caihong; Du, Shaowu","First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies","Crystals","2024","14","8","731","","10.3390/cryst14080731","","","0.71073","MoKα","","","0.0431","","","0.1198","0.1252","","","","","","1.002","","","","has coordinates","294649","2024-09-06","08:51:20",""
"1572528","10.3375","0.0002","10.3375","0.0002","37.1443","0.0009","90","","90","","120","","3437.59","0.13","296","1","296","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- Ca26.83 Fe1.01 Mg3 Na0 Ni0 O84 P21 -","- Ca8.946 Fe0.338 Mg O28 P7 -","- Ca53.676 Fe2.028 Mg6 O168 P42 -","6","0.333333","","Galuskin, Evgeny V.; Galuskina, Irina O.; Kusz, Joachim; Książek, Maria; Vapnik, Yevgeny; Zieliński, Grzegorz","Karwowskiite, Ca9(Fe2+0.5□ 0.5)Mg(PO4)7—A New Merrillite Group Mineral from Paralava of the Hatrurim Complex, Daba-Siwaqa, Jordan","Minerals","2024","14","8","825","","10.3390/min14080825","","","1.54184","CuKα","","0.0217","0.0212","","","0.0535","0.054","","","","","","1.086","","","","has coordinates","294658","2024-09-06","19:50:20",""
"1572544","18.3937","0.0009","9.9807","0.0005","26.3497","0.0013","90","","104.753","0.002","90","","4677.9","0.4","100","","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C224 H208 N16 O16 S8 -","8","2","","Kumar, Manish; Singh, Bharat; Singh, Sugandha; Verma, Indresh; Kar, Kamal K.; Ghorai, Manas K.","A metal-free route to substituted imidazolidines via ring-opening cyclization (ROC) of activated aziridines with N-benzylanilines: DA-COP catalyzed photo-oxidative C–H activation","Catalysis Science & Technology","2024","14","21","6411","6419","10.1039/D4CY00808A","","x-ray","0.71073","MoKα","","0.0629","0.0462","","","0.1049","0.1157","","","","","","1.077","","","","has coordinates","296256","2024-12-06","14:28:28",""
"1572582","9.2748","0.0002","17.666","0.0005","11.4201","0.0003","90","","104.193","0.001","90","","1814.05","0.08","297","","297","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","2","","- C20 H26 F18 Fe N14 P3 -","- C20 H26 F18 Fe N14 P3 -","- C40 H52 F36 Fe2 N28 P6 -","2","0.5","","Zámbó, Greta G.; Esslinger, Carla A.; Sauer, Michael J.; Rüter, Isabelle; Reich, Robert M.; Demeshko, Serhiy; Meyer, Franc; Kühn, Fritz E.","Exploring the impact of abnormal coordination in macrocyclic N-heterocyclic carbene ligands on bio-inspired iron epoxidation catalysis","Catalysis Science & Technology","2024","14","21","6259","6269","10.1039/D4CY00992D","","x-ray","0.71073","MoKα","","0.0499","0.0405","","","0.1082","0.1165","","","","","","1.043","","","","has coordinates,has disorder","296257","2024-12-06","14:28:41",""
"1572610","18.7285","0.0002","15.0456","0.0001","16.9428","0.0002","90","","90","","90","","4774.17","0.08","150","2","150","2","","","","","","","","6","I 2 2 2","I 2 2","23","","bis[Octa(mu-L-alanine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/25)","","- C24 H126 Cl12 N8 O57 Zr6 -","- C24 H84 Cl12 N8 O40 Zr6 -","- C48 H168 Cl24 N16 O80 Zr12 -","2","0.25","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","1.54184","CuKα","","0.0524","0.0515","","","0.1402","0.1416","","","","","","1.047","","","","has coordinates,has disorder","296254","2024-12-06","14:26:44",""
"1572611","12.0405","0.0007","12.6719","0.0007","15.9325","0.0012","98.769","0.005","99.955","0.006","108.458","0.005","2214.6","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","bis[octa(mu-L-tyrosine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/5)","","- C40 H118 Cl12 N8 O37 Zr6 -","- C40 H108 Cl12 N8 O37 Zr6 -","- C40 H108 Cl12 N8 O37 Zr6 -","1","1","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","1.54184","CuKα","","0.1293","0.0877","","","0.2113","0.2538","","","","","","1.025","","","","has coordinates,has disorder","296254","2024-12-06","14:26:45",""
"1572612","26.0034","0.0003","26.0034","0.0003","26.0034","0.0003","90","","90","","90","","17582.9","0.4","150","2","150","2","","","","","","","","6","I 2 3","I 2 2 3","197","","bis[Octa(mu-L-phenylalanine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/16.5)","","- C72 H141 Cl12 N8 O48.5 Zr6 -","- C72 H116 Cl12 N8 O36 Zr6 -","- C432 H696 Cl72 N48 O216 Zr36 -","6","0.25","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","0.71073","MoKα","","0.1704","0.0509","","","0.0795","0.0906","","","","","","0.643","","","","has coordinates,has disorder","296254","2024-12-06","14:26:45",""
"1572613","18.5786","0.0007","20.219","0.0008","21.8305","0.0009","102.24","0.004","93.269","0.003","111.66","0.004","7365.1","0.6","150","2","150","2","","","","","","","","6","P 1","P 1","1","","bis[Octa(mu-L-tryptophan-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/16.5)","","- C88 H186 Cl12 N16 O67 Zr6 -","- C88 H135 Cl12 N16 O67 Zr6 -","- C176 H270 Cl24 N32 O134 Zr12 -","2","2","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","0.71073","MoKα","","0.1435","0.0816","","","0.1688","0.2137","","","","","","1.016","","","","has coordinates","296254","2024-12-06","14:26:45",""
"1572614","28.1804","0.0002","26.0321","0.0002","17.6857","0.0002","90","","90","","90","","12974.1","0.2","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","bis[octa(mu-D-tyrosine-kO:kO')tetra(mu3-3-hydroxido)tetra(mu3-oxido)Hexazirconium]dodecachloride-water (1/25)","","- C72 H158 Cl12 N8 O65 Zr6 -","- C72 H108 Cl12 N8 O65 Zr6 -","- C288 H432 Cl48 N32 O260 Zr24 -","4","1","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","0.71073","MoKα","","0.0633","0.05","","","0.1251","0.1342","","","","","","1.043","","","","has coordinates,has disorder","296254","2024-12-06","14:26:45",""
"1572694","6.9906","0.0003","13.5843","0.0008","16.4969","0.001","111.425","0.005","91.674","0.004","104.299","0.004","1400.71","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H62 Cu4 N14 O22 -","- C46 H62 Cu4 N14 O22 -","- C46 H62 Cu4 N14 O22 -","1","0.5","","Chang Liao, Nien-Chi; Basha, R. Sidick; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa","Copper cluster complex-catalyzed C–S bond formation","Catalysis Science & Technology","2024","14","22","6609","6620","10.1039/D4CY00968A","","","0.71073","MoKα","","0.054","0.0437","","","0.1016","0.1057","","","","","","1.185","","","","has coordinates","296255","2024-12-06","14:27:53",""
"1572695","23.249","0.004","24.663","0.004","19.015","0.003","90","","114.638","0.003","90","","9910","3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H88 Cu8 N24 O36 -","- C80 H88 Cu8 N24 O36 -","- C320 H352 Cu32 N96 O144 -","4","0.5","","Chang Liao, Nien-Chi; Basha, R. Sidick; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa","Copper cluster complex-catalyzed C–S bond formation","Catalysis Science & Technology","2024","14","22","6609","6620","10.1039/D4CY00968A","","","0.71073","MoKα","","0.159","0.0713","","","0.188","0.2546","","","","","","0.99","","","","has coordinates,has disorder","296255","2024-12-06","14:27:55",""
"1572696","24.8301","0.0013","11.1779","0.0006","25.5838","0.001","90","","117.139","0.003","90","","6319","0.6","150","2","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C64 H58 Cu4 N8 O14 -","- C64 H58 Cu4 N8 O14 -","- C256 H232 Cu16 N32 O56 -","4","0.5","","Chang Liao, Nien-Chi; Basha, R. Sidick; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa","Copper cluster complex-catalyzed C–S bond formation","Catalysis Science & Technology","2024","14","22","6609","6620","10.1039/D4CY00968A","","","0.71073","MoKα","","0.053","0.0464","","","0.1195","0.1253","","","","","","1.036","","","","has coordinates","296255","2024-12-06","14:28:04",""
"1572810","5.9268","0.0007","5.9268","0.0007","5.9268","0.0007","90","","90","","90","","208.19","0.04","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","silver antimony lead selenide","silver antimony lead selenide","","- Ag0.33 Pb0.33 Sb0.33 Se -","- Ag0.3334 Pb0.3333 Sb0.3333 Se -","- Ag1.3336 Pb1.3332 Sb1.3332 Se4 -","4","0.0208333","","Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver","Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te","Crystals","2024","14","9","789","","10.3390/cryst14090789","","","0.56086","AgKα","","0.0133","0.0133","","","0.0269","0.0269","","","","","","1.201","","","","has coordinates","295355","2024-10-06","13:21:56",""
"1572811","4.2887","0.0001","4.2887","0.0001","41.544","0.001","90","","90","","120","","661.74","0.03","295","2","295","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","silver lead antimony telluride","silver lead antimony telluride","","- Ag0.38 Pb0.25 Sb2.38 Te4 -","- Ag0.3785 Pb0.2432 Sb2.3785 Te4 -","- Ag1.1355 Pb0.7296 Sb7.1355 Te12 -","3","0.0833333","","Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver","Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te","Crystals","2024","14","9","789","","10.3390/cryst14090789","","","0.5","synchrotron","","0.0208","0.0203","","","0.0599","0.0605","","","","","","1.134","","","","has coordinates","295356","2024-10-06","13:22:16",""
"1572812","4.2118","0.0001","13.859","0.001","20.862","0.001","90","","90","","90","","1217.74","0.11","295","2","295","2","","","","","","","","4","C m c m","-C 2c 2","63","silver lead antimony selenide","silver lead antimony selenide","","- Ag0.61 Pb1.79 Sb2.61 Se6 -","- Ag0.6056 Pb1.7892 Sb2.6056 Se6 -","- Ag2.4224 Pb7.1568 Sb10.4224 Se24 -","4","0.25","","Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver","Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te","Crystals","2024","14","9","789","","10.3390/cryst14090789","","","0.5001","synchrotron","","0.0413","0.036","","","0.0965","0.0991","","","","","","1.349","","","","has coordinates","295357","2024-10-06","13:22:32",""
"1572997","9.7622","0.0002","11.3546","0.0002","20.4691","0.0003","90","","90.507","0.002","90","","2268.83","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N5 P -","- C26 H22 N5 P -","- C104 H88 N20 P4 -","4","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","x-ray","0.71073","MoKα","","0.0348","0.0318","","","0.0794","0.0817","","","","","","1.037","","","","has coordinates","295734","2024-11-03","23:17:21",""
"1572998","8.5305","0.0004","9.4375","0.0004","17.6861","0.0006","90.703","0.003","98.984","0.003","99.254","0.004","1387.06","0.1","273.15","0.1","273.15","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C27 H22 Cl F3 N5 Ni O3 P S -","- C27 H22 Cl F3 N5 Ni O3 P S -","- C54 H44 Cl2 F6 N10 Ni2 O6 P2 S2 -","2","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","x-ray","0.71073","MoKα","","0.1065","0.0576","","","0.1101","0.1262","","","","","","1.025","","","","has coordinates","295734","2024-11-03","23:17:23",""
"1572999","21.2519","0.0014","10.0002","0.0005","24.7491","0.0015","90","","114.089","0.007","90","","4801.7","0.6","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H19 Cl N5 Ni P -","- C25 H19 Cl N5 Ni P -","- C200 H152 Cl8 N40 Ni8 P8 -","8","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","x-ray","0.71073","MoKα","","0.0896","0.0546","","","0.1331","0.1599","","","","","","0.986","","","","has coordinates","295734","2024-11-03","23:17:23",""
"1573000","17.3501","0.0008","10.6515","0.0005","14.9182","0.0006","90","","90","","90","","2757","0.2","150","2","150","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C22 H28 Cl F3 N5 Ni O3 P S -","- C22 H28 Cl F3 N5 Ni O3 P S -","- C88 H112 Cl4 F12 N20 Ni4 O12 P4 S4 -","4","1","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","","0.71073","MoKα","","0.0519","0.0389","","","0.0816","0.0876","","","","","","1.005","","","","has coordinates","295734","2024-11-03","23:17:23",""
"1573001","7.8912","0.0007","8.8336","0.001","18.4362","0.0019","85.707","0.004","85.978","0.004","74.077","0.004","1230.7","0.2","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H62 Cl2 N10 Ni2 O P2 -","- C48 H62 Cl2 N10 Ni2 O P2 -","- C48 H62 Cl2 N10 Ni2 O P2 -","1","0.5","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","","0.71073","MoKα","","0.0318","0.0264","","","0.0621","0.0647","","","","","","1.028","","","","has coordinates,has disorder","295734","2024-11-03","23:17:23",""
"1573002","42.93","0.003","42.93","0.003","16.9889","0.0015","90","","90","","120","","27116","4","293.15","","293.15","","","","","","","","","9","R -3 :H","-R 3","148","","","","- C26 H20 Cl F3 N5 Ni O3 P S -","- C26 H20 Cl F3 N5 Ni O3 P S -","- C936 H720 Cl36 F108 N180 Ni36 O108 P36 S36 -","36","2","","Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.","Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation","Catalysis Science & Technology","2024","14","20","5959","5969","10.1039/D4CY00863D","","","0.71073","MoKα","","0.1178","0.0596","","","0.1314","0.1636","","","","","","1.025","","","","has coordinates","299663","2025-05-14","10:18:00",""
"1573093","13.0868","0.0011","15.0378","0.0014","12.4442","0.0009","90","","91.317","0.007","90","","2448.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Ag Cl N2 -","- C29 H24 Ag Cl N2 -","- C116 H96 Ag4 Cl4 N8 -","4","0.5","","Kardela, Marlena; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IBzH (IBenzhydryl): sterically-flexible N-aliphatic N-heterocyclic carbenes (NHCs) for iron-catalyzed C(sp3)–C(sp2) cross-coupling of unactivated haloalkanes","Catalysis Science & Technology","2024","14","24","7002","7008","10.1039/D4CY01315H","","","0.71073","MoKα","","0.0761","0.0462","","","0.0758","0.0829","","","","","","1.032","","","","has coordinates","297069","2025-01-06","09:41:57",""
"1573094","8.3091","0.0001","25.5056","0.0002","11.3577","0.0001","90","","107.935","0.001","90","","2290.06","0.04","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N2 Se -","- C29 H24 N2 Se -","- C116 H96 N8 Se4 -","4","1","","Kardela, Marlena; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira","IBzH (IBenzhydryl): sterically-flexible N-aliphatic N-heterocyclic carbenes (NHCs) for iron-catalyzed C(sp3)–C(sp2) cross-coupling of unactivated haloalkanes","Catalysis Science & Technology","2024","14","24","7002","7008","10.1039/D4CY01315H","","","1.54184","CuKα","","0.0252","0.0244","","","0.0623","0.0627","","","","","","1.055","","","","has coordinates","297069","2025-01-06","09:41:58",""
"1573305","7.7519","0.001","17.548","0.002","26.884","0.004","90","","90","","90","","3657","0.8","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H22 F N3 O3 S -","- C17 H22 F N3 O3 S -","- C136 H176 F8 N24 O24 S8 -","8","1","","Potla, Krishna Murthy; Asiri, Yahya I.; Rani, Nannapaneni Usha; Osório, Francisco A P; Valverde, Clodoaldo; Raja, Murugesan; Armaković, Sanja J; Armaković, Stevan","Investigation of the linear and nonlinear optical properties in the crystalline phase of a pyrimidine derivative-a potential nonlinear optical material: analysis of its structure, reactivity, and docking studies.","RSC advances","2024","14","51","37709","37724","10.1039/d4ra05681g","","","0.71073","MoKα","","0.1112","0.0536","","","0.133","0.1673","","","","","","1.021","","","","has coordinates","296719","2024-12-06","20:55:02",""
"1573316","16.772","0.0004","12.6914","0.0002","18.7308","0.0004","90","","90","","90","","3987.04","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Co2 N2 O8 -","- C20 H22 Co2 N2 O8 -","- C160 H176 Co16 N16 O64 -","8","1","","Gong, Yi; Sharp, Simon J.; Elsegood, Mark R. J.; Redshaw, Carl","Metal-organic frameworks of <i>p</i>-hydroxybenzoic acid: synthesis, structure and ring opening polymerization capability.","RSC advances","2024","14","51","37895","37901","10.1039/d4ra06361a","","","0.71073","MoKα","","0.0816","0.0706","","","0.172","0.1792","","","","","","1.099","","","","has coordinates,has disorder","296720","2024-12-06","20:55:13",""
"1573317","16.6962","0.0005","13.0537","0.0004","19.1273","0.0009","90","","90","","90","","4168.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Mn2 N2 O8 -","- C20 H22 Mn2 N2 O8 -","- C160 H176 Mn16 N16 O64 -","8","1","","Gong, Yi; Sharp, Simon J.; Elsegood, Mark R. J.; Redshaw, Carl","Metal-organic frameworks of <i>p</i>-hydroxybenzoic acid: synthesis, structure and ring opening polymerization capability.","RSC advances","2024","14","51","37895","37901","10.1039/d4ra06361a","","","1.54178","CuKα","","0.0785","0.0581","","","0.1567","0.1718","","","","","","1.043","","","","has coordinates,has disorder","296720","2024-12-06","20:55:13",""
"1573379","16.3937","0.0005","11.8607","0.0003","16.2836","0.0004","90","","108.595","0.003","90","","3000.91","0.15","200","0.1","200","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Catena-poly[mu-(1,2-bis(4-pyridyl)ethane-kN:kN')diiodidozinc(II)","","- C12 H12 I2 N2 Zn -","- C12 H12 I2 N2 Zn -","- C96 H96 I16 N16 Zn8 -","8","1","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","1.54184","CuKα","","0.0345","0.0323","","","0.087","0.0887","","","","","","1.04","","","","has coordinates","296202","2024-12-03","23:35:54",""
"1573380","5.8775","0.0002","8.0332","0.0002","15.8128","0.0004","102.779","0.002","91.996","0.002","91.958","0.002","727","0.04","298","","298","","","","","","","","","5","P -1","-P 1","2","","Catena-poly[mu-(1,2-bis(4-pyridyl)ethylene-kN:kN')diiodidozinc(II)","","- C12 H10 I2 N2 Zn -","- C12 H10 I2 N2 Zn -","- C24 H20 I4 N4 Zn2 -","2","1","","García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar","1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment","Catalysis Science & Technology","2024","14","22","6573","6583","10.1039/D4CY00969J","","x-ray","0.71073","MoKα","","0.0331","0.0271","","","0.0614","0.0641","","","","","","1.063","","","","has coordinates","296202","2024-12-03","23:35:55",""
"1573533","11.4682","0.0005","5.3017","0.0003","15.1947","0.0007","90","","91.9","0.002","90","","923.34","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H9 N O S3 -","- C7 H9 N O S3 -","- C28 H36 N4 O4 S12 -","4","2","","Rodríguez Saravia, Magdalena; Martínez, Verónica; Vairoletti, Franco; Macías, Mario; Davyt, Danilo; Hernández Dossi, Gonzalo; Mahler, Graciela","Novel enantiopure δ-thiolactones: synthesis, structural characterization, and reactivity studies.","RSC advances","2024","14","54","40287","40298","10.1039/d4ra07780f","","","1.54178","CuKα","","0.0425","0.0387","","","0.1019","0.1049","","","","","","1.062","","","","has coordinates","297138","2025-01-06","14:12:41",""
"1573534","5.2493","0.0007","12.0624","0.0018","14.1479","0.0016","90","","90","","90","","895.8","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N O S3 -","- C7 H9 N O S3 -","- C28 H36 N4 O4 S12 -","4","1","","Rodríguez Saravia, Magdalena; Martínez, Verónica; Vairoletti, Franco; Macías, Mario; Davyt, Danilo; Hernández Dossi, Gonzalo; Mahler, Graciela","Novel enantiopure δ-thiolactones: synthesis, structural characterization, and reactivity studies.","RSC advances","2024","14","54","40287","40298","10.1039/d4ra07780f","","","0.71073","MoKα","","0.0405","0.0381","","","0.0863","0.0873","","","","","","1.253","","","","has coordinates","297138","2025-01-06","14:12:42",""
"1573845","14.0437","0.0007","22.4513","0.0013","26.2961","0.0015","88.93","0.002","78.425","0.002","87.578","0.002","8114.8","0.8","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 Co N2 P2 S4 -","- C62 H46 Co N2 P2 S4 -","- C372 H276 Co6 N12 P12 S24 -","6","3","","Costa, António G.; Lopes, Gonçalo; Rodrigues, João F. G.; Santos, Isabel C.; Simão, Dulce; Lopes, Elsa B.; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cobalt and Iron Cyano Benzene Bis(Dithiolene) Complexes","Crystals","2024","14","5","469","","10.3390/cryst14050469","","","0.71073","MoKα","","0.3416","0.0945","","","0.1375","0.185","","","","","","0.825","","","","has coordinates","297586","2025-02-04","13:56:54",""
"2300525","8.3416","","8.3416","","8.3416","","90","","90","","90","","580.428","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Ni2.62 Ti0.69 O4","","- Ni2.62 O4 Ti0.69 -","- Ni2.62 O4 Ti0.66 -","- Ni20.96 O32 Ti5.28 -","8","0.0416667","","Lager, G.A.; Armbruster, T.; Rotella, F.J.; Ross, F.K.; Jorgensen, J.D.","Neutron poeder diffraction study of defect spinel structures: Tetrahedrally coordinated Ti4+ in Ni2.62 Ti0.69 O4 and Ni2.42 Ti0.74 Si0.05 O4","Journal of Applied Crystallography","1981","14","","261","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","155304","2020-10-21","18:00:00",""
"2300526","8.3222","","8.3222","","8.3222","","90","","90","","90","","576.387","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Ni2.42 Ti0.74 Si0.05 O4","","- Ni2.42 O4 Si0.05 Ti0.65 -","- Ni2.42 O4 Si0.05 Ti0.65 -","- Ni19.36 O32 Si0.4 Ti5.2 -","8","0.0416667","","Lager, G.A.; Rotella, F.J.; Ross, F.K.; Armbruster, T.; Jorgensen, J.D.","Neutron powder diffraction study of defect spinel structures: Tetrahedrally coordinated Ti4+ in Ni2.62 Ti0.69 O4 and Ni2.42 Ti0.74 Si0.05 O4","Journal of Applied Crystallography","1981","14","","261","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","155305","2020-10-21","18:00:00",""
"2310020","3.3682","","3.3682","","3.3682","","90","","90","","90","","38.211","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","Silver indium (0.75/0.25) - HT","","- Ag0.75 In0.25 -","- Ag0.75 In0.25 -","- Ag1.5 In0.5 -","2","0.0208333","","Williams, I.; Morris, D.P.","The beta - Ag3 In phase","Acta Crystallographica (1,1948-23,1967)","1961","14","","74","74","10.1107/S0365110X61000243","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310066","11.86","","6.06","","7.31","","90","","93.5","","90","","524.401","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ag (P O3)","","- Ag O3 P -","- Ag O3 P -","- Ag8 O24 P8 -","8","2","","Jost, K.H.","Die Struktur des Silber-Polyphosphats (Ag P O3)x","Acta Crystallographica (1,1948-23,1967)","1961","14","","779","784","10.1107/S0365110X6100231X","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310084","4.74","","4.74","","3.402","","90","","90","","120","","66.194","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Au2 Th -","- Au2 Th -","- Au2 Th -","1","0.0416667","","Brown, A.","M X2 compounds of thorium and the polymorphism of thorium disilicide","Acta Crystallographica (1,1948-23,1967)","1961","14","","860","865","10.1107/S0365110X61002497","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310167","3.83","","3.83","","3.83","","90","","90","","90","","56.182","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Gd In -","- Gd In -","- Gd In -","1","0.0208333","","Baenziger, N.C.; Moriarty, J.L.jr.","Gadolinium and dysprosium intermetallic phases. II. Laves phases and other structure types","Acta Crystallographica (1,1948-23,1967)","1961","14","","948","950","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310168","7.164","","4.458","","5.574","","90","","90","","90","","178.017","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd Pt -","- Gd Pt -","- Gd4 Pt4 -","4","0.5","","Baenziger, N.C.; Moriarty, J.L.jr.","Gadolinium and dysprosium intermetallic phases. I. The crystal of Dy Ga and Gd Pt and their related compounds","Acta Crystallographica (1,1948-23,1967)","1961","14","","946","947","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310170","4.545","","4.545","","5.644","","90","","90","","90","","116.588","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Pb Th -","- Pb Th -","- Pb Th -","1","0.0625","","Brown, A.","The crystal structures of Th Pb3, U Pb3, Th Pb and U Pb","Acta Crystallographica (1,1948-23,1967)","1961","14","","856","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310176","3.9","","3.9","","3.9","","90","","90","","90","","59.319","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh3 Sc -","- Rh3 Sc -","- Rh3 Sc -","1","0.0208333","","Compton, V.B.","Some AB3 compounds of the transition metals","Acta Crystallographica (1,1948-23,1967)","1961","14","","75","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310182","4.023","","4.023","","4.023","","90","","90","","90","","65.11","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ir3 U -","- Ir3 U -","- Ir3 U -","1","0.0208333","","Dwight, A.E.; Downey, J.W.; Conner, R.A.jr.","Some A B3 compounds of the transition metals","Acta Crystallographica (1,1948-23,1967)","1961","14","","75","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310198","9.7577","","9.7577","","2.998","","90","","90","","90","","285.448","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","","","- Hg5 Mn2 -","- Hg5 Mn2 -","- Hg10 Mn4 -","2","0.125","","de Wet, J.F.","The crystal structure of Mn2 Hg5","Acta Crystallographica (1,1948-23,1967)","1961","14","","733","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310213","5.433","","5.433","","8.561","","90","","90","","120","","218.844","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Re2 U -","- Re2 U -","- Re8 U4 -","4","0.166667","","Hatt, B.A.","The crystal structure of U Re2","Acta Crystallographica (1,1948-23,1967)","1961","14","","119","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310214","5.6","","9.18","","8.46","","90","","90","","90","","434.912","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Re2 U -","- Re2 U -","- Re16 U8 -","8","0.5","","Hatt, B.A.","The crystal structure of U Re2","Acta Crystallographica (1,1948-23,1967)","1961","14","","119","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310258","5.05","","5.05","","16.32","","90","","90","","120","","360.44","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Nb Zn2 -","- Nb Zn2 -","- Nb8 Zn16 -","8","0.333333","","Vold, C.L.","The crystal structure of Nb Zn2","Acta Crystallographica (1,1948-23,1967)","1961","14","","1289","1290","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310272","4.3","","10.989","","4.067","","90","","90","","90","","192.177","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Dy Ga -","- Dy Ga -","- Dy4 Ga4 -","4","0.25","","Baenziger, N.C.; Moriarty, J.L.jr.","Gadolinium and dysprosium intermetallic phases. I. The crystal structures of Dy Ga and Gd Pt and their related compounds","Acta Crystallographica (1,1948-23,1967)","1961","14","","946","947","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310273","3.7866","","3.7866","","3.7866","","90","","90","","90","","54.294","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Dy In -","- Dy In -","- Dy In -","1","0.0208333","","Baenziger, N.C.; Moriarty, J.L.jr.","Gadolinium and dysprosium intermetallic phases. II. Laves phases and other structure types","Acta Crystallographica (1,1948-23,1967)","1961","14","","948","950","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310274","4.8756","","4.8756","","3.9673","","90","","90","","120","","81.674","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Dy Ni5 -","- Dy Ni5 -","- Dy Ni5 -","1","0.0416667","","Baenziger, N.C.; Moriarty, J.L.jr.","Gadolinium and dysprosium intermetallic phases. II. Laves phases and other structure types","Acta Crystallographica (1,1948-23,1967)","1961","14","","948","950","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310275","7.5966","","7.5966","","7.5966","","90","","90","","90","","438.387","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Dy Pt2 -","- Dy Pt2 -","- Dy8 Pt16 -","8","0.0416667","","Baenziger, N.C.; Moriarty, J.L.jr.","Gadolinium and dysprosium intermetallic phases: II. Laves phases and other structure types","Acta Crystallographica (1,1948-23,1967)","1961","14","","948","950","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310276","3.743","","3.743","","3.743","","90","","90","","90","","52.44","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Dy Tl -","- Dy Tl -","- Dy Tl -","1","0.0208333","","Baenziger, N.C.; Moriarty, J.L.jr.","Gadolinium and dysprosium intermetallic phases: II. Laves phases and other structure types","Acta Crystallographica (1,1948-23,1967)","1961","14","","948","950","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310300","7.3","","4.3","","6.36","","90","","90","","90","","199.64","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ce Cu -","- Ce Cu -","- Ce4 Cu4 -","4","0.5","","Larson, A.C.; Cromer, D.T.","The crystal structure of Ce Cu","Acta Crystallographica (1,1948-23,1967)","1961","14","","545","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310301","4.43","","7.05","","7.54","","90","","90","","90","","235.486","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ce Cu2 -","- Ce Cu2 -","- Ce4 Cu8 -","4","0.25","","Larson, A.C.; Cromer, D.T.","The crystal structure of Ce Cu2","Acta Crystallographica (1,1948-23,1967)","1961","14","","73","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310310","9.92","","9.92","","6.33","","90","","90","","120","","539.458","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Ce7 Ni3 -","- Ce7 Ni3 -","- Ce14 Ni6 -","2","0.166667","","Roof, R.B.jr.; Larson, A.C.; Cromer, D.T.","The crystal structure of Ce7 Ni3","Acta Crystallographica (1,1948-23,1967)","1961","14","","1084","1087","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310331","8.571","","3.804","","9.135","","90","","101.57","","90","","291.786","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Na2 (Ti3 O7)","","- Na2 O7 Ti3 -","- Na2 O7 Ti3 -","- Na4 O14 Ti6 -","2","0.5","","Andersson, S.; Wadsley, A.D.","The crystal structure of Na2 Ti3 O7","Acta Crystallographica (1,1948-23,1967)","1961","14","","1245","1249","","","","","","","","","","","","","","","","","","","","","","has coordinates","148387","2020-10-21","18:00:00",""
"2310335","9.81","","5.65","","4.7","","90","","104.7","","90","","251.978","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Pb Cu (S O4) (O H)2","","- Cu H2 O6 Pb S -","- Cu O6 Pb S -","- Cu2 O12 Pb2 S2 -","2","0.5","","Bachmann, H.G.; Zemann, J.","Die Kristallstruktur von Linarit, Pb Cu S O4 (O H)2","Acta Crystallographica (1,1948-23,1967)","1961","14","","747","753","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310339","21.77","","21.77","","21.77","","90","","90","","90","","10317.5","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","U4 O9","","- O9 U4 -","- O9 U4 -","- O576 U256 -","64","1.33333","","Belbboch, B.; Piekarski, C.; Perio, P.","Structure de U4 O9","Acta Crystallographica (1,1948-23,1967)","1961","14","","837","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","148482","2020-10-21","18:00:00",""
"2310344","6.12","","7.7","","10.5","","90","","93.13","","90","","494.064","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ba2 (Ti O4)","","- Ba2 O4 Ti -","- Ba2 O4 Ti -","- Ba8 O16 Ti4 -","4","1","","Bland, J.A.","The crystal structure of barium orthotitanate, Ba2 Ti O4","Acta Crystallographica (1,1948-23,1967)","1961","14","","875","881","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310347","5.42","","8.94","","7.82","","90","","90","","90","","378.917","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","Hg (S O4) (H2 O)","","- H2 Hg O5 S -","- Hg O5 S -","- Hg4 O20 S4 -","4","0.5","","Bonefacic, A.","The crystal structure of mercuric sulphate monohydrate","Acta Crystallographica (1,1948-23,1967)","1961","14","","116","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310350","3.96","","3.96","","3.844","","90","","90","","120","","52.204","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ni2 Th -","- Ni2 Th -","- Ni2 Th -","1","0.0416667","","Brown, A.","M X2 compounds of thorium and the polymorphism of thorium disilicide","Acta Crystallographica (1,1948-23,1967)","1961","14","","860","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310351","4.387","","4.387","","3.472","","90","","90","","120","","57.869","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cu2 Th -","- Cu2 Th -","- Cu2 Th -","1","0.0416667","","Brown, A.","M X2 compounds of thorium and the polymorphism of thorium disilicide","Acta Crystallographica (1,1948-23,1967)","1961","14","","860","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310352","4.497","","4.497","","3.718","","90","","90","","120","","65.116","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Zn2 Th","","- Th Zn2 -","- Th Zn2 -","- Th Zn2 -","1","0.0416667","","Brown, A.","M X2 compounds of thorium and the polymorphism of thorium disilicide","Acta Crystallographica (1,1948-23,1967)","1961","14","","860","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310353","4.388","","4.388","","4.162","","90","","90","","120","","69.401","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Al2 Th -","- Al2 Th -","- Al2 Th -","1","0.0416667","","Brown, A.","M X2 compounds of thorium and the polymorphism of thorium disilicide","Acta Crystallographica (1,1948-23,1967)","1961","14","","860","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310354","4.136","","4.136","","4.126","","90","","90","","120","","61.125","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Th Si2","","- Si2 Th -","- Si2 Th -","- Si2 Th -","1","0.0416667","","Brown, A.","M X2 compounds of thorium and the polymorphism of thorium dislicide","Acta Crystallographica (1,1948-23,1967)","1961","14","","860","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310360","3.57","","9.06","","7","","90","","94.83","","90","","225.605","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N H2 O C N2 C O N H2","","- C2 H4 N4 O2 -","- C2 N4 O2 -","- C4 N8 O4 -","2","0.5","","Bryden, J.H.","The crystal structure of azodicarbonomide","Acta Crystallographica (1,1948-23,1967)","1961","14","","61","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310378","5.31","","18.36","","4.95","","90","","111.5","","90","","449.004","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","H5 (I O6)","","- H5 I O6 -","- I O6 -","- I4 O24 -","4","1","","Feikema, Y.D.","The crystal structure of H5 I O6","Acta Crystallographica (1,1948-23,1967)","1961","14","","315","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310385","3.843","","13.321","","13.916","","90","","94.08","","90","","710.591","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","K2 Cu (N H C O N H C O N H)2 (H2 O)4","","- C4 H14 Cu K2 N6 O8 -","- C4 H14 Cu K2 N6 O8 -","- C8 H28 Cu2 K4 N12 O16 -","2","0.5","","Freeman, H.C.; Smith, J.E.W.L.; Taylor, J.C.","Crystallographic studies of the biuret reaction. I. Potassium bis-Biureto cuprate(II) tetrahydrate, K2 Cu (N H C O N H C O N H)2 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1961","14","","407","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310386","5.79","","5.79","","11.75","","90","","90","","120","","341.134","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ba5 Ta4 O15","","- Ba5 O15 Ta4 -","- Ba5 O15 Ta4 -","- Ba5 O15 Ta4 -","1","0.0833333","","Galasso, F.; Katz, L.","Preparation and structure of Ba5 Ta4 O15 and related compounds","Acta Crystallographica (1,1948-23,1967)","1961","14","","647","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","148946","2020-10-21","18:00:00",""
"2310397","10.164","","10.164","","3.772","","90","","90","","90","","389.674","","","","","","","","","","","","","2","I 4/m","-I 4","87","","Ti5 Te4","","- Te4 Ti5 -","- Te4 Ti5 -","- Te8 Ti10 -","2","0.125","","Gronvold, F.; Kjekshus, A.; Raaum, F.","The crystal structure of Ti5 Te4","Acta Crystallographica (1,1948-23,1967)","1961","14","","930","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","149046","2020-10-21","18:00:00",""
"2310403","8.137","","8.137","","8.137","","32.3","","32.3","","32.3","","136.744","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Bi Tl Te2","","- Bi Te2 Tl -","- Bi Te2 Tl -","- Bi Te2 Tl -","1","0.0833333","","Hockings, E.F.; White, J.G.","The crystal structures of Tl Sb Te2 and Tl Bi Te2","Acta Crystallographica (1,1948-23,1967)","1961","14","","328","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310404","8.43","","12.96","","15.01","","90","","90","","90","","1639.89","","","","","","","","","","","","","4","P 21 c n","P -2n 2a","33","","Ba H2 Si O4 (H2 O)5","","- Ba H12 O9 Si -","- Ba O9 Si -","- Ba8 O72 Si8 -","8","2","","Hoehne, E.; Dornberger-Schiff, K.","Die Kristallstruktur des wasserhaltigen Bariumsilikats Ba O Si O2 (H2 O)6","Acta Crystallographica (1,1948-23,1967)","1961","14","","1298","1298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310406","3.63","","17.78","","9.18","","90","","119.5","","90","","515.677","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","((N H2) C O (N H) C O (N H2)) (H2 O)","","- C2 H7 N3 O3 -","- C2 H6 N3 O3 -","- C8 H24 N12 O12 -","4","1","","Hughes, E.W.; Yakel, H.L.jr.; Freeman, H.C.","The crystal structure of biuret hydrate","Acta Crystallographica (1,1948-23,1967)","1961","14","","345","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","149173","2020-10-21","18:00:00",""
"2310408","19.62","","7.89","","4.19","","90","","90","","90","","648.62","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pb As2 S4","","- As2 Pb S4 -","- As2 Pb S4 -","- As8 Pb4 S16 -","4","1","","Iitaka, Y.; Nowacki, W.","A refinement of the pseudo crystal structure of scleroclase Pb As2 S4","Acta Crystallographica (1,1948-23,1967)","1961","14","","1291","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310417","12.12","","6.2","","6.99","","90","","92","","90","","524.937","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Na (P O3)","","- Na O3 P -","- Na O3 P -","- Na8 O24 P8 -","8","2","","Jost, K.H.","Die Struktur des Kurrol'schen Na-Salzes (Na P O3x, Typ A","Acta Crystallographica (1,1948-23,1967)","1961","14","","844","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310426","9.2495","","9.2495","","9.2495","","90","","90","","90","","791.325","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","","","- Ir Sb3 -","- Ir Sb3 -","- Ir8 Sb24 -","8","0.166667","","Kjekshus, A.; Pedersen, G.","The crystal structure of Ir As3 and Ir Sb3","Acta Crystallographica (1,1948-23,1967)","1961","14","","1065","1070","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310428","4.071","","4.071","","4.071","","90","","90","","90","","67.469","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","K Co F3","","- Co F3 K -","- Co F3 K -","- Co F3 K -","1","0.0208333","","Knox, K.","Perovskite-like fluorides. I. Structures of K Mn F3, K Fe F3, K Co F3, K Ni F3 and K Zn F3. Crystal field effects in the series and in K Cr F3 and K Cu F3","Acta Crystallographica (1,1948-23,1967)","1961","14","","583","585","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310429","3.887","","3.887","","9.166","","90","","90","","90","","138.487","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Tm O I","","- I O Tm -","- I O Tm -","- I2 O2 Tm2 -","2","0.125","","Kruse, F.H.; Asprey, L.B.; Morosin, B.","The crystal structure of the lanthanide oxyiodides, Sm O I, Tm O I and Yb O I","Acta Crystallographica (1,1948-23,1967)","1961","14","","541","542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310430","6.991","","6.991","","8.752","","90","","90","","90","","427.746","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","K2 Os O2 Cl4","","- Cl4 K2 O2 Os -","- Cl4 K2 O2 Os -","- Cl8 K4 O4 Os2 -","2","0.0625","","Kruse, F.H.","Potassium osmyl chloride - refinement of the crystal structure","Acta Crystallographica (1,1948-23,1967)","1961","14","","1035","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310431","8.38","","8.38","","7.49","","90","","90","","90","","525.981","","","","","","","","","","","","","3","P 4/n :2","-P 4a","85","","Zr (I O3)4","","- I4 O12 Zr -","- I4 O12 Zr -","- I8 O24 Zr2 -","2","0.25","","Larson, A.C.; Cromer, D.T.","The crystal structure of Zr (I O3)4","Acta Crystallographica (1,1948-23,1967)","1961","14","","128","132","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310433","5.876","","5.476","","4.743","","90","","90","","90","","152.615","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","Pb O","","- O Pb -","- O Pb -","- O4 Pb4 -","4","0.5","","Leciejewicz, J.","Neutron-diffraction study of orthorhombic lead monoxide","Acta Crystallographica (1,1948-23,1967)","1961","14","","66","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310434","3.96","","3.96","","5.01","","90","","90","","90","","78.565","","","","","","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","","Pb O","","- O Pb -","- O Pb -","- O2 Pb2 -","2","0.125","","Leciejewicz, J.","On the crystal structure of tetragonal (red) Pb O","Acta Crystallographica (1,1948-23,1967)","1961","14","","1304","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310435","5.82","","14.66","","4.79","","90","","90","","90","","408.689","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Li2 (Si2 O5)","","- Li2 O5 Si2 -","- Li2 O5 Si2 -","- Li8 O20 Si8 -","4","1","","Liebau, F.","Untersuchungen an Schichtsilikaten des Formeltyps Am (Si2 O5)n. I. Die Kristallstruktur der Zimmertemperaturform des Li2 Si2 O5","Acta Crystallographica (1,1948-23,1967)","1961","14","","389","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","149451","2020-10-21","18:00:00",""
"2310436","11.76","","5.14","","7.62","","90","","112.4","","90","","425.847","","","","","","","","","","","","","4","P 1 a 1","P -2ya","7","","Li (Al Si4 O10)","","- Al Li O10 Si4 -","- Al Li O10 Si4 -","- Al2 Li2 O20 Si8 -","2","1","","Liebau, F.","Untersuchungen an Schichtsilikaten des Formeltyps Am (Si2 O5)n. III. Zur Kristallstruktur von Petalit, Li Al Si4 O10","Acta Crystallographica (1,1948-23,1967)","1961","14","","399","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310465","3.519","","3.519","","13.964","","90","","90","","120","","149.754","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mo Te2 -","- Mo Te2 -","- Mo2 Te4 -","2","0.0833333","","Puotinen, D.; Newnham, R.E.","The crystal structure of Mo Te2","Acta Crystallographica (1,1948-23,1967)","1961","14","","691","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310467","5.805","","12.675","","5.52","","90","","108.6","","90","","384.939","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Na2 Cu (S O4)2 (H2 O)2","","- Cu H4 Na2 O10 S2 -","- Cu Na2 O10 S2 -","- Cu2 Na4 O20 S4 -","2","0.5","","Rao, B.R.","Die Verfeinerung der Kristallstruktur von Kroehnkit, Na2 Cu (S O4)2 (H2 O)2","Acta Crystallographica (1,1948-23,1967)","1961","14","","738","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310476","6.621","","5.957","","3.48","","90","","90","","90","","137.256","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Cr Cl2","","- Cl2 Cr -","- Cl2 Cr -","- Cl4 Cr2 -","2","0.25","","Rundle, R.E.; Scheringer, C.","The crystal structure of chromium(II) chloride","Acta Crystallographica (1,1948-23,1967)","1961","14","","927","929","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310477","9.87","","14.14","","8.72","","90","","124.83","","90","","998.957","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ba2 Al4 Si12 O32 (H2 O)12","","- Al4 Ba2 H24 O44 Si12 -","- Al4 Ba2 O44 Si12 -","- Al4 Ba2 O44 Si12 -","1","0.5","","Sadanaga, R.; Takeuchi, Y.; Marumo, F.","The crystal structure of harmotome, Ba2 Si12 Al4 O32 (H2 O)12","Acta Crystallographica (1,1948-23,1967)","1961","14","","1153","1163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310479","14.103","","14.103","","14.103","","90","","90","","90","","2805.01","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Zn22 Zr -","- Zn22 Zr -","- Zn176 Zr8 -","8","0.0416667","","Samson, S.","The crystal stucture of the intermetallic compound Zr Zn22","Acta Crystallographica (1,1948-23,1967)","1961","14","","1229","1236","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310480","6.5","","8.12","","8.52","","90","","95.07","","90","","447.926","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 (S2 O3)","","- Na2 O3 S2 -","- Na2 O3 S2 -","- Na8 O12 S8 -","4","1","","Sandor, E.; Csordas, L.","The crystal structure of anhydrous sodium thiosulphate","Acta Crystallographica (1,1948-23,1967)","1961","14","","237","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","303130","2025-11-01","10:28:42",""
"2310482","12.03","","9.61","","9.98","","90","","95","","90","","1149.38","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","K2 Mn (S O4)2 (H2 O)4","","- H8 K2 Mn O12 S2 -","- K2 Mn O12 S2 -","- K8 Mn4 O48 S8 -","4","0.5","","Schneider, W.","Neubestimmung der Kristallstruktur des Mangan-Leonits, K2 Mn (S O4)2 (H2 O)4","Acta Crystallographica (1,1948-23,1967)","1961","14","","784","791","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310487","9.87","","9.78","","16.67","","90","","103","","90","","1567.89","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(P C F3)5","","- C5 F15 P5 -","- C5 F15 P5 -","- C20 F60 P20 -","4","1","","Spencer, C.J.; Lipscomb, W.N.","The molecular and crystal structure of (P C F3)5","Acta Crystallographica (1,1948-23,1967)","1961","14","","250","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310496","7.55","","7.55","","7.47","","90","","90","","90","","425.809","","","","","","","","","","","","Ongopolo mine, Namibia, Africa","4","P 42/n :2","-P 4bc","86","","Fe (Ge (O H)6)","Stottite","- Fe Ge H6 O6 -","- Fe Ge O6 -","- Fe4 Ge4 O24 -","4","0.5","","Strunz, H.; Giglio, M.","Die Kristallstruktur von Stottit: Fe Ge (O H)6","Acta Crystallographica (1,1948-23,1967)","1961","14","","205","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"2310505","11.93","","3.81","","20.44","","90","","120.16","","90","","803.294","","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","","Ti Nb2 O7","","- Nb2 O7 Ti -","- Nb2.0001 O7 Ti0.9999 -","- Nb12.0006 O42 Ti5.9994 -","6","0.75","","Wadsley, A.D.","Mixed oxides of titanium and niobium. I.","Acta Crystallographica (1,1948-23,1967)","1961","14","","660","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310506","28.5","","3.805","","20.51","","90","","90","","90","","2224.16","","","","","","","","","","","","","3","A m m a","-A 2a 2a","63","","Ti2 Nb10 O29","","- Nb10 O29 Ti2 -","- Nb9.996 O29 Ti2.004 -","- Nb39.984 O116 Ti8.016 -","4","0.25","","Wadsley, A.D.","Mixed oxides of titanium and niobium. II. The crystal structures of the dimorphic forms of Ti2 Nb10 O29","Acta Crystallographica (1,1948-23,1967)","1961","14","","664","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310507","15.57","","3.814","","20.54","","90","","113.683","","90","","1117.02","","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","","Ti2 Nb10 O29","","- Nb10 O29 Ti2 -","- Nb9.996 O29 Ti2.004 -","- Nb19.992 O58 Ti4.008 -","2","0.25","","Wadsley, W.D.","Mixed oxides of titanium and niobium. II. The crystal structures of the dimorphic forms of Ti2 Nb10 O29","Acta Crystallographica (1,1948-23,1967)","1961","14","","664","670","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310508","12.47","","12.47","","12.47","","90","","90","","90","","1939.1","","","","","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","Gd3 Fe2 Fe3 O12","","- Fe5 Gd3 O12 -","- Fe5 Gd3 O12 -","- Fe40 Gd24 O96 -","8","0.0833333","","Weidenborner, J.E.","Least squares refinement of the structure of gadolinium-iron garnet, Gd3 Fe2 Fe3 O12","Acta Crystallographica (1,1948-23,1967)","1961","14","","1051","1056","","","","","","","","","","","","","","","","","","","","","","has coordinates","150149","2020-10-21","18:00:00",""
"2310515","14.361","","14.361","","9.602","","90","","90","","120","","1714.99","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Li2 (W O4)","","- Li2 O4 W -","- Li2 O4 W -","- Li36 O72 W18 -","18","1","","Zachariasen, W.H.; Plettinger, H.A.","The crystal structure of lithium tungstate","Acta Crystallographica (1,1948-23,1967)","1961","14","","229","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310517","7.793","","9.207","","4.43","","90","","90","","90","","317.853","","","","","","","","","","","","","2","P n a m","-P 2c 2n","62","","Sn Cl2","","- Cl2 Sn -","- Cl2 Sn -","- Cl8 Sn4 -","4","0.5","","van den Berg, J.M.","The crystal structure of Sn Cl2","Acta Crystallographica (1,1948-23,1967)","1961","14","","1002","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310878","8.391","","8.391","","5.823","","90","","90","","120","","355.063","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Hf5 Sn3 -","- Hf5 Sn3 -","- Hf10 Sn6 -","2","0.0833333","","Bailey, D.M.","The structure of Hf5 Sn3","Acta Crystallographica (1,1948-23,1967)","1961","14","","57","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310891","3.991","","3.991","","3.991","","90","","90","","90","","63.569","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh3 U -","- Rh3 U -","- Rh3 U -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.","Some A B3 compounds of the transition metals","Acta Crystallographica (1,1948-23,1967)","1961","14","","75","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310897","4.855","","4.855","","4.855","","90","","90","","90","","114.437","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pb3 Th -","- Pb3 Th -","- Pb3 Th -","1","0.0208333","","Brown, A.","The crystal structures of Th Pb3, U Pb3, Th Pb and U Pb","Acta Crystallographica (1,1948-23,1967)","1961","14","","856","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310898","4.545","","4.545","","11.288","","90","","90","","90","","233.176","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- Pb Th -","- Pb Th -","- Pb4 Th4 -","4","0.125","","Brown, A.","The crystal structures of Th Pb3, U Pb3, Th Pb and U Pb","Acta Crystallographica (1,1948-23,1967)","1961","14","","856","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310899","4.579","","4.579","","10.518","","90","","90","","90","","220.533","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- Pb U -","- Pb U -","- Pb4 U4 -","4","0.125","","Brown, A.","The crystal structures of Th Pb3, U Pb3, Th Pb and U Pb","Acta Crystallographica (1,1948-23,1967)","1961","14","","856","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310900","6.476","","6.476","","5.259","","90","","90","","90","","220.555","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Pb U -","- Pb U -","- Pb2 U2 -","2","0.125","","Brown, A.","The crystal structures of Th Pb3, U Pb3, Th Pb and U Pb","Acta Crystallographica (1,1948-23,1967)","1961","14","","856","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310902","10.028","","10.028","","6.293","","90","","90","","120","","548.046","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Rh3 Th7 -","- Rh3 Th7 -","- Rh6 Th14 -","2","0.166667","","Ferro, R.; Rambaldi, G.","The phase D102 type in the thorium-rhodium alloy system","Acta Crystallographica (1,1948-23,1967)","1961","14","","1094","1094","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310909","4.425","","4.425","","23.303","","90","","90","","120","","395.156","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Tl Sb Te2","","- Sb Te2 Tl -","- Sb Te2 Tl -","- Sb3 Te6 Tl3 -","3","0.0833333","","Hockings, E.F.; White, J.G.","The crystal structures of Tl Sb Te2 and Tl Bi Te2","Acta Crystallographica (1,1948-23,1967)","1961","14","","328","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311009","4.064","","4.064","","4.064","","90","","90","","90","","67.121","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Pt3 -","- Ho Pt3 -","- Ho Pt3 -","1","0.0208333","","Dwight, A.E.; Conner, R.A.jr.","Some A B3 compounds of the transition metals","Acta Crystallographica (1,1948-23,1967)","1961","14","","75","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311010","3.847","","3.847","","7.753","","90","","90","","90","","114.74","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Pd3 V -","- Pd3 V -","- Pd6 V2 -","2","0.0625","","Dwight, A.E.; Conner, R.A.jr.","Some A B3 compounds of the transition metals","Acta Crystallographica (1,1948-23,1967)","1961","14","","75","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311011","3.861","","3.861","","7.824","","90","","90","","90","","116.635","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Pt3 V -","- Pt3 V -","- Pt6 V2 -","2","0.0625","","Dwight, A.E.; Conner, R.A.jr.","Some A B3 compounds of the transition metals","Acta Crystallographica (1,1948-23,1967)","1961","14","","75","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311040","5.891","","5.489","","4.775","","90","","90","","90","","154.403","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","Pb O","","- O Pb -","- O Pb -","- O4 Pb4 -","4","0.5","","Kay, M.I.","A neutron diffraction study of orthorhombic Pb O","Acta Crystallographica (1,1948-23,1967)","1961","14","","80","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4000133","8.6891","0.0002","9.1609","0.0002","9.3638","0.0003","68.97","0.001","79.005","0.001","75.622","0.001","669.65","0.03","","","","","","","","","","","","4","P 1","-P 1","2","","","","- C19 H13 N O -","- C19 H13 N O -","- C38 H26 N2 O2 -","2","2","","Field, Jason E.; Venkataraman, D.","HeterotriangulenesStructure and Properties","Chemistry of Materials","2002","14","3","962","964","10.1021/cm010929y","","","","MoKα","","0.0648","0.0525","","","0.152","0.1657","","","","","","1.058","","","","has coordinates","301811","2025-08-19","19:33:33",""
"4000156","3.2146","0.001","3.2146","0.001","11.3857","0.0013","90","","90","","120","","101.89","0.05","290","2","290","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cu O2 Sc -","- Cu0.5 O Sc0.5 -","- Cu2 O4 Sc2 -","4","0.166667","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","","","0.71069","MoKα","","0.0235","0.0187","","","0.0351","0.0358","","","","","","1.255","","","","has coordinates","270058","2021-10-23","00:09:47",""
"4000157","3.2163","0.0004","3.2163","0.0004","11.409","0.001","90","","90","","120","","102.21","0.01","11","1","11","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.79","","","","","","","has coordinates","277839","2022-09-14","18:07:02",""
"4000158","3.2162","0.0004","3.2163","0.0004","11.408","0.001","90","","90","","120","","102.19","0.01","50","1","50","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.79","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000159","3.2164","0.0004","3.2164","0.0004","11.407","0.001","90","","90","","120","","102.2","0.01","100","1","100","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.63","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000160","3.2168","0.0004","3.2168","0.0004","11.406","0.001","90","","90","","120","","102.21","0.01","150","1","150","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu Mg0.08 O2 Sc0.92 -","- Cu2 Mg0.16 O4 Sc1.84 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.77","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000161","3.2173","0.0004","3.2173","0.0004","11.405","0.001","90","","90","","120","","102.24","0.01","200","1","200","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.68","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000162","3.2182","0.0004","3.2182","0.0004","11.405","0.001","90","","90","","120","","102.29","0.01","250","1","250","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.69","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000163","3.2189","0.0004","3.2189","0.0004","11.404","0.001","90","","90","","120","","102.33","0.01","300","1","300","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.38","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000164","3.2275","0.0004","3.2275","0.0004","11.413","0.001","90","","90","","120","","102.96","0.01","573","1","573","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.4","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000165","3.2315","0.0004","3.2315","0.0004","11.418","0.001","90","","90","","120","","103.26","0.01","723","1","723","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.35","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000166","3.2357","0.0004","3.2357","0.0004","11.423","0.001","90","","90","","120","","103.57","0.01","873","1","873","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.34","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000167","3.2422","0.0004","3.2422","0.0004","11.431","0.001","90","","90","","120","","104.06","0.01","1073","1","1073","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.4","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000168","3.2472","0.0004","3.2472","0.0004","11.436","0.001","90","","90","","120","","104.43","0.01","1206","1","1206","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.47","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000192","11.93","0.002","16.03","0.003","11.5","0.002","90","","90","","90","","2199.2","0.3","100","1","100","1","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Bi4.6 Ca1.1 O10.5 V -","- Bi4.66375 Ca1.08625 O10.5 V -","- Bi37.31 Ca8.69 O84 V8 -","8","1","","Radosavljevic Evans, Ivana; Tao, Shanwen; Irvine, John T. S.; Howard, Judith A. K.","Synthesis, Crystal Structure, and Oxide Ion Conductivity in Bi~4.6~Ca~1.1~VO~10.5~","Chemistry of Materials","2002","14","9","3700","3704","10.1021/cm021158g","","","","","","","0.0767","","","","0.0911","","","","","","1.0236","","","","has coordinates","218974","2020-10-21","18:00:00",""
"4000202","3.7824","0.0005","3.7824","0.0005","19.244","0.004","90","","90","","90","","275.32","0.08","164","2","164","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Nickel Antimonide Telluride","","","- Ni5.66 Sb Te2 -","- Ni5.66 Sb Te2 -","- Ni11.32 Sb2 Te4 -","2","0.0625","","Reynolds, Thomas K.; Bales, Joshua G.; DiSalvo, Francis J.","Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni~7-δ~SbX~2~ (δ ≈ 1.3; X = Se or Te)","Chemistry of Materials","2002","14","11","4746","4751","10.1021/cm020585r","","","0.71073","MoKα","","0.0229","0.0225","","","0.0537","0.0541","","","","","","1.052","","","","has coordinates","178245","2020-10-21","18:00:00",""
"4000210","8.405","0.001","8.405","0.001","20.771","0.004","90","","90","","120","","1270.8","0.3","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- B6 Gd H3 O12 -","- B6 Gd O12 -","- B36 Gd6 O72 -","6","0.333333","","Li, Linyan; Lu, Peichao; Wang, Yaoyang; Jin, Xianglin; Li, Guobao; Wang, Yingxia; You, Liping; Lin, Jianhua","Synthesis of Rare Earth Polyborates Using Molten Boric Acid as a Flux","Chemistry of Materials","2002","14","12","4963","4968","10.1021/cm0203870","","","0.71073","MoKα","","0.0272","0.026","","","0.0617","0.0623","","","","","","1.031","","","","has coordinates","218972","2020-10-21","18:00:00",""
"4000211","8.23813","0.00006","8.23813","","33.6377","0.0004","90","","90","","90","","2282.88","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- B5 Gd O9 -","- B96 Gd32 O192 -","- B96 Gd32 O192 -","","","","Li, Linyan; Lu, Peichao; Wang, Yaoyang; Jin, Xianglin; Li, Guobao; Wang, Yingxia; You, Liping; Lin, Jianhua","Synthesis of Rare Earth Polyborates Using Molten Boric Acid as a Flux","Chemistry of Materials","2002","14","12","4963","4968","10.1021/cm0203870","powder diffraction","","","","","","","","","","","","","1.94","","","","","","","has coordinates","218972","2020-10-21","18:00:00",""
"4001639","11.1463","0.0005","13.321","0.0006","9.7149","0.0004","90","","105.478","0.001","90","","1390.15","0.11","293","0.2","293","0.2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- In2 O15 Se6 -","- In2 O15 Se6 -","- In8 O60 Se24 -","4","2","","Ok, Kang Min; Halasyamani, P. Shiv","New Selenites: Syntheses, Structures, and Characterization of Centrosymmetric Al2(Se2O5)3and Ga2(Se2O5)3and Non-centrosymmetric In2(Se2O5)3","Chemistry of Materials","2002","14","5","2360","","10.1021/cm011694t","","","0.71073","MoKα","","0.0316","0.0301","","","0.0813","0.0825","","","","","","0.902","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001640","8.5609","0.0016","12.89","0.003","10.652","0.003","90","","97.31","0.03","90","","1165.9","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Nb2 O16 Re2 -","- C8 H24 Nb2 O16 Re2 -","- C16 H48 Nb4 O32 Re4 -","2","0.5","","Shcheglov, Pavel A.; Drobot, Dmitry V.; Seisenbaeva, Gulaim A.; Gohil, Suresh; Kessler, Vadim G.","Alkoxide Route to Mixed Oxides of Rhenium, Niobium, and Tantalum. Preparation and X-ray Single-Crystal Study of a Novel Rhenium−Niobium Methoxo Complex, Nb2(OMe)8(ReO4)2","Chemistry of Materials","2002","14","5","2378","","10.1021/cm011726c","","","0.71073","MoKα","","0.1419","0.0679","","","0.1417","0.1604","","","","","","0.902","","","","has coordinates","301811","2025-08-19","19:33:35",""
"4002453","10.5928","","10.5928","","19.63191","","90","","90","","120","","1907.72","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sr9.3 Ni1.2 (P O4)7","","- Ni1.2 O28 P7 Sr9.3 -","- Ni1.1998 O28.002 P7.0002 Sr9.3 -","- Ni3.5994 O84.006 P21.0006 Sr27.9 -","3","0.0833333","","Belik, A.A.; van Tendeloo, G.; Izumi, F.; Ikeda, T.; Dilanian, R.A.; Kopnin, E.M.; Morozov, V.A.; Torii, S.; Lazoryak, B.I.; Lebedev, O.I.","Positional and orientational disorder in a solid solution of Sr9+x Ni1.5-x (P O4)7 (x=0.3)","Chemistry of Materials (1,1989-)","2002","14","","4464","4472","","","","","","","","","","","","","","","","","","","","","","has coordinates","156456","2020-10-21","18:00:00",""
"4002456","8.18722","","8.18722","","8.18722","","90","","90","","90","","548.794","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Li2 (Mg0.959 Mn0.041) (Mn0.986 Mg0.014)3 O8","","- Li2 Mg1.001 Mn2.999 O8 -","- Li2 Mg1.001 Mn2.999 O8 -","- Li8 Mg4.004 Mn11.996 O32 -","4","0.166667","","Branford, W.; Green, M.A.; Neumann, D.A.","Structure and ferromagnetism in Mn(4+) spinels: A M0.5 Mn1.5 O4 (A = Li, Cu; M = Ni, Mg)","Chemistry of Materials (1,1989-)","2002","14","","1649","1656","","","","","","","","","","","","","","","","","","","","","","has coordinates","156484","2020-10-21","18:00:00",""
"4002457","8.28179","","8.28179","","8.28179","","90","","90","","90","","568.032","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","Cu2 (Mg0.953 Mn0.047) (Mn0.984 Mg0.016)3 O8","","- Cu2 Mg1.001 Mn2.999 O8 -","- Cu2 Mg1.001 Mn2.999 O8 -","- Cu8 Mg4.004 Mn11.996 O32 -","4","0.166667","","Branford, W.; Green, M.A.; Neumann, D.A.","Structure and ferromagnetism in Mn(4+) spinels: A M0.5 Mn1.5 O4 (A = Li, Cu; M = Ni, Mg)","Chemistry of Materials (1,1989-)","2002","14","","1649","1656","","","","","","","","","","","","","","","","","","","","","","has coordinates","156486","2020-10-21","18:00:00",""
"4002458","8.27858","","8.27858","","8.27858","","90","","90","","90","","567.372","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cu (Mn0.748 Ni0.252)2 O4","","- Cu Mn1.496 Ni0.504 O4 -","- Cu Mn1.496 Ni0.504 O4 -","- Cu8 Mn11.968 Ni4.032 O32 -","8","0.0416667","","Branford, W.; Green, M.A.; Neumann, D.A.","Structure and ferromagnetism in Mn(4+) spinels: A M0.5 Mn1.5 O4 (A = Li, Cu; M = Ni, Mg)","Chemistry of Materials (1,1989-)","2002","14","","1649","1656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002459","8.16594","","8.16594","","8.16594","","90","","90","","90","","544.526","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Li (Mn0.75 Ni0.25)2 O4","","- Li Mn1.5 Ni0.5 O4 -","- Li Mn1.5 Ni0.5 O4 -","- Li8 Mn12 Ni4 O32 -","8","0.0416667","","Branford, W.; Green, M.A.; Neumann, D.A.","Structure and ferromagnetism in Mn(4+) spinels: A M0.5 Mn1.5 O4 (A = Li, Cu; M = Ni, Mg)","Chemistry of Materials (1,1989-)","2002","14","","1649","1656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002460","3.8786","","3.8786","","20.309","","90","","90","","90","","305.519","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr3 Fe Co O5.425","","- Co Fe O5.425 Sr3 -","- Co Fe O5.425 Sr3 -","- Co2 Fe2 O10.85 Sr6 -","2","0.0625","","Breard, Y.; Hervieu, M.; Michel, C.; Studer, F.; Maignan, A.; Raveau, B.B.","Large oxygen deficiency in a n=2 member of the RP series : Sr3 Fe Co O7-x (x <= 1.55)","Chemistry of Materials (1,1989-)","2002","14","","3128","3135","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002461","5.5492","","7.8017","","5.52901","","90","","90","","90","","239.369","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Nd (Ti O2.17 N0.83)","","- N0.83 Nd O2.17 Ti -","- N0.83 Nd O2.17 Ti -","- N3.32 Nd4 O8.68 Ti4 -","4","0.5","","Clarke, S.J.; Guinot, B.P.; Michie, C.W.; Calmont, M.J.C.; Rosseinsky, M.J.","Oxynitride perovskites: synthesis and structures of La Zr O2 N, Nd Ti O2 N and La Ti O2 N and comparison with oxide perovskites","Chemistry of Materials (1,1989-)","2002","14","","288","294","10.1021/cm010577v","","","","","","","","","","","","","","","","","","","","","has coordinates","231203","2020-10-21","18:00:00",""
"4002462","5.87525","","8.25031","","5.81008","","90","","90","","90","","281.63","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La (Zr O1.94 N1.06)","","- La N1.06 O1.94 Zr -","- La N1.058 O1.942 Zr -","- La4 N4.232 O7.768 Zr4 -","4","0.5","","Clarke, S.J.; Guinot, B.P.; Michie, C.W.; Calmont, M.J.C.; Rosseinsky, M.J.","Oxynitride perovskites: synthesis and structures of La Zr O2 N, Nd Ti O2 N and La Ti O2 N and comparison with oxide perovskites","Chemistry of Materials (1,1989-)","2002","14","","288","294","10.1021/cm010577v","","","","","","","","","","","","","","","","","","","","","has coordinates","231203","2020-10-21","18:00:00",""
"4002463","5.6097","","7.8719","","5.5752","","90.199","","90.154","","89.988","","246.193","","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","La (Ti O2 N)","","- La N O2 Ti -","- La N1.01 O1.99 Ti -","- La4 N4.04 O7.96 Ti4 -","4","","","Clarke, S.J.; Guinot, B.P.; Michie, C.W.; Rosseinsky, M.J.; Calmont, M.J.C.","Oxynitride perovskites: synthesis and structures of La Zr O2 N, Nd Ti O2 N and La Ti O2 N and comparison with oxide perovskites","Chemistry of Materials (1,1989-)","2002","14","","288","294","10.1021/cm010577v","","","","","","","","","","","","","","","","","","","","","has coordinates","231203","2020-10-21","18:00:00",""
"4002464","5.69411","","5.69411","","8.0658","","90","","90","","90","","261.517","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Sr (Ta O2 N)","","- N O2 Sr Ta -","- N O2 Sr Ta -","- N4 O8 Sr4 Ta4 -","4","0.125","","Clarke, S.J.; Hardstone, K.A.; Rosseinsky, M.J.; Michie, C.W.","High-temperature synthesis and structures of perovskite and n = 1 Ruddlesden-Popper tantalum oxynitrides","Chemistry of Materials (1,1989-)","2002","14","","2664","2669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002465","4.11508","","4.11508","","13.3778","","90","","90","","90","","226.538","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ba2 (Ta (O3.03 N0.97))","","- Ba2 N0.97 O3.03 Ta -","- Ba2 N0.968 O3.032 Ta -","- Ba4 N1.936 O6.064 Ta2 -","2","0.0625","","Clarke, S.J.; Hardstone, K.A.; Michie, C.W.; Rosseinsky, M.J.","High-temperature synthesis and structures of perovskite and n = 1 Ruddlesden-Popper tantalum oxynitrides","Chemistry of Materials (1,1989-)","2002","14","","2664","2669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002469","5.447","","5.447","","12.7693","","90","","90","","90","","378.863","","","","","","","","","","","","","5","P 4 2 2","P 4 2","89","","Sr1.5 La0.5 Cu0.5 Ti0.5 O3.78","","- Cu0.5 La0.5 O3.78 Sr1.5 Ti0.5 -","- Cu0.5 La0.5 O3.785 Sr1.5 Ti0.5 -","- Cu2 La2 O15.14 Sr6 Ti2 -","4","0.5","","Byeon, S.H.; Chung, H.","Structure and magnetic properties of oxygen pressure induced Sr1.5 La0.5 Cu0.5 Ti0.5 O4-d (0.0 <= d <= 0.25)","Chemistry of Materials (1,1989-)","2002","14","","556","561","","","","","","","","","","","","","","","","","","","","","","has coordinates","156614","2020-10-21","18:00:00",""
"4002470","5.7071","","13.1856","","19.9273","","90","","90","","90","","1499.56","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ba6 (Mn5 O16)","","- Ba6 Mn5 O16 -","- Ba6 Mn5 O16 -","- Ba24 Mn20 O64 -","4","","","Boulahya, K.; Parras, M.; Gonzalez-Calbet, J.M.; Martinez, J.L.","Synthesis and structural characterization of Ba6 Mn5 O16: the first layered oxide isostructural to Cs6 Ni5 F16","Chemistry of Materials (1,1989-)","2002","14","","4006","4008","","","","","","","","","","","","","","","","","","","","","","has coordinates","156616","2020-10-21","18:00:00",""
"4002471","3.851","","3.851","","12.7591","","90","","90","","90","","189.22","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr1.5 La0.5 Cu0.5 Ti0.5 O3.82","","- Cu0.5 La0.5 O3.82 Sr1.5 Ti0.5 -","- Cu0.5 La0.5 O3.818 Sr1.5 Ti0.5 -","- Cu La O7.636 Sr3 Ti -","2","0.0625","","Byeon, S.H.; Chung, H.","Structure and magnetic properties of oxygen pressure induced Sr1.5 La0.5 Cu0.5 Ti0.5 O4-d (0.0 <= d <= 0.25)","Chemistry of Materials (1,1989-)","2002","14","","556","561","","","","","","","","","","","","","","","","","","","","","","has coordinates","156617","2020-10-21","18:00:00",""
"4002472","11.48","","19.89","","17.46","","90","","90","","90","","3986.77","","","","","","","","","","","","","3","F d 2 d","F -2d -2d","43","","","","- Ba8 Co7 O21 -","- Ba8 Co7 O21 -","- Ba64 Co56 O168 -","8","0.5","","Darriet, J.; Elcoro, L.; Perez-Mato, J.M.; Gaudin, E.; El Abed, A.","Crystal structure of Ba12 Co11 O33. Reinvestigation using the superspace group approach of orthorhombic oxides A1+x (A'x B1-x) O3 based on (A8 O24) and (A8 A'2 O18) layers","Chemistry of Materials (1,1989-)","2002","14","","3349","3363","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002473","9.6544","","8.5207","","6.6737","","90","","100.741","","90","","539.375","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Y Fe (Ge2 O7)","","- Fe Ge2 O7 Y -","- Fe Ge2 O7 Y -","- Fe4 Ge8 O28 Y4 -","4","1","","Cascales, C.; Fernandez-Diaz, M.T.; Monge, M.A.; Bucio, L.","Crystal structure and low-temperature magnetic ordering in rare earth iron germanates R Fe Ge2 O7, R = Y, Pr, Dy, Tm and Yb","Chemistry of Materials (1,1989-)","2002","14","","1995","2003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002474","9.64","","8.4753","","6.7122","","90","","100.515","","90","","539.19","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dy Fe (Ge2 O7)","","- Dy Fe Ge2 O7 -","- Dy Fe Ge2 O7 -","- Dy4 Fe4 Ge8 O28 -","4","1","","Cascales, C.; Monge, M.A.; Fernandez-Diaz, M.T.; Bucio, L.","Crystal structure and low-temperature magnetic ordering in rare earth iron germanates R Fe Ge2 O7, R = Y, Pr, Dy, Tm and Yb","Chemistry of Materials (1,1989-)","2002","14","","1995","2003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002475","9.6557","","8.5444","","6.6336","","90","","101.125","","90","","537.002","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Tm Fe (Ge2 O7)","","- Fe Ge2 O7 Tm -","- Fe Ge2 O7 Tm -","- Fe4 Ge8 O28 Tm4 -","4","1","","Cascales, C.; Fernandez-Diaz, M.T.; Monge, M.A.; Bucio, L.","Crystal structure and low-temperature magnetic ordering in rare earth iron germanates R Fe Ge2 O7, R = Y, Pr, Dy, Tm and Yb","Chemistry of Materials (1,1989-)","2002","14","","1995","2003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002476","9.6672","","8.5558","","6.6253","","90","","101.321","","90","","537.321","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Yb Fe (Ge2 O7)","","- Fe Ge2 O7 Yb -","- Fe Ge2 O7 Yb -","- Fe4 Ge8 O28 Yb4 -","4","1","","Cascales, C.; Monge, M.A.; Fernandez-Diaz, M.T.; Bucio, L.","Crystal structure and low-temperature magnetic ordering in rare earth iron germanates R Fe Ge2 O7, R = Y, Pr, Dy, Tm and Yb","Chemistry of Materials (1,1989-)","2002","14","","1995","2003","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002477","5.51085","","5.51085","","13.3562","","90","","90","","120","","351.278","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.724 Sr0.276) (Mn0.92 Cr0.08) O3","","- Cr0.08 La0.724 Mn0.92 O3 Sr0.276 -","- Cr0.08 La0.724 Mn0.92 O3 Sr0.276 -","- Cr0.48 La4.344 Mn5.52 O18 Sr1.656 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Martinez, E.; Beltran, A.; Folgado, J.V.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156735","2020-10-21","18:00:00",""
"4002478","5.50836","","5.50836","","13.3553","","90","","90","","120","","350.937","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.712 Sr0.288) (Mn0.96 Co0.04) O3","","- Co0.04 La0.712 Mn0.96 O3 Sr0.288 -","- Co0.04 La0.712 Mn0.96 O3 Sr0.288 -","- Co0.24 La4.272 Mn5.76 O18 Sr1.728 -","6","0.166667","","El-Fadli, Z.; Sapina, F.; Metni, M.R.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156736","2020-10-21","18:00:00",""
"4002479","5.5071","","5.5071","","13.3617","","90","","90","","120","","350.944","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.706 Sr0.294) (Mn0.98 Ga0.02) O3","","- Ga0.02 La0.706 Mn0.98 O3 Sr0.294 -","- Ga0.02 La0.706 Mn0.98 O3 Sr0.294 -","- Ga0.12 La4.236 Mn5.88 O18 Sr1.764 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156737","2020-10-21","18:00:00",""
"4002480","5.5125","","5.5125","","13.3716","","90","","90","","120","","351.893","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.718 Sr0.282) (Mn0.94 Ga0.06) O3","","- Ga0.06 La0.718 Mn0.94 O3 Sr0.282 -","- Ga0.06 La0.718 Mn0.94 O3 Sr0.282 -","- Ga0.36 La4.308 Mn5.64 O18 Sr1.692 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156738","2020-10-21","18:00:00",""
"4002481","5.51232","","5.51232","","13.3625","","90","","90","","120","","351.631","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.726 Sr0.274) (Mn0.98 Cu0.02) O3","","- Cu0.02 La0.726 Mn0.98 O3 Sr0.274 -","- Cu0.02 La0.726 Mn0.98 O3 Sr0.274 -","- Cu0.12 La4.356 Mn5.88 O18 Sr1.644 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Folgado, J.V.; Martinez, E.; Sapina, F.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156739","2020-10-21","18:00:00",""
"4002482","5.53003","","5.53003","","13.3504","","90","","90","","120","","353.574","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.83 Sr0.17) (Mn0.9 Cu0.1) O3","","- Cu0.1 La0.83 Mn0.9 O3 Sr0.17 -","- Cu0.1 La0.83 Mn0.9 O3 Sr0.17 -","- Cu0.6 La4.98 Mn5.4 O18 Sr1.02 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156741","2020-10-21","18:00:00",""
"4002483","5.51373","","5.51373","","13.3667","","90","","90","","120","","351.922","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.726 Sr0.274) (Mn0.98 Zn0.02) O3","","- La0.726 Mn0.98 O3 Sr0.274 Zn0.02 -","- La0.726 Mn0.98 O3 Sr0.274 Zn0.02 -","- La4.356 Mn5.88 O18 Sr1.644 Zn0.12 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Beltran, A.; Martinez, E.; Folgado, J.V.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156743","2020-10-21","18:00:00",""
"4002484","5.52463","","5.52463","","13.3626","","90","","90","","120","","353.206","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.778 Sr0.222) (Mn0.94 Zn0.06) O3","","- La0.778 Mn0.94 O3 Sr0.222 Zn0.06 -","- La0.778 Mn0.94 O3 Sr0.222 Zn0.06 -","- La4.668 Mn5.64 O18 Sr1.332 Zn0.36 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Beltran, A.; Martinez, E.; Folgado, J.V.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156746","2020-10-21","18:00:00",""
"4002485","5.5139","","5.5139","","13.3712","","90","","90","","120","","352.062","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.706 Sr0.294) (Mn0.98 Sc0.02) O3","","- La0.706 Mn0.98 O3 Sc0.02 Sr0.294 -","- La0.706 Mn0.98 O3 Sc0.02 Sr0.294 -","- La4.236 Mn5.88 O18 Sc0.12 Sr1.764 -","6","0.166667","","El-Fadli, Z.; Sapina, F.; Metni, M.R.; Beltran, A.; Martinez, E.; Folgado, J.V.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156749","2020-10-21","18:00:00",""
"4002486","3.8785","","3.8785","","12.5057","","90","","90","","90","","188.12","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr2 ((Mn0.5 Ru0.5) O4)","","- Mn0.5 O4 Ru0.5 Sr2 -","- Mn0.5 O4 Ru0.5 Sr2 -","- Mn O8 Ru Sr4 -","2","0.0625","","Gallon, D.J.; Steer, C.; Battle, P.D.; Burley, J.C.; Coldea, A.I.; Blundell, S.J.; Cussen, E.J.; Rosseinsky, M.J.","Synthesis and characterization of Ru-doped n=1 and n=2 Ruddlesden-Popper manganates","Chemistry of Materials (1,1989-)","2002","14","","3976","3983","","","","","","","","","","","","","","","","","","","","","","has coordinates","156751","2020-10-21","18:00:00",""
"4002487","5.52635","","5.52635","","13.3873","","90","","90","","120","","354.079","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.718 Sr0.282) (Mn0.94 Sc0.06) O3","","- La0.718 Mn0.94 O3 Sc0.06 Sr0.282 -","- La0.718 Mn0.94 O3 Sc0.06 Sr0.282 -","- La4.308 Mn5.64 O18 Sc0.36 Sr1.692 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156752","2020-10-21","18:00:00",""
"4002488","5.5364","","5.5364","","13.4053","","90","","90","","120","","355.846","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.73 Sr0.27) (Mn0.9 Sc0.1) O3","","- La0.73 Mn0.9 O3 Sc0.1 Sr0.27 -","- La0.73 Mn0.9 O3 Sc0.1 Sr0.27 -","- La4.38 Mn5.4 O18 Sc0.6 Sr1.62 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156754","2020-10-21","18:00:00",""
"4002489","3.9045","","3.9045","","20.1274","","90","","90","","90","","306.845","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr3 ((Mn Ru) O7)","","- Mn O7 Ru Sr3 -","- Mn O7 Ru Sr3 -","- Mn2 O14 Ru2 Sr6 -","2","0.0625","","Gallon, D.J.; Battle, P.D.; Blundell, S.J.; Coldea, A.I.; Burley, J.C.; Cussen, E.J.; Rosseinsky, M.J.; Steer, C.","Synthesis and characterization of Ru-doped n=1 and n=2 Ruddlesden-Popper manganates","Chemistry of Materials (1,1989-)","2002","14","","3976","3983","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002490","5.53975","","5.53975","","13.507","","90","","90","","120","","358.98","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.7 Ba0.3) Mn O3","","- Ba0.3 La0.7 Mn O3 -","- Ba0.3 La0.7 Mn O3 -","- Ba1.8 La4.2 Mn6 O18 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Martinez, E.; Sapina, F.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002491","5.54219","","5.54219","","13.4957","","90","","90","","120","","358.995","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.726 Ba0.274) (Mn0.98 Cu0.02) O3","","- Ba0.274 Cu0.02 La0.726 Mn0.98 O3 -","- Ba0.274 Cu0.02 La0.726 Mn0.98 O3 -","- Ba1.644 Cu0.12 La4.356 Mn5.88 O18 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Beltran, A.; Folgado, J.V.; Martinez, E.; Sapina, F.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156759","2020-10-21","18:00:00",""
"4002492","5.54796","","5.54796","","13.443","","90","","90","","120","","358.339","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.83 Ba0.17) (Mn0.9 Cu0.1) O3","","- Ba0.17 Cu0.1 La0.83 Mn0.9 O3 -","- Ba0.17 Cu0.1 La0.83 Mn0.9 O3 -","- Ba1.02 Cu0.6 La4.98 Mn5.4 O18 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Folgado, J.V.; Martinez, E.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156762","2020-10-21","18:00:00",""
"4002493","5.54852","","5.54852","","13.485","","90","","90","","120","","359.531","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.778 Ba0.222) (Mn0.94 Zn0.06) O3","","- Ba0.222 La0.778 Mn0.94 O3 Zn0.06 -","- Ba0.222 La0.778 Mn0.94 O3 Zn0.06 -","- Ba1.332 La4.668 Mn5.64 O18 Zn0.36 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Sapina, F.; Folgado, J.V.; Martinez, E.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156765","2020-10-21","18:00:00",""
"4002494","5.54806","","5.54806","","13.5167","","90","","90","","120","","360.316","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.706 Ba0.294) (Mn0.98 Sc0.02) O3","","- Ba0.294 La0.706 Mn0.98 O3 Sc0.02 -","- Ba0.294 La0.706 Mn0.98 O3 Sc0.02 -","- Ba1.764 La4.236 Mn5.88 O18 Sc0.12 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Martinez, E.; Sapina, F.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156767","2020-10-21","18:00:00",""
"4002495","5.5566","","5.5566","","13.525","","90","","90","","120","","361.648","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.718 Ba0.282) (Mn0.94 Sc0.06) O3","","- Ba0.282 La0.718 Mn0.94 O3 Sc0.06 -","- Ba0.282 La0.718 Mn0.94 O3 Sc0.06 -","- Ba1.692 La4.308 Mn5.64 O18 Sc0.36 -","6","0.166667","","El-Fadli, Z.; Metni, M.R.; Martinez, E.; Sapina, F.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156770","2020-10-21","18:00:00",""
"4002496","6.0761","","6.1617","","6.1546","","90","","118.479","","90","","202.54","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Li Er O2","","- Er Li O2 -","- Er Li O2 -","- Er4 Li4 O8 -","4","1","","Hashimoto, Y.; Wakeshima, M.; Hinatsu, Y.; Matsuhira, K.","Structures and magnetic properties of ternary lithium oxides Li R O2 ( R = rare earths)","Chemistry of Materials (1,1989-)","2002","14","","3245","3251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002497","5.56486","","5.56486","","13.5395","","90","","90","","120","","363.113","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.73 Ba0.27) (Mn0.9 Sc0.1) O3","","- Ba0.27 La0.73 Mn0.9 O3 Sc0.1 -","- Ba0.27 La0.73 Mn0.9 O3 Sc0.1 -","- Ba1.62 La4.38 Mn5.4 O18 Sc0.6 -","6","0.166667","","El-Fadli, Z.; Sapina, F.; Metni, M.R.; Martinez, E.; Folgado, J.V.; Beltran, A.","Electronic properties of mixed-valence manganates: the role of Mn substitutional defects","Chemistry of Materials (1,1989-)","2002","14","","688","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","156773","2020-10-21","18:00:00",""
"4002498","4.4291","","4.4291","","10.221","","90","","90","","90","","200.505","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Li Er O2","","- Er Li O2 -","- Er Li O2 -","- Er4 Li4 O8 -","4","0.125","","Hashimoto, Y.; Matsuhira, K.; Wakeshima, M.; Hinatsu, Y.","Structures and magnetic properties of ternary lithium oxides Li R O2 ( R = rare earths)","Chemistry of Materials (1,1989-)","2002","14","","3245","3251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002499","3.6576","","3.6576","","3.8735","","90","","90","","120","","44.877","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Li2.92 N -","- Li2.92 N -","- Li2.92 N -","1","0.0416667","","Gregory, D.H.; O'Meara, P.M.; Short, S.; Gordon, A.G.; Hodges, J.P.; Jorgensen, J.D.","Structure of lithium nitride and transition-metal-doped derivatives, Li3-x-y Mx N (M = Ni, Cu): a powder neutron diffraction study","Chemistry of Materials (1,1989-)","2002","14","","2063","2070","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002500","3.7696","","3.7696","","3.527","","90","","90","","120","","43.404","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Li0.21 Ni0.79) Li1.14 N","","- Li1.35 N Ni0.79 -","- Li1.35 N Ni0.79 -","- Li1.35 N Ni0.79 -","1","0.0416667","","Gregory, D.H.; O'Meara, P.M.; Gordon, A.G.; Hodges, J.P.; Short, S.; Jorgensen, J.D.","Structure of lithium nitride and transition-metal-doped derivatives, Li3-x-y Mx N (M = Ni, Cu): a powder neutron diffraction study","Chemistry of Materials (1,1989-)","2002","14","","2063","2070","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002501","9.5767","","9.5767","","7.972","","90","","90","","120","","633.184","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","(Sr0.825 Ca0.175)4 Co1.35 Rh1.65 O9","","- Ca0.7 Co1.35 O9 Rh1.65 Sr3.3 -","- Ca0.7 Co1.34667 O9 Rh1.65333 Sr3.3 -","- Ca2.1 Co4.04 O27 Rh4.96 Sr9.9 -","3","0.5","","Hernando, M.; Boulahya, K.; Martinez, J.L.; Parras, M.; Varela, A.; Gonzalez-Calbet, J.M.","Structural and magnetic study of Sr3.3 Ca0.7 Co Rh2 O9: a new partially ordered antiferromagnetic system","Chemistry of Materials (1,1989-)","2002","14","","4948","4954","","","","","","","","","","","","","","","","","","","","","","has coordinates","156885","2020-10-21","18:00:00",""
"4002502","24.53029","","24.53029","","24.53029","","90","","90","","90","","14760.7","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","Cu27.5 Na11.4 (O D)4.5 (Al64 Si128 O384)","","- Al64 Cu27.5 D4.5 Na11.4 O388.5 Si128 -","- Al63.9936 Cu27.488 D4.512 Na11.424 O388.512 Si128.006 -","- Al63.9936 Cu27.488 D4.512 Na11.424 O388.512 Si128.006 -","1","0.00520833","","Fowkes, A.J.; Ibberson, R.M.; Rosseinsky, M.J.","Structural characterization of the redox behavior in copper-exchanged sodium zeolite Y by high-resolution powder neutron diffraction","Chemistry of Materials (1,1989-)","2002","14","","590","602","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002503","24.5896","","24.5896","","24.5896","","90","","90","","90","","14868.1","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","Cu26.9 Na11 (O D)4.6 Al7.7 Al64 Si128 O384","","- Al71.7 Cu26.9 D4.6 Na11 O388.6 Si128 -","- Al71.6736 Cu26.88 D4.64 Na5.76 O388.64 Si128.006 -","- Al71.6736 Cu26.88 D4.64 Na5.76 O388.64 Si128.006 -","1","0.00520833","","Fowkes, A.J.; Ibberson, R.M.; Rosseinsky, M.J.","Structural characterization of the redox behavior in copper-exchanged sodium zeolite Y by high-resolution powder neutron diffraction","Chemistry of Materials (1,1989-)","2002","14","","590","602","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002504","24.53029","","24.53029","","24.53029","","90","","90","","90","","14760.7","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cu28.1 Na4.8 Al64 Si128 O384","","- Al64 Cu28.1 Na4.8 O384 Si128 -","- Al63.9936 Cu28.096 Na4.8 O384 Si128.006 -","- Al63.9936 Cu28.096 Na4.8 O384 Si128.006 -","1","0.00520833","","Fowkes, A.J.; Ibberson, R.M.; Rosseinsky, M.J.","Structural characterization of the redox behavior in copper-exchanged sodium zeolite Y by high-resolution powder neutron diffraction","Chemistry of Materials (1,1989-)","2002","14","","590","602","","","","","","","","","","","","","","","","","","","","","","has coordinates","156970","2020-10-21","18:00:00",""
"4002505","5.99283","","5.99283","","29.9289","","90","","90","","120","","930.862","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba6 Nd2 Ti4 O17","","- Ba6 Nd2 O17 Ti4 -","- Ba6 Nd2 O17 Ti4 -","- Ba12 Nd4 O34 Ti8 -","2","0.0833333","","Kuang, X.-J.; Jing, X.-P.; Skakle, J.M.S.; Loong, C.-K.; Lachowski, E.E.; West, A.R.","A new hexagonal 12-layer perovskite-related structure: Ba6 R2 Ti4 O17 (R = Nd and Y)","Chemistry of Materials (1,1989-)","2002","14","","4359","4363","","","","","","","","","","","","","","","","","","","","","","has coordinates","157120","2020-10-21","18:00:00",""
"4002506","5.93055","","5.93055","","29.5239","","90","","90","","120","","899.279","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba6 Y2 Ti4 O17","","- Ba6 O17 Ti4 Y2 -","- Ba6 O17 Ti4 Y2 -","- Ba12 O34 Ti8 Y4 -","2","0.0833333","","Kuang, X.-J.; Loong, C.-K.; Jing, X.-P.; West, A.R.; Lachowski, E.E.; Skakle, J.M.S.","A new hexagonal 12-layer perovskite-related structure: Ba6 R2 Ti4 O17 (R = Nd and Y)","Chemistry of Materials (1,1989-)","2002","14","","4359","4363","","","","","","","","","","","","","","","","","","","","","","has coordinates","157122","2020-10-21","18:00:00",""
"4002507","5.2545","","5.3674","","7.5607","","90","","90.002","","90","","213.234","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tl Ni O3","","- Ni O3 Tl -","- Ni O3 Tl -","- Ni4 O12 Tl4 -","4","1","","Kim, S.-J.; Martinez-Lope, M.J.; Alonso, J.A.; Fernandez-Diaz, M.T.; Presniakov, I.; Demazeau, G.","Evidence of Ni(III) disproportionation in the Tl Ni O3 perovskite lattice through neutron powder diffraction and Mossbauer spectroscopy","Chemistry of Materials (1,1989-)","2002","14","","4926","4932","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002508","3.71379","","3.71379","","12.7016","","90","","90","","90","","175.183","","","","","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","Co0.5 La Ti O4","","- Co0.5 La O4 Ti -","- Co0.5 La O4 Ti -","- Co La2 O8 Ti2 -","2","0.125","","Kim, S.Y.; Oh, J.-M.; Park, J.-C.; Byeon, S.H.","Structure of new layered oxides M(II)0.5 La Ti O4 (M= Co, Cu and Zn) synthesized by the ion-exchange reaction","Chemistry of Materials (1,1989-)","2002","14","","1643","1648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002509","3.73606","","3.73606","","12.0736","","90","","90","","90","","168.525","","","","","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","Cu0.5 La Ti O4","","- Cu0.5 La O4 Ti -","- Cu0.5 La O4 Ti -","- Cu La2 O8 Ti2 -","2","0.125","","Kim, S.Y.; Oh, J.-M.; Park, J.-C.; Byeon, S.H.","Structure of new layered oxides M(II)0.5 La Ti O4 (M = Co, Cu and Zn) synthesized by the ion-exchange reaction","Chemistry of Materials (1,1989-)","2002","14","","1643","1648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002510","9.1587","","8.0902","","8.7932","","90","","103.032","","90","","634.758","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pb (Se O3)","","- O3 Pb Se -","- O3 Pb Se -","- O24 Pb8 Se8 -","8","2","","Lahtinen, M.; Valkonen, J.","X-ray powder structure determination and thermal behavior of a new modification of Pb(II) selenite","Chemistry of Materials (1,1989-)","2002","14","","1812","1817","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002511","3.7234","","3.7234","","12.7488","","90","","90","","90","","176.746","","","","","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","Zn0.5 La Ti O4","","- La O4 Ti Zn0.5 -","- La O4 Ti Zn0.5 -","- La2 O8 Ti2 Zn -","2","0.125","","Kim, S.Y.; Oh, J.-M.; Byeon, S.H.; Park, J.-C.","Structure of new layered oxides M(II)0.5 La Ti O4 (M = Co, Cu and Zn) synthesized by the ion-exchange reaction","Chemistry of Materials (1,1989-)","2002","14","","1643","1648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002514","5.509","","5.2779","","14.703","","90","","90","","90","","427.504","","","","","","","","","","","","","4","P c a m","-P 2c 2ac","57","","Ca2 Co1.265 Al0.735 O5","","- Al0.735 Ca2 Co1.265 O5 -","- Al0.735 Ca2 Co1.265 O5 -","- Al2.94 Ca8 Co5.06 O20 -","4","0.5","","Lambert, S.; Leligny, H.; Raveau, B.; Grebille, D.; Pelloquin, D.","Modulated distribution of differently ordered tetrahedral chains inthe brownmillerite structure","Chemistry of Materials (1,1989-)","2002","14","","1818","1826","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002515","14.7117","","5.515","","5.2813","","90","","90","","90","","428.498","","","","","","","","","","","","","4","I m a 2","I 2 -2a","46","","Ca2 Co1.237 Al0.763 O5","","- Al0.763 Ca2 Co1.237 O5 -","- Al0.763 Ca2 Co1.237 O5 -","- Al3.052 Ca8 Co4.948 O20 -","4","0.5","","Lambert, S.; Leligny, H.; Grebille, D.; Pelloquin, D.; Raveau, B.","Modulated distribution of differently ordered tetrahedral chains inthe brownmillerite structure","Chemistry of Materials (1,1989-)","2002","14","","1818","1826","","","","","","","","","","","","","","","","","","","","","","has coordinates","157203","2020-10-21","18:00:00",""
"4002516","2.801","","6.29","","10.573","","90","","90","","90","","186.278","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","Ca0.82 (Cu0.65 Co0.35 O2)","","- Co0.35 Cu0.65 O2 -","- Co0.35 Cu0.65 O2 -","- Co1.4 Cu2.6 O8 -","4","0.125","","Lambert, S.; Grebille, D.","A 4D composite description for Ca0.82 (Cu0.65 Co0.35 O2)","Chemistry of Materials (1,1989-)","2002","14","","4904","4909","","","","","","","","","","","","","","","","","","","","","","has coordinates","157206","2020-10-21","18:00:00",""
"4002517","3.391","","6.29","","10.573","","90","","90","","90","","225.516","","","","","","","","","","","","","1","F m m m","-F 2 2","69","","Ca0.82 (Cu0.65 Co0.35 O2)","","- Ca0.82 -","- Ca0.82 -","- Ca3.28 -","4","0.125","","Lambert, S.; Grebille, D.","A 4D composite description for Ca0.82 (Cu0.65 Co0.35 O2)","Chemistry of Materials (1,1989-)","2002","14","","4904","4909","","","","","","","","","","","","","","","","","","","","","","has coordinates","157209","2020-10-21","18:00:00",""
"4002518","5.415","","5.415","","13.476","","90","","90","","120","","342.207","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Pb0.92 P1.07 Mo4.93 O17","","- Mo4.93 O17 P1.07 Pb0.92 -","- Mo4.932 O17 P1.068 Pb0.9168 -","- Mo4.932 O17 P1.068 Pb0.9168 -","1","0.0833333","","Leclaire, A.; Chardon, J.; Provost, J.; Boudin, S.; Raveau, B.","A lead phosphomolybdenum purple bronze: Pb0.9 P Mo5 O17","Chemistry of Materials (1,1989-)","2002","14","","3427","3431","","","","","","","","","","","","","","","","","","","","","","has coordinates","157230","2020-10-21","18:00:00",""
"4002519","3.84481","","3.84481","","14.7709","","90","","90","","90","","218.352","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sr2 Mn O3 Cl","","- Cl Mn O3 Sr2 -","- Cl Mn O3 Sr2 -","- Cl2 Mn2 O6 Sr4 -","2","0.125","","Knee, C.S.; Zhukov, A.A.; Weller, M.T.","Crystal structures and magnetic properties of the manganese oxide chlorides Sr2 Mn O3 Cl and Sr4 Mn3 O8-y Cl2","Chemistry of Materials (1,1989-)","2002","14","","4249","4255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002520","3.86585","","3.86585","","32.2585","","90","","90","","90","","482.097","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr4 Mn3 O7.56 Cl2","","- Cl2 Mn3 O7.56 Sr4 -","- Cl2 Mn3 O7.56 Sr4 -","- Cl4 Mn6 O15.12 Sr8 -","2","0.0625","","Knee, C.S.; Zhukov, A.A.; Weller, M.T.","Crystal structures and magnetic properties of the manganese oxide chlorides Sr2 Mn O3 Cl and Sr4 Mn3 O8-y Cl2","Chemistry of Materials (1,1989-)","2002","14","","4249","4255","","","","","","","","","","","","","","","","","","","","","","has coordinates","157255","2020-10-21","18:00:00",""
"4002521","3.85706","","3.85706","","32.189","","90","","90","","90","","478.873","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr4 Mn3 O7.64 Cl2","","- Cl2 Mn3 O7.64 Sr4 -","- Cl2 Mn3 O7.64 Sr4 -","- Cl4 Mn6 O15.28 Sr8 -","2","0.0625","","Knee, C.S.; Zhukov, A.A.; Weller, M.T.","Crystal structures and magnetic properties of the manganese oxide chlorides Sr2 Mn O3 Cl and Sr4 Mn3 O8-y Cl2","Chemistry of Materials (1,1989-)","2002","14","","4249","4255","","","","","","","","","","","","","","","","","","","","","","has coordinates","157256","2020-10-21","18:00:00",""
"4002522","5.7096","","5.7096","","9.5574","","90","","90","","120","","269.825","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","K (Ti O2 (O H))","","- H K O3 Ti -","- K O3 Ti -","- K4 O12 Ti4 -","4","0.166667","","Masaki, N.; Yamane, H.; Uchida, S.; Sato, T.","Characterization of a new potassium titanate, K Ti O2 (O H) synthesized via hydrothermal method","Chemistry of Materials (1,1989-)","2002","14","","419","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002523","9.8889","","9.8889","","28.671","","90","","90","","120","","2428.12","","","","","","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","K (Ti O2 (O H))","","- H K O3 Ti -","- K O3 Ti -","- K36 O108 Ti36 -","36","3","","Masaki, N.; Uchida, S.; Sato, T.; Yamane, H.","Characterization of a new potassium titanate, K Ti O2 (O H) synthesized via hydrothermal method","Chemistry of Materials (1,1989-)","2002","14","","419","424","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002524","2.8212","","2.8212","","14.082","","90","","90","","120","","97.065","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Li (Co0.94 Mg0.06) O2","","- Co0.94 Li Mg0.06 O2 -","- Co0.94 Li Mg0.06 O2 -","- Co2.82 Li3 Mg0.18 O6 -","3","0.0833333","","Levasseur, S.; Menetrier, M.; Delmas, C.","On the dual effect of Mg doping in Li Co O2 and Li1+d Co O2: structural, electronic properties and (7)Li MAS NMR studies","Chemistry of Materials (1,1989-)","2002","14","","3584","3590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002525","19.8247","","20.1292","","13.451","","90","","90.29","","90","","5367.62","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Si24 O48) (C6 H14)1.423","","- C8.538 H19.922 O48 Si24 -","- C8.54 O48 Si24 -","- C34.16 O192 Si96 -","4","1","","Morell, H.; Angermund, K.; Fyfe, C.A.; Brouwer, D.H.; Gies, H.; Lewis, A.R.","Structural investigation of silicalite-I loaded with n-hexane by X-ray diffraction, (29)Si MAS NMR and molecular modeling","Chemistry of Materials (1,1989-)","2002","14","","2192","2198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002526","19.9111","","20.1346","","13.4081","","90","","90.5","","90","","5375.13","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Si24 O48) (C6 H14)1.905","","- C11.43 H26.67 O48 Si24 -","- C11.43 O48 Si24 -","- C45.72 O192 Si96 -","4","1","","Morell, H.; Angermund, K.; Fyfe, C.A.; Lewis, A.R.; Brouwer, D.H.; Gies, H.","Structural investigation of silicalite-I loaded with n-hexane by X-ray diffraction, (29)Si MAS NMR and molecular modeling","Chemistry of Materials (1,1989-)","2002","14","","2192","2198","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002527","9.5724","","7.1632","","9.978","","90","","108.816","","90","","647.618","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","Ga (N H3 (C H2)3 N H3) (P2 O7) F (H2 O)3","","- C3 H18 F Ga N2 O10 P2 -","- C3 F Ga N2 O10 P2 -","- C6 F2 Ga2 N4 O20 P4 -","2","0.5","","Millange, F.; Walton, R.I.; Guillou, N.; Ferey, G.; O'Hare, D.; Loiseau, T.","Synthesis and structure of low-dimensional gallium fluorodiphosphates seen during the crystallization of the three-dimensional microporous gallium fluorophosphate ULM-3","Chemistry of Materials (1,1989-)","2002","14","","4448","4459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002528","10.3093","","15.9456","","7.2219","","90","","90","","90","","1187.19","","","","","","","","","","","","","7","C m c m","-C 2c 2","63","","Ga (N H3 (C H2)3 N H3) (P2 O7) F (H2 O)","","- C3 H14 F Ga N2 O8 P2 -","- C3 F Ga N2 O8 P2 -","- C12 F4 Ga4 N8 O32 P8 -","4","0.25","","Millange, F.; Walton, R.I.; Guillou, N.; Loiseau, T.; O'Hare, D.; Ferey, G.","Synthesis and structure of low-dimensional gallium fluorodiphosphates seen during the crystallization of the three-dimensional microporous gallium fluorophosphate ULM-3","Chemistry of Materials (1,1989-)","2002","14","","4448","4459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002529","10.378","","10.378","","10.378","","90","","90","","90","","1117.74","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Rb2 Cd2 (S O4)3","","- Cd2 O12 Rb2 S3 -","- Cd2 O12 Rb2 S3 -","- Cd8 O48 Rb8 S12 -","4","0.333333","","Nalini, G.; Guru Row, T.N.","Variable temperature X-ray crystal structure analysis of a type I langbeinite: Rb2 Cd2 (S O4)3","Chemistry of Materials (1,1989-)","2002","14","","4729","4735","","","","","","","","","","","","","","","","","","","","","","has coordinates","157531","2020-10-21","18:00:00",""
"4002530","4.9432","","25.134","","11.617","","90","","97.78","","90","","1430.04","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","(Pb0.83 Sr2.26 O3) (Co O2)1.8","","- Co1.8 O6.6 Pb0.83 Sr2.26 -","- Co1.8 O6.6 Pb0.83 Sr2.26 -","- Co18 O66 Pb8.3 Sr22.6 -","10","2.5","","Pelloquin, D.; Maignan, A.; Hervieu, M.; Hebert, S.; Martin, C.; Michel, C.; Wang, L.-B.; Raveau, B.","New misfit cobaltites (Pb0.7 A0.4 Sr1.9 O3) (Co O2)1.8 (A = Hg, Co)with large thermopower","Chemistry of Materials (1,1989-)","2002","14","","3100","3105","","","","","","","","","","","","","","","","","","","","","","has coordinates","157550","2020-10-21","18:00:00",""
"4002531","13.6526","","13.6526","","13.6526","","90","","90","","90","","2544.76","","","","","","","","","","","","","5","P 41 3 2","P 4bd 2ab 3","213","","Cs16 Li13 (Li3 Zn8 Si36 O96) (H2 O)8","","- Cs16 Li3.996 O96 Si36.0048 Zn7.9992 -","- Cs16 Li3.996 O96 Si36.0048 Zn7.9992 -","- Cs16 Li3.996 O96 Si36.0048 Zn7.9992 -","1","0.0416667","","Park, S.-H.; Gies, H.; Parise, J.B.; Toby, B.H.","Characterization of a new microporous lithozincosilicate with ANA topology","Chemistry of Materials (1,1989-)","2002","14","","3187","3196","","","","","","","","","","","","","","","","","","","","","","has coordinates","157665","2020-10-21","18:00:00",""
"4002532","13.6526","","13.6526","","13.6526","","90","","90","","90","","2544.76","","","","","","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","Cs12.36 Li13 (Li2.2 Zn7.92 Si37.08 O96) (H2 O)3.24","","- Cs12.36 H6.48 Li15.2 O99.24 Si37.08 Zn7.92 -","- Cs12.36 Li15.2 O99.24 Si37.08 Zn7.92 -","- Cs12.36 Li15.2 O99.24 Si37.08 Zn7.92 -","1","0.0416667","","Park, S.-H.; Parise, J.B.; Gies, H.; Toby, B.H.","Characterization of a new microporous lithozincosilicate with ANA topology","Chemistry of Materials (1,1989-)","2002","14","","3187","3196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002533","11.8747","","6.486","","12.825","","90","","114.722","","90","","897.241","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","V (Mo S2)2","","- Mo2 S4 V -","- Mo1.998 S4 V1.002 -","- Mo15.984 S32 V8.016 -","8","2","","Vaqueiro, P.; Kosidowski, M.L.; Powell, A.V.","Structural distortions of the metal dichalcogenide units in A Mo2 S4 (A = V, Cr, Fe, Co) and magnetic and electrical properties","Chemistry of Materials (1,1989-)","2002","14","","1201","1209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002534","11.8431","","6.4964","","12.8221","","90","","113.949","","90","","901.57","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Cr (Mo S2)2","","- Cr Mo2 S4 -","- Cr Mo2 S4 -","- Cr8 Mo16 S32 -","8","2","","Vaqueiro, P.; Kosidowski, M.L.; Powell, A.V.","Structural distortions of the metal dichalcogenide units in A Mo2 S4 (A = V, Cr, Fe, Co) and magnetic and electrical properties","Chemistry of Materials (1,1989-)","2002","14","","1201","1209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002535","11.8148","","6.5499","","13.014","","90","","114.455","","90","","916.748","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Fe (Mo S2)2","","- Fe Mo2 S4 -","- Fe Mo2 S4 -","- Fe8 Mo16 S32 -","8","2","","Vaqueiro, P.; Kosidowski, M.L.; Powell, A.V.","Structural distortions of the metal dichalcogenide units in A Mo2 S4 (A = V, Cr, Fe, Co) and magnetic and electrical properties","Chemistry of Materials (1,1989-)","2002","14","","1201","1209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002536","11.7966","","6.5504","","12.695","","90","","115.53","","90","","885.191","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Co (Mo S2)2","","- Co Mo2 S4 -","- Co Mo2 S4 -","- Co8 Mo16 S32 -","8","2","","Vaqueiro, P.; Kosidowski, M.L.; Powell, A.V.","Structural distortions of the metal dichalcogenide units in A Mo2 S4 (A = V, Cr, Fe, Co) and magnetic and electrical properties","Chemistry of Materials (1,1989-)","2002","14","","1201","1209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002537","4.9508","","4.9508","","14.0316","","90","","90","","120","","297.844","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(V0.98 Mo0.02)2 O3","","- Mo0.04 O3 V1.96 -","- Mo0.04 O3 V1.96 -","- Mo0.24 O18 V11.76 -","6","0.166667","","Tenailleau, C.; Suard, E.; Rodriguez-Carvajal, J.; Crosnier-Lopez, M.P.; Lacorre, P.","Effect of Mo doping on the room-temperature structure of vanadium sesquioxide","Chemistry of Materials (1,1989-)","2002","14","","3569","3575","","","","","","","","","","","","","","","","","","","","","","has coordinates","157904","2020-10-21","18:00:00",""
"4002538","4.9405","","4.9405","","14.1631","","90","","90","","120","","299.385","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(V0.9 Mo0.1)2 O3","","- Mo0.2 O3 V1.8 -","- Mo0.2 O3 V1.8 -","- Mo1.2 O18 V10.8 -","6","0.166667","","Tenailleau, C.; Suard, E.; Rodriguez-Carvajal, J.; Crosnier-Lopez, M.P.; Lacorre, P.","Effect of Mo doping on the room-temperature structure of vanadium sesquioxide","Chemistry of Materials (1,1989-)","2002","14","","3569","3575","","","","","","","","","","","","","","","","","","","","","","has coordinates","157907","2020-10-21","18:00:00",""
"4002539","4.9309","","4.9309","","14.2819","","90","","90","","120","","300.725","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","(V0.8 Mo0.2)2 O3","","- Mo0.4 O3 V1.6 -","- Mo0.4 O3 V1.6 -","- Mo2.4 O18 V9.6 -","6","0.166667","","Tenailleau, C.; Lacorre, P.; Suard, E.; Rodriguez-Carvajal, J.; Crosnier-Lopez, M.P.","Effect of Mo doping on the room-temperature structure of vanadium sesquioxide","Chemistry of Materials (1,1989-)","2002","14","","3569","3575","","","","","","","","","","","","","","","","","","","","","","has coordinates","157910","2020-10-21","18:00:00",""
"4002540","11.7691","","11.7691","","13.3361","","90","","90","","120","","1599.73","","","","","","","","","","","","","4","P 32","P 32","145","","Pb6 B11 O18 (O H)9","","- B11 H9 O27 Pb6 -","- B11 O27 Pb6 -","- B33 O81 Pb18 -","3","1","","Yu, Z.-T.; Chen, J.-S.; Shi, Z.; Jiang, Y.-S.; Yuan, H.-M.","A chiral lead borate containing infinite and finite chains built up from B O4 and B O3 units","Chemistry of Materials (1,1989-)","2002","14","","1314","1318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002541","4.179","","4.179","","15.993","","90","","90","","120","","241.883","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Y0.67 Ni2 Ga4.33 Ge0.67","","- Ga4.33 Ge0.67 Ni2 Y0.67 -","- Ga4.33 Ge0.66 Ni2 Y0.67 -","- Ga8.66 Ge1.32 Ni4 Y1.34 -","2","0.0833333","","Zhuravleva, M.A.; Chen, X.Z.; Kannewurf, C.R.; Wang, X.-P.; Schultz, A.J.; Kanatzidis, M.G.; Ireland, J.","X-ray and neutron structure determination and magnetic properties of new quaternary phases RE0.67 Ni2 Ga5+n-x Gex and RE0.67 Ni2 Ga5+n-x Six (n= 0,1; RE= Y, Sm, Gd, Tb, Dy, Ho, Er, Tm) synthesized in liquid Ga","Chemistry of Materials (1,1989-)","2002","14","","3066","3081","","","","","","","","","","","","","","","","","","","","","","has coordinates","158158","2020-10-21","18:00:00",""
"4002542","4.1822","","4.1822","","9.24","","90","","90","","120","","139.963","","","","","","","","","","","","","4","P -6 m 2","P -6 2","187","","Y0.60 Co2 Ga5.33 Ge0.67","","- Co2 Ga5.33 Ge0.67 Y0.6 -","- Co2 Ga5.321 Ge0.66 Y0.597 -","- Co2 Ga5.321 Ge0.66 Y0.597 -","1","0.0833333","","Zhuravleva, M.A.; Ireland, J.; Wang, X.-P.; Chen, X.Z.; Kanatzidis, M.G.; Schultz, A.J.; Kannewurf, C.R.","X-ray and neutron structure determination and magnetic properties of new quaternary phases RE0.67 Ni2 Ga5+n-x Gex and RE0.67 Ni2 Ga5+n-x Six (n = 0,1; RE = Y, Sm, Gd, Tb, Dy, Ho, Er, Tm) synthesized in liquid Ga","Chemistry of Materials (1,1989-)","2002","14","","3066","3081","","","","","","","","","","","","","","","","","","","","","","has coordinates","158159","2020-10-21","18:00:00",""
"4002580","5.32854","","5.41493","","7.5628","","90","","90","","90","","218.215","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Sm Ni O3","","- Ni O3 Sm -","- Ni O3 Sm -","- Ni4 O12 Sm4 -","4","0.5","","Henry, P.F.; Weller, M.T.; Wilson, C.C.","Variable temperature powder neutron diffraction study of Sm Ni O3 through its M-I transition using a combination of samarium and nickel isotopic substitution","Chemistry of Materials (1,1989-)","2002","14","","4104","4110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4078347","9.4771","0.0014","13.267","0.002","8.8592","0.0014","104.94","0.02","102.778","0.014","79.516","0.013","1040.3","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H20 F6 Fe N O2 P Si -","- C17 H20 F6 Fe N O2 P Si -","- C34 H40 F12 Fe2 N2 O4 P2 Si2 -","2","1","","Kobayashi, Hideki; Ueno, Keiji; Ogino, Hiroshi","Synthesis of the Cationic Silyleneiron Complex [(.eta.-C5H5)Fe(CO)2:SiMe{2-(Me2NCH2)C6H4}]PF6 by Hydride Abstraction from a (Hydrosilyl)iron Complex with Ph3CPF6","Organometallics","1995","14","12","5490","","10.1021/om00012a014","","","0.71073","MoKα","","0.1662","0.0637","","0.1846","0.1399","","","","1.008","1.12","1.12","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078348","14.157","0.002","16.027","0.003","11.843","0.002","90","","92.83","0.02","90","","2683.8","0.8","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl2 F6 Fe N O3 P Si -","- C19 H26 Cl2 F6 Fe N O3 P Si -","- C76 H104 Cl8 F24 Fe4 N4 O12 P4 Si4 -","4","1","","Kobayashi, Hideki; Ueno, Keiji; Ogino, Hiroshi","Synthesis of the Cationic Silyleneiron Complex [(.eta.-C5H5)Fe(CO)2:SiMe{2-(Me2NCH2)C6H4}]PF6 by Hydride Abstraction from a (Hydrosilyl)iron Complex with Ph3CPF6","Organometallics","1995","14","12","5490","","10.1021/om00012a014","","","0.71073","MoKα","","0.3035","0.0729","","0.2525","0.1622","","","","0.99","1.226","1.226","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4343568","11.66","","7.16","","9.41","","90","","90","","90","","785.599","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs Ga Cl4","","- Cl4 Cs Ga -","- Cl4 Cs Ga -","- Cl16 Cs4 Ga4 -","4","0.5","","Gearhart, R.C.; Wood, R.H.; Beck, J.D.","Heats of Formation and Crystal Structures of Some Group 3 Tetrahalides. N (M X4)(c) (N=CsorNa, M=AlorGa, and X=ClorBr) and (C6 H5)4 As) (M Cl4)(c) (M=GaorIn). Donor-Acceptor Bond Energies for M X3-X where M=Al,Ga,In,and X=Cl,Br","Inorganic Chemistry","1975","14","","2413","2416","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343687","12.171","","12.171","","12.171","","90","","90","","90","","1802.93","","","","","","","","","","","","","7","P m -3 m","-P 4 2 3","221","","(Co4 Na4 (Al12 Si12 O48)) (C2 H2)4","","- C8 H8 Al12 Co4 Na4 O48 Si12 -","- C8.016 Al12 Co4 Na4 O48 Si12 -","- C8.016 Al12 Co4 Na4 O48 Si12 -","1","0.0208333","","Riley, P.E.; Seff, K.","Crystal structures of acetylene sorption complexes of partially manganese(II)-exchanged and partially cobalt(II)-exchanged forms of Zeolite A","Inorganic Chemistry","1975","14","","714","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","146065","2020-10-21","18:00:00",""
"4344107","7.945","","7.945","","4.13","","90","","90","","90","","260.698","","","","","","","","","","","","","4","P 4/n :2","-P 4a","85","","In F3 (H2 O)3","","- F3 H6 In O3 -","- F3 In O3 -","- F6 In2 O6 -","2","0.25","","Budonec, P.; Kaucic, V.","Reinvestigation of the crystal structure of indium trifluoride trihydrate","Inorganic and Nuclear Chemistry Letters","1978","14","","79","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344206","3.427","","3.427","","26.55","","90","","90","","120","","270.037","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","(Ti S2) (N H3)","","- H3 N S2 Ti -","- N S2 Ti -","- N3 S6 Ti3 -","3","0.166667","","Chianelli, R.R.; Scanlon, J.C.; Whittingham, M.S.; Gamble, F.R.","Structural studies of the intercalation complexes Ti S2 (N H3) and Ta S2 (N H3)","Inorganic Chemistry","1975","14","","1691","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344207","3.32","","3.32","","18.16","","90","","90","","120","","173.35","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ta S2 (N H3)","","- H3 N S2 Ta -","- N S2 Ta -","- N4 S8 Ta4 -","4","0.166667","","Chianelli, R.R.; Scanlon, J.C.; Whittingham, M.S.; Gamble, F.R.","Structural Studies of the Intercalation Complexes Ti S2 (N H3) and Ta S2 (N H3)","Inorganic Chemistry","1975","14","","1691","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344221","30.654","","9.528","","12.727","","90","","97.43","","90","","3685.98","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K3 (Mo2 (S O4)4) (H2 O)3.5","","- H7 K3 Mo2 O19.5 S4 -","- H7 K3 Mo2 O19.5 S4 -","- H56 K24 Mo16 O156 S32 -","8","1","","Cotton, F.A.; Webb, T.R.; Frenz, B.A.; Pedersen, E.","Magnetic and electrochemical properties of transition metal complexes with multiple metal-to-metal bonds. III. Characterization of tetrapotassium and tripotassium tetrasulfatodimolybdates","Inorganic Chemistry","1975","14","","391","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","161057","2020-10-21","18:00:00",""
"4344277","7.661","","6.928","","9.671","","87.4","","72.7","","116.4","","429.394","","","","","","","","","","","","","3","P -1","-P 1","2","","(Co (N H3)4 (N3)2) (Co (N H3)2 (N3)4)","","- Co2 H18 N24 -","- Co2 H18 N24 -","- Co2 H18 N24 -","1","0.5","","Druding, L.F.; Sancilio, F.D.; Lukaszweski, D.M.","Triammines of Cobalt(III). IV. Preparation, Properties, and Structure of the Polymerization Isomer trans-Diazidotetraaminecobalt(III) trans-Tetraazidodiamminecobaltate(III), (Co (N H3)4 (N3)2 ) (Co (N H3)2 (N3)4).","Inorganic Chemistry","1975","14","","1365","1369","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:59",""
"4344279","12.184","","9.777","","6.601","","90","","95.72","","90","","782.415","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(B9 H8 S)2","","- B18 H16 S2 -","- B18 H16 S2 -","- B36 H32 S4 -","2","0.5","","Pretzer, W.R.; Hilty, T.K.; Rudolph, R.W.","Crystal and Molecular Structure of 2,2'-Bis(1-thia-closo-decaborane(8)), 2,2'-(1-B9 H8 S)2","Inorganic Chemistry","1975","14","","2459","2462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4345037","7.1","0.002","7.857","0.002","17.421","0.004","90","","98.45","0.02","90","","961.3","0.4","","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 K3 O10 V -","- C2 H2 K3 O10 V -","- C8 H8 K12 O40 V4 -","4","1","","Begin, D.; Einstein, F. W. B.; Field, J.","An asymmetrically coordinated diperoxo compound. Crystal structure of K3[VO(O2)2(C2O4)].H2O","Inorganic Chemistry","1975","14","","1785","1790","10.1021/ic50150a009","","x-ray","0.71069","MoKα","","","0.056","","","0.078","","","","","","","","","","","has coordinates","190556","2020-10-21","18:00:00",""
"4505627","8.3881","0.0016","11.532","0.002","18.652","0.003","90","","97.916","0.001","90","","1787","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F N2 O5 -","- C19 H17 F N2 O5 -","- C76 H68 F4 N8 O20 -","4","1","","Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T.","Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides.","ACS combinatorial science","2012","14","3","218","223","10.1021/co2001873","","","1.54178","CuKα","","0.035","0.0349","","","0.0883","0.0884","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505628","13.4864","0.0013","20.1959","0.0019","16.1652","0.0015","90","","90.179","0.002","90","","4402.9","0.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 F N3 O5 -","- C22 H26 F N3 O5 -","- C176 H208 F8 N24 O40 -","8","2","","Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T.","Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides.","ACS combinatorial science","2012","14","3","218","223","10.1021/co2001873","","","0.71073","MoKα","","0.0462","0.036","","","0.0871","0.0923","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4505629","7.7789","0.0008","13.1511","0.0013","16.1282","0.0016","76.669","0.001","84.6","0.001","77.944","0.001","1568.2","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26.33 Cl3.67 N4 O9 -","- C29 H26.33 Cl3.67 N4 O9 -","- C58 H52.66 Cl7.34 N8 O18 -","2","1","","Tan, Darlene Q.; Atherton, Amy L.; Smith, Austin J.; Soldi, Cristian; Hurley, Katherine A.; Fettinger, James C.; Shaw, Jared T.","Synthesis of a γ-Lactam Library via Formal Cycloaddition of Imines and Substituted Succinic Anhydrides.","ACS combinatorial science","2012","14","3","218","223","10.1021/co2001873","","","0.71073","MoKα","","0.0424","0.0388","","","0.1094","0.1122","","","","","","1.058","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505630","8.6868","0.0003","12.061","0.0003","16.5857","0.0006","90","","90.843","0.002","90","","1737.52","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O S4 -","- C16 H12 N2 O S4 -","- C64 H48 N8 O4 S16 -","4","1","","Verma, Rajiv Kumar; Verma, Girijesh Kumar; Shukla, Gaurav; Nagaraju, Anugula; Singh, Maya Shankar","4-Dimethylamino Pyridine-Promoted One-Pot Three-Component Regioselective Synthesis of Highly Functionalized 4H-Thiopyrans via Heteroannulation of β-Oxodithioesters.","ACS combinatorial science","2012","14","3","224","230","10.1021/co200203e","","","0.71073","MoKα","","0.0495","0.0374","","","0.1104","0.1216","","","","","","0.982","","","","has coordinates","301842","2025-08-21","00:37:16",""
"4506575","10.9445","0.0005","17.8505","0.0007","9.2774","0.0004","90","","104.951","0.002","90","","1751.12","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","1","","Xu, Zhigang; Ayaz, Muhammad; Cappelli, Alexandra A.; Hulme, Christopher","General One-pot, Two-Step Protocol Accessing a Range of Novel Polycyclic Heterocycles with High Skeletal Diversity.","ACS combinatorial science","2012","14","8","460","464","10.1021/co300046r","","","0.71073","MoKα","","0.0469","0.0364","","","0.09","0.0968","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4506576","13.1973","0.0006","14.8812","0.0007","10.1948","0.0005","90","","110.978","0.003","90","","1869.47","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F3 N4 O2 -","- C21 H19 F3 N4 O2 -","- C84 H76 F12 N16 O8 -","4","1","","Xu, Zhigang; Ayaz, Muhammad; Cappelli, Alexandra A.; Hulme, Christopher","General One-pot, Two-Step Protocol Accessing a Range of Novel Polycyclic Heterocycles with High Skeletal Diversity.","ACS combinatorial science","2012","14","8","460","464","10.1021/co300046r","","","1.54178","CuKα","","0.0498","0.0368","","","0.0906","0.1003","","","","","","1.034","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506577","6.1622","0.0006","8.8128","0.0009","29.313","0.003","90","","90","","90","","1591.9","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.0606","0.0534","","","0.1252","0.1292","","","","","","1.095","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4506578","22.398","0.003","15.1572","0.0017","23.824","0.003","90","","90","","90","","8088","1.7","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C360 H480 O72 -","24","3","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.0791","0.0569","","","0.1651","0.178","","","","","","1.077","","","","has coordinates,has disorder","301842","2025-08-21","00:37:18",""
"4506579","6.801","0.01","8.232","0.012","28.08","0.04","95.03","0.02","90.61","0.02","91.551","0.019","1565","4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H18 Cl2 O3 -","- C23 H18 Cl2 O3 -","- C46 H36 Cl4 O6 -","2","2","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.1714","0.1574","","","0.3464","0.3702","","","","","","1.363","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4506580","8.9227","0.0018","14.534","0.003","15.883","0.003","90","","92.475","0.003","90","","2057.8","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.0529","0.043","","","0.1271","0.1351","","","","","","1.076","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4506581","8.362","0.002","16.147","0.004","11.767","0.003","90","","96.513","0.004","90","","1578.5","0.7","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.0739","0.063","","","0.2021","0.2112","","","","","","1.094","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4507134","5.6996","0.0006","12.8774","0.0013","18.4471","0.0018","90","","90","","90","","1353.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br N O3 -","- C14 H16 Br N O3 -","- C56 H64 Br4 N4 O12 -","4","1","","Gerard, Baudouin; O'Shea, Morgan Welzel; Donckele, Etienne; Kesavan, Sarathy; Akella, Lakshmi B.; Xu, Hao; Jacobsen, Eric N.; Marcaurelle, Lisa A.","Application of a catalytic asymmetric Povarov reaction using chiral ureas to the synthesis of a tetrahydroquinoline library.","ACS combinatorial science","2012","14","11","621","630","10.1021/co300098v","","","0.71073","MoKα","","0.027","0.0236","","","0.0587","0.06","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:18",""
"4509852","13.1181","0.0008","18.3396","0.0011","21.5614","0.0013","90","","101.558","0.001","90","","5082.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 N5 Ni4 O14 -","- C37 H27 N5 Ni4 O14 -","- C148 H108 N20 Ni16 O56 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","","","0.0967","0.0576","","","0.1772","0.2113","","","","","","1.012","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509853","13.0294","0.0011","18.5533","0.0014","22.0018","0.0017","90","","102.837","0.0016","90","","5185.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","JMC179verdes","","","- C38 H29 N5 Ni4 O15 -","- C38 H29 N5 Ni4 O15 -","- C152 H116 N20 Ni16 O60 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","","","0.1615","0.0824","","","0.2389","0.3001","","","","","","1.015","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509854","13.243","0.0006","18.2511","0.0008","21.8973","0.001","90","","104.174","0.001","90","","5131.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","JMC180ver","","","- C39 H31 N5 Ni4 O16 -","- C39 H31 N5 Ni4 O16 -","- C156 H124 N20 Ni16 O64 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","","","0.0714","0.0531","","","0.1869","0.2049","","","","","","1.037","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509855","13.1308","0.0011","18.3853","0.0014","21.7336","0.0018","90","","101.981","0.002","90","","5132.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H35 N5 Ni4 O17 -","- C41 H35 N5 Ni4 O17 -","- C164 H140 N20 Ni16 O68 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","MoKα","","0.1182","0.0684","","","0.1864","0.2211","","","","","","1.047","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509856","13.0531","0.001","18.5575","0.0013","22.1139","0.0016","90","","103.263","0.001","90","","5213.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TV95ver","","","- C40 H33 N5 Ni4 O17 -","- C40 H33 N5 Ni4 O17 -","- C160 H132 N20 Ni16 O68 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","","","0.1593","0.088","","","0.2407","0.3078","","","","","","1.021","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509857","8.9303","0.0003","17.7866","0.0006","7.9821","0.0003","90","","96.7172","0.0016","90","","1259.17","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 N3 Ta -","- C10 H10 F6 N3 Ta -","- C40 H40 F24 N12 Ta4 -","4","1","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.","Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒","Crystal Growth & Design","2014","14","2","844","","10.1021/cg401710j","","x-ray","0.71069","MoKα","","0.0163","0.0157","","","0.0358","0.036","","","","","","1.081","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509858","7.1842","0.0003","13.2358","0.0005","20.0804","0.0008","74.8179","0.0019","89.3805","0.0017","85.8098","0.0016","1837.78","0.13","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H10 F5 N2 O Ta -","- C10 H10 F4.99333 N2 O1.00667 Ta -","- C60 H60 F29.96 N12 O6.04 Ta6 -","6","3","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.","Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒","Crystal Growth & Design","2014","14","2","844","","10.1021/cg401710j","","x-ray","0.71069","MoKα","","0.0656","0.0337","","","0.0656","0.0759","","","","","","1.009","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509859","9.9102","0.0003","7.5768","0.0003","11.594","0.0004","90","","106.918","0.0018","90","","832.89","0.05","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 F7 N2 Ta -","- C2 H10 F7 N2 Ta -","- C8 H40 F28 N8 Ta4 -","4","0.5","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.","Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒","Crystal Growth & Design","2014","14","2","844","","10.1021/cg401710j","","x-ray","0.71069","MoKα","","0.0167","0.0152","","","0.0346","0.0351","","","","","","1","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509860","7.9759","0.0005","10.6923","0.0007","10.9369","0.0007","86.247","0.005","79.053","0.005","80.548","0.005","902.74","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","furosemide 1,4-dioxane solvate","","","- C16 H19 Cl N2 O7 S -","- C16 H19 Cl N2 O7 S -","- C32 H38 Cl2 N4 O14 S2 -","2","1","","Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?","Crystal Growth & Design","2014","14","2","513","","10.1021/cg401257w","","","0.71073","MoKα","","0.0519","0.0345","","","0.0818","0.0907","","","","","","1.016","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509861","10.9529","0.0005","8.3816","0.0003","20.0071","0.0009","90","","95.024","0.004","90","","1829.65","0.13","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","furosemide tetrahydrofuran solvate","","","- C16 H19 Cl N2 O6 S -","- C16 H19 Cl N2 O6 S -","- C64 H76 Cl4 N8 O24 S4 -","4","1","","Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?","Crystal Growth & Design","2014","14","2","513","","10.1021/cg401257w","","","0.71073","MoKα","","0.0499","0.0349","","","0.0825","0.0865","","","","","","1.055","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509862","12.143","0.0005","12.405","0.0004","24.3562","0.0011","90","","99.52","0.003","90","","3618.3","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","furosemide N,N-dimethylformamide solvate","","","- C15 H18 Cl N3 O6 S -","- C15 H18 Cl N3 O6 S -","- C120 H144 Cl8 N24 O48 S8 -","8","2","","Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?","Crystal Growth & Design","2014","14","2","513","","10.1021/cg401257w","","","0.71073","MoKα","","0.0763","0.0429","","","0.0819","0.0915","","","","","","0.969","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509863","29.426","0.006","9.1549","0.0018","27.559","0.006","90","","115.5","0.03","90","","6701","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cd2 N2 O12 -","- C32 H26 Cd2 N2 O12 -","- C256 H208 Cd16 N16 O96 -","8","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71073","MoKα","","0.0855","0.0692","","","0.1695","0.1857","","","","","","1.196","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509864","45.787","0.015","16.599","0.005","17.858","0.006","90","","90","","90","","13572","8","113","2","113","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C74 H66 Cd2 N8 O10 Zn0 -","- C74 H62 Cd2 N8 O10 -","- C592 H496 Cd16 N64 O80 -","8","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71075","MoKα","","0.1205","0.1103","","","0.2665","0.2746","","","","","","1.146","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509865","10.933","0.002","14.321","0.003","14.435","0.003","67.19","0.03","83.4","0.03","71.99","0.03","1981.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 Cd2 N4 O10 -","- C46 H36 Cd2 N4 O10 -","- C92 H72 Cd4 N8 O20 -","2","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71073","MoKα","","0.0736","0.0533","","","0.1246","0.1413","","","","","","1.122","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509866","17.001","0.003","8.5304","0.0017","23.469","0.008","90","","127.642","0.019","90","","2695.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cd2 N O12 -","- C27 H14 Cd2 N O12 -","- C108 H56 Cd8 N4 O48 -","4","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71073","MoKα","","0.0883","0.0671","","","0.1708","0.1925","","","","","","1.139","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509867","5.7626","0.0002","9.672","0.0005","10.8216","0.0004","76.15","0.003","87.995","0.004","72.813","0.004","559.05","0.04","","","77","","","","1013","","","","","4","P -1","-P 1","2","","aqua-1-hydroxy-1,1-di(dihydrogenphosphonato)ethane-calcium hemipentahydrate","","- C2 Ca O10.5 P2 -","- C2 Ca O10.5 P2 -","- C4 Ca2 O21 P4 -","2","1","","Niekiel, Felicitas; Stock, Norbert","Discovery of New Calcium Etidronates Employing Ultrasound Adapted High-Throughput Methods","Crystal Growth & Design","2014","14","2","599","","10.1021/cg401459a","","x-ray","0.825986","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509868","11.3975","0.0008","5.756","0.0004","15.4086","0.001","90","","94.012","0.007","90","","1008.39","0.12","","","77","","","","1013","","","","","5","P 1 21/c 1","-P 2ybc","14","","aqua-1-hydroxy-1,1-(hydrogendiphosphonato)ethane-calcium potassium hydrate","","- C2 Ca K O9 P2 -","- C2 Ca K O9 P2 -","- C8 Ca4 K4 O36 P8 -","4","1","","Niekiel, Felicitas; Stock, Norbert","Discovery of New Calcium Etidronates Employing Ultrasound Adapted High-Throughput Methods","Crystal Growth & Design","2014","14","2","599","","10.1021/cg401459a","","x-ray","0.825986","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509869","17.832","0.004","17.832","0.004","17.832","0.004","90","","90","","90","","5670","2","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H30 Cl N10 Na O6 -","- C24 H30 Cl N10 Na O6 -","- C192 H240 Cl8 N80 Na8 O48 -","8","0.333333","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0813","0.0689","","","0.1801","0.1914","","","","","","1.072","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509870","18.148","0.002","18.148","0.002","18.148","0.002","90","","90","","90","","5977","1.1","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H30 Cl K N10 O6 -","- C24 H30 Cl K N10 O6 -","- C192 H240 Cl8 K8 N80 O48 -","8","0.333333","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0669","0.0556","","","0.1617","0.1695","","","","","","1.076","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509871","13.139","0.005","13.139","0.005","30.095","0.012","90","","90","","120","","4499","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 Cl2 Mg N20 O12 -","- C48 H72 Cl2 Mg N20 O12 -","- C144 H216 Cl6 Mg3 N60 O36 -","3","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0925","0.0543","","","0.1395","0.199","","","","","","1.189","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509872","13.241","0.002","13.241","0.002","31.07","0.005","90","","90","","120","","4717.5","1.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 Ca Cl2 N20 O12 -","- C48 H72 Ca Cl2 N20 O12 -","- C144 H216 Ca3 Cl6 N60 O36 -","3","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.047","0.0326","","","0.0738","0.0941","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509873","13.201","0.004","13.201","0.004","30.575","0.009","90","","90","","120","","4614","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 Cl2 Mn N20 O12 -","- C48 H72 Cl2 Mn N20 O12 -","- C144 H216 Cl6 Mn3 N60 O36 -","3","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0456","0.0329","","","0.0963","0.1024","","","","","","1.155","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509874","13.403","0.003","13.403","0.003","8.6697","0.0017","90","","90","","120","","1348.8","0.5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H60 Cl2 Mn N20 O6 -","- C48 H60 Cl2 Mn N20 O6 -","- C48 H60 Cl2 Mn N20 O6 -","1","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0647","0.0429","","","0.1194","0.1451","","","","","","0.841","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509875","13.4","0.01","13.4","0.01","8.73","0.006","90","","90","","120","","1357.5","1.7","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H60 Cl2 Co N20 O6 -","- C48 H60 Cl2 Co N20 O6 -","- C48 H60 Cl2 Co N20 O6 -","1","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.1088","0.0518","","","0.1069","0.1261","","","","","","1.11","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509876","18.037","0.006","18.037","0.006","18.037","0.006","90","","90","","90","","5868","3","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H30 F K N10 O6 -","- C24 H30 F K N10 O6 -","- C192 H240 F8 K8 N80 O48 -","8","0.333333","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.1054","0.075","","","0.1486","0.1681","","","","","","1.033","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509877","11.948","0.004","12.066","0.004","12.125","0.004","65.2","0.004","72.767","0.004","69.079","0.004","1459.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H68 N20 Na2 O14 -","- C49 H68 N20 Na2 O14 -","- C49 H68 N20 Na2 O14 -","1","0.5","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.1433","0.0704","","","0.1186","0.1433","","","","","","1.014","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4509878","12.159","0.003","12.311","0.003","12.361","0.003","68.914","0.004","65.452","0.005","72.928","0.005","1547.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H34 K N10 O7 -","- C24.5 H34 K N10 O7 -","- C49 H68 K2 N20 O14 -","2","1","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.092","0.0656","","","0.1356","0.1521","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509879","22.0143","0.0018","9.8317","0.0009","22.891","0.002","90","","112.715","0.005","90","","4570.2","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C182 H33 Cl -","- C182 H33 Cl -","- C364 H66 Cl2 -","2","0.5","","Filatov, Alexander S.; Ferguson, Michael V.; Spisak, Sarah N.; Li, Bo; Campana, Charles F.; Petrukhina, Marina A.","Bowl-Shaped Polyarenes as Concave‒Convex Shape Complementary Hosts for C60- and C70-Fullerenes","Crystal Growth & Design","2014","14","2","756","","10.1021/cg401616j","","","1.54178","CuKα","","0.0899","0.0561","","","0.1187","0.1361","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509880","15.8747","0.0006","16.0091","0.0006","18.2908","0.0007","66.713","0.002","71.6","0.002","80.733","0.002","4047.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C144 H40 Cl6 -","- C144 H40 Cl6 -","- C288 H80 Cl12 -","2","1","","Filatov, Alexander S.; Ferguson, Michael V.; Spisak, Sarah N.; Li, Bo; Campana, Charles F.; Petrukhina, Marina A.","Bowl-Shaped Polyarenes as Concave‒Convex Shape Complementary Hosts for C60- and C70-Fullerenes","Crystal Growth & Design","2014","14","2","756","","10.1021/cg401616j","","","1.54178","CuKα","","0.1231","0.0659","","","0.1278","0.1511","","","","","","1.02","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509881","15.1465","0.0004","17.4664","0.0006","17.4943","0.0005","113.765","0.003","108.654","0.002","98.054","0.002","3815.2","0.2","293","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,3-Benzenediol-diethyl N,N'-(1,3-phenylene)dioxalamate complex","","- C74 H82 N8 O30 -","- C74 H82 N8 O30 -","- C148 H164 N16 O60 -","2","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding","Crystal Growth & Design","2014","14","2","628","","10.1021/cg401500k","","","1.5418","CuKα","","0.105","0.0887","","","0.277","0.2962","","","","","","1.013","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509882","4.941","0.0002","18.7803","0.0005","11.2062","0.0004","90","","97.223","0.003","90","","1031.61","0.06","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","5-Methyl-1,3-benzenediol-diethyl N,N'-(1,3-phenylene) dioxalamate complex","","- C21 H24 N2 O8 -","- C21 H24 N2 O8 -","- C42 H48 N4 O16 -","2","0.5","","González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding","Crystal Growth & Design","2014","14","2","628","","10.1021/cg401500k","","","1.54184","CuKα","","0.0537","0.042","","","0.1085","0.1181","","","","","","1.039","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509883","15.8182","0.0007","18.9181","0.0006","11.3683","0.0004","90","","92.369","0.004","90","","3399.1","0.2","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6-di-tbutyl-1,3-benzenediol-diethyl N,N'-(1,3-phenylene)dioxalamate","","- C29 H39 Cl3 N2 O8 -","- C29 H39 Cl3 N2 O8 -","- C116 H156 Cl12 N8 O32 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding","Crystal Growth & Design","2014","14","2","628","","10.1021/cg401500k","","","1.5418","CuKα","","0.1163","0.0907","","","0.2786","0.3207","","","","","","1.041","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509884","14.497","0.005","17.021","0.006","12.332","0.004","90","","103.739","0.016","90","","2955.9","1.8","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 N2 O11 S -","- C26 H46 N2 O11 S -","- C104 H184 N8 O44 S4 -","4","1","","Bis, Joanna A.; Boyle, Paul D.; Carino, Stephen A. R.; Igo, David H.; Katrincic, Lee M.","Crystallization and Solid-State Characterization of the Hemihydrate of Albuterol Hemisulfate","Crystal Growth & Design","2014","14","2","775","","10.1021/cg4016405","","","0.71073","MoKα","","0.1144","0.064","","","0.1534","0.1819","","","","","","1.013","","","","has coordinates,has disorder","301842","2025-08-21","00:37:21",""
"4509885","14.587","0.003","7.6483","0.0013","18.132","0.003","90","","102.264","0.002","90","","1976.7","0.6","173","2","173","2","","","101","","","","","7","P 1 21/n 1","-P 2yn","14","[CpCoS2N2H][BF4]","N2-5-(eta-5-Cyclopentadienyl)-5-cobalta-1,3,2,4-dithiadiazolium tetrafluoroborate","","- C5 H6 B Co F4 N2 S2 -","- C5 H6 B Co F4 N2 S2 -","- C40 H48 B8 Co8 F32 N16 S16 -","8","2","","Boeré, René T.","Hydrogen-Bonding Motifs in MS2N2H Metallacycles: A Crystallographic and Computational Study of [CpCoS2N2H][BF4]","Crystal Growth & Design","2014","14","2","814","","10.1021/cg401674w","","x-ray","0.71073","MoKα","","0.1209","0.0577","","","0.1194","0.1452","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509886","10.284","0.003","31.388","0.01","20.904","0.007","90","","103.189","0.009","90","","6570","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Ag Cl3 F6 N3 O8 P -","- C24 H15 Ag N3 O6 -","- C192 H120 Ag8 N24 O48 -","8","1","","Mukherjee, Gargi; Biradha, Kumar","Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering","Crystal Growth & Design","2014","14","2","419","","10.1021/cg401858s","","","0.71073","MoKα","","0.0892","0.0462","","","0.1164","0.1334","","","","","","0.565","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509887","20.565","0.008","22.834","0.008","7.502","0.003","90","","90.73","0.012","90","","3523","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Cl6 N3 O13 -","- C33 H20 N3 O12 -","- C132 H80 N12 O48 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering","Crystal Growth & Design","2014","14","2","419","","10.1021/cg401858s","","","0.71073","MoKα","","0.1753","0.0645","","","0.1473","0.187","","","","","","0.732","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509888","10.889","0.006","13.384","0.007","17.35","0.013","104.96","0.02","103.6","0.02","102.482","0.017","2269","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H62 Ag2 Cl6 F12 N6 O12 P2 -","- C96 H60 Ag2 F12 N6 O12 P2 -","- C96 H60 Ag2 F12 N6 O12 P2 -","1","0.5","","Mukherjee, Gargi; Biradha, Kumar","Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering","Crystal Growth & Design","2014","14","2","419","","10.1021/cg401858s","","","0.71073","MoKα","","0.1673","0.0653","","","0.1574","0.1913","","","","","","0.802","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509889","10.5932","0.0019","4.7331","0.0008","17.179","0.003","90","","98.548","0.007","90","","851.8","0.3","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H23.8 N4 O8.9 -","- C12 H23.812 N4 O8.906 -","- C24 H47.624 N8 O17.812 -","2","1","","Nath, Naba K.; Yasuda, Nobuhiro; Rabeh, Wael M.; Sahoo, Subash Chandra; Naumov, Panče","Structural Elucidation of the Neuraminidase Inhibitor Zanamivir (Relenza): Creeping and Diffusion for Polymorph Separation","Crystal Growth & Design","2014","14","2","770","","10.1021/cg4016383","","","0.61948","Synchrotron","","0.0804","0.0538","","","0.1234","0.1374","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509890","8.8194","0.0012","9.2436","0.0014","20.227","0.003","90","","90","","90","","1649","0.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23.4 N4 O8.7 -","- C12 H23.404 N4 O8.702 -","- C48 H93.616 N16 O34.808 -","4","1","","Nath, Naba K.; Yasuda, Nobuhiro; Rabeh, Wael M.; Sahoo, Subash Chandra; Naumov, Panče","Structural Elucidation of the Neuraminidase Inhibitor Zanamivir (Relenza): Creeping and Diffusion for Polymorph Separation","Crystal Growth & Design","2014","14","2","770","","10.1021/cg4016383","","","0.61948","Synchrotron","","0.0334","0.0327","","","0.093","0.0936","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509891","29.1206","0.0015","9.0225","0.0004","20.0291","0.0011","90","","131.787","0.0011","90","","3923.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H17 N0.5 Ni0.5 O3 S5 -","- C16.5 H17 N0.5 Ni0.5 O3 S5 -","- C132 H136 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.0347","0.0329","","","0.079","0.0801","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509892","29.274","0.0011","9.0709","0.0003","20.0025","0.0009","90","","131.915","0.0009","90","","3952.5","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C132 H128 F4 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.0627","0.0446","","","0.1124","0.1674","","","","","","1.201","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509893","28.969","0.002","9.0811","0.0006","20.0477","0.0013","90","","131.492","0.0014","90","","3950.4","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C132 H128 F4 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.1114","0.065","","","0.1732","0.2388","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509894","29.326","0.0012","9.0664","0.0004","20.2033","0.0008","90","","132.153","0.001","90","","3982.3","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H17 N0.5 Ni0.5 O3 S5 -","- C16.5 H17 N0.5 Ni0.5 O3 S5 -","- C132 H136 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.0458","0.034","","","0.0778","0.1005","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509895","29.103","0.002","9.1316","0.0005","20.203","0.0013","90","","131.73","0.0017","90","","4006.9","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C132 H128 F4 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.1081","0.0464","","","0.1049","0.1568","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509896","29.4415","0.0011","9.109","0.0003","20.1583","0.0009","90","","132.211","0.0009","90","","4004.2","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C132 H128 F4 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.0808","0.0434","","","0.1008","0.1635","","","","","","1.158","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509897","9.6191","0.001","10.0535","0.0011","12.8335","0.0014","71.676","0.001","87.048","0.002","75.916","0.001","1142.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O6 Zn -","- C26 H20 N2 O6 Zn -","- C52 H40 N4 O12 Zn2 -","2","1","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0723","0.0672","","","0.1974","0.2037","","","","","","1.006","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509898","10.9063","0.0004","10.9553","0.0004","16.599","0.0007","90","","101.655","0.001","90","","1942.39","0.13","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H12 N O5 Zn -","- C17 H12 N O5 Zn -","- C68 H48 N4 O20 Zn4 -","4","1","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0541","0.0384","","","0.1036","0.1074","","","","","","1.005","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509899","7.2562","0.0014","10.207","0.002","11.423","0.002","108.061","0.002","92.203","0.003","99.553","0.003","789.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Co N4 O10 -","- C32 H36 Co N4 O10 -","- C32 H36 Co N4 O10 -","1","0.5","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0562","0.05","","","0.1271","0.1324","","","","","","1.014","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509900","7.3036","0.0003","10.4501","0.0004","11.5545","0.0004","108.251","0.001","94.805","0.001","98.434","0.001","820.52","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cd N4 O10 -","- C32 H24 Cd N4 O10 -","- C32 H24 Cd N4 O10 -","1","0.5","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0349","0.0346","","","0.0913","0.0917","","","","","","1.044","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509901","10.2536","0.0005","11.9941","0.0006","25.9444","0.0012","90","","105.733","0.002","90","","3071.2","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H29 Co N2 O6.5 -","- C34 H29 Co N2 O6.5 -","- C136 H116 Co4 N8 O26 -","4","1","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0789","0.0454","","","0.0992","0.1048","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509902","34.0012","0.003","34.0012","0.003","154.0023","0.005","90","","90","","120","","154186","2","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C168 H96 N12 O79 P12 Zn11 -","- C168 H96 N12 O79 P12 Zn11 -","- C2016 H1152 N144 O948 P144 Zn132 -","12","0.333333","","Li, Bao; Chen, Xi; Yu, Fan; Yu, Wenjing; Zhang, Tianle; Sun, Di","Luminescent Response of One Anionic Metal‒Organic Framework Based on Novel Octa-nuclear Zinc Cluster to Exchanged Cations","Crystal Growth & Design","2014","14","2","410","","10.1021/cg401766j","","","0.71073","MoKα","","0.2588","0.1401","","","0.351","0.4341","","","","","","1.173","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509903","18.8141","0.0005","16.8612","0.0003","16.0353","0.0003","90","","94.892","0.001","90","","5068.32","0.19","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H80 N4 O12 -","- C46 H80 N4 O12 -","- C184 H320 N16 O48 -","4","1","","Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Hardy, Micaël; Rizzato, Egon; Monnier, Valérie; Zaman, Md. Badruz; Chan, Gordon; Udachin, Konstantin; Enright, Gary; Tordo, Paul; Ouari, Olivier","Hosting Various Guests Including Fullerenes and Free Radicals in Versatile Organic ParamagneticbTbkOpen Frameworks","Crystal Growth & Design","2014","14","2","467","","10.1021/cg401097e","","x-ray","0.71073","MoKα","","0.1418","0.0788","","","0.1735","0.2107","","","","","","1.012","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509904","49.7671","0.0012","49.7671","0.0012","29.6709","0.0016","90","","90","","120","","63642","4","100","0.1","100","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C133.53 H207.47 N8 O24 -","- C133.44 H207.36 N8 O24 -","- C2401.92 H3732.48 N144 O432 -","18","1","","Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Hardy, Micaël; Rizzato, Egon; Monnier, Valérie; Zaman, Md. Badruz; Chan, Gordon; Udachin, Konstantin; Enright, Gary; Tordo, Paul; Ouari, Olivier","Hosting Various Guests Including Fullerenes and Free Radicals in Versatile Organic ParamagneticbTbkOpen Frameworks","Crystal Growth & Design","2014","14","2","467","","10.1021/cg401097e","","","0.7107","MoKα","","0.1504","0.0937","","","0.2465","0.3146","","","","","","1.042","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509905","8.8854","0.0005","13.3231","0.0005","14.7403","0.0007","90","","101.159","0.005","90","","1711.98","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O6 S2 -","- C14 H17 N3 O6 S2 -","- C56 H68 N12 O24 S8 -","4","1","","Hu, Yun; Gniado, Katarzyna; Erxleben, Andrea; McArdle, Patrick","Mechanochemical Reaction of Sulfathiazole with Carboxylic Acids: Formation of a Cocrystal, a Salt, and Coamorphous Solids","Crystal Growth & Design","2014","14","2","803","","10.1021/cg401673z","","","0.71073","MoKα","","0.0582","0.0356","","","0.0848","0.0949","","","","","","1.013","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509906","8.0392","0.0006","19.9339","0.001","8.636","0.0003","90","","97.715","0.004","90","","1371.41","0.13","150.1","0.1","150.1","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O6 S2 -","- C11 H11 N3 O6 S2 -","- C44 H44 N12 O24 S8 -","4","1","","Hu, Yun; Gniado, Katarzyna; Erxleben, Andrea; McArdle, Patrick","Mechanochemical Reaction of Sulfathiazole with Carboxylic Acids: Formation of a Cocrystal, a Salt, and Coamorphous Solids","Crystal Growth & Design","2014","14","2","803","","10.1021/cg401673z","","","0.71073","MoKα","","0.0549","0.0399","","","0.1043","0.1246","","","","","","1.211","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509907","12.46","0.005","9.968","0.005","14.021","0.005","90","0.005","114.069","0.005","90","0.005","1590","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cu N2 O8 -","- C14 H8 Cu N2 O8 -","- C28 H16 Cu2 N4 O16 -","2","0.5","","Mohapatra, Chandrajeet; Chandrasekhar, Vadapalli","Two-Dimensional Homometallic- to a Three Dimensional Heterometallic Coordination Polymer: A Metalloligand Approach","Crystal Growth & Design","2014","14","2","406","","10.1021/cg401698a","","","0.71069","MoKα","","0.0853","0.0722","","","0.232","0.2445","","","","","","1.151","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509908","10.901","0.005","10.346","0.005","11.834","0.005","90","0.005","107.066","0.005","90","0.005","1275.9","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cu N2 O8 Sn2 -","- C20 H24 Cu N2 O8 Sn2 -","- C40 H48 Cu2 N4 O16 Sn4 -","2","0.5","","Mohapatra, Chandrajeet; Chandrasekhar, Vadapalli","Two-Dimensional Homometallic- to a Three Dimensional Heterometallic Coordination Polymer: A Metalloligand Approach","Crystal Growth & Design","2014","14","2","406","","10.1021/cg401698a","","","0.71069","MoKα","","0.0368","0.0309","","","0.0749","0.0895","","","","","","1.094","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509909","7.791","0.002","9.064","0.002","16.531","0.005","86.551","0.007","85.974","0.007","78.416","0.008","1139.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Br5 N4 O -","- C20 H19 Br5 N4 O -","- C40 H38 Br10 N8 O2 -","2","1","","Manna, Prankrishna; Seth, Saikat Kumar; Bauzá, Antonio; Mitra, Monojit; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata","pH Dependent Formation of Unprecedented Water–Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study","Crystal Growth & Design","2014","14","2","747","","10.1021/cg401615r","","","0.71073","MoKα","","0.0751","0.0555","","","0.1354","0.1459","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509910","8.6394","0.0011","25.895","0.003","12.1559","0.0011","90","","124.25","0.006","90","","2247.9","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Br3 N4 O3 -","- C20 H23 Br3 N4 O3 -","- C80 H92 Br12 N16 O12 -","4","1","","Manna, Prankrishna; Seth, Saikat Kumar; Bauzá, Antonio; Mitra, Monojit; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata","pH Dependent Formation of Unprecedented Water–Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study","Crystal Growth & Design","2014","14","2","747","","10.1021/cg401615r","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509911","19.056","0.009","9.7904","0.0015","26.613","0.007","90","","134.35","0.02","90","","3550","2","453","","453","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H24 N4 Ni2 O17 V6 -","- C24 H24 N4 Ni2 O17 V6 -","- C96 H96 N16 Ni8 O68 V24 -","4","1","","Fernández de Luis, Roberto; Orive, Joseba; Larrea, Edurne S.; Urtiaga, M. Karmele; Arriortua, María I.","Reversible Solid-State Transformation in {Ni2(H2O)2(Bpa)2}(V6O17) Proved by Synchrotron Radiation: Color and Magnetic Properties Change","Crystal Growth & Design","2014","14","2","658","","10.1021/cg401540s","powder diffraction","","0.82548","synchrotron","","13.92","","","","","","","","0.51","","","","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509912","19.6177","0.001","9.3725","0.0003","26.6897","0.0017","90","","132.445","0.008","90","","3621.3","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H28 N4 Ni2 O19 V6 -","- C24 H24 N4 Ni2 O19 V6 -","- C96 H96 N16 Ni8 O76 V24 -","4","1","","Fernández de Luis, Roberto; Orive, Joseba; Larrea, Edurne S.; Urtiaga, M. Karmele; Arriortua, María I.","Reversible Solid-State Transformation in {Ni2(H2O)2(Bpa)2}(V6O17) Proved by Synchrotron Radiation: Color and Magnetic Properties Change","Crystal Growth & Design","2014","14","2","658","","10.1021/cg401540s","","","0.71073","MoKα","","0.0979","0.0925","","","0.2241","0.2315","","","","","","1.06","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509913","12.8613","0.0015","5.3305","0.0006","29.105","0.003","90","","100.016","0.002","90","","1964.9","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C72 H68 Cl4 N16 O24 S4 -","4","1","","Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic","Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties","Crystal Growth & Design","2014","14","2","783","","10.1021/cg401662d","","","0.71073","MoKα","","0.0553","0.0374","","0.0814","0.0731","0.0814","","","","","","0.9191","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509914","4.8206","0.0003","20.6135","0.0014","19.1406","0.0012","90","","93.291","0.002","90","","1898.9","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C72 H68 Cl4 N16 O24 S4 -","4","1","","Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic","Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties","Crystal Growth & Design","2014","14","2","783","","10.1021/cg401662d","","","0.71073","MoKα","","0.0747","0.0445","","0.0908","0.0776","0.0908","","","","","","0.9293","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509915","26.823","0.005","4.7607","0.001","18.427","0.004","90","","122.37","0.03","90","","1987.4","1","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl N3 O7 S -","- C19 H18 Cl N3 O7 S -","- C76 H72 Cl4 N12 O28 S4 -","4","1","","Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic","Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties","Crystal Growth & Design","2014","14","2","783","","10.1021/cg401662d","","","0.6889","","","0.0592","0.0402","","0.1274","0.0917","0.1274","","","","","","0.9886","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509916","5.0178","0.0011","38.527","0.008","17.031","0.004","90","","94.353","0.003","90","","3282.9","1.3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl2 N6 O11 S2 -","- C30 H27.976 Cl2 N6 O11 S2 -","- C120 H111.904 Cl8 N24 O44 S8 -","4","1","","Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic","Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties","Crystal Growth & Design","2014","14","2","783","","10.1021/cg401662d","","","0.71073","MoKα","","0.1307","0.0977","","0.1369","0.1295","0.1369","","","","","","0.9181","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509917","21.712","0.003","7.7087","0.001","22.024","0.003","90","","92.748","0.002","90","","3681.9","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br2 N6 Zn -","- C16 H14 Br2 N6 Zn -","- C128 H112 Br16 N48 Zn8 -","8","2","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.0797","0.0425","","","0.0805","0.0881","","","","","","1.003","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509918","16.039","0.002","23.007","0.003","20.128","0.003","90","","96.51","0.002","90","","7379.5","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br2 N6 Zn -","- C16 H14 Br2 N6 Zn -","- C256 H224 Br32 N96 Zn16 -","16","4","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1098","0.051","","","0.0938","0.1157","","","","","","1.014","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509919","16.2395","0.001","15.7632","0.001","13.9861","0.0009","90","","102.156","0.001","90","","3500","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Fe N14 S2 -","- C34 H28 Fe N14 S2 -","- C136 H112 Fe4 N56 S8 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.0764","0.0408","","","0.0912","0.109","","","","","","1.004","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509920","17.1342","0.0007","17.7157","0.0006","17.9936","0.0007","90","","90","","90","","5461.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 Fe2 N19 O2 S4 -","- C47 Fe2 N19 O2 S4 -","- C188 Fe8 N76 O8 S16 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1198","0.077","","","0.1764","0.2035","","","","","","1.027","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509921","16.676","0.001","17.192","0.002","17.671","0.001","90","","90","","90","","5066.2","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 Fe2 N19 O2 S4 -","- C47 H41 Fe2 N19 O2 S4 -","- C188 H164 Fe8 N76 O8 S16 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1416","0.0665","","","0.1366","0.168","","","","","","1.028","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509922","16.6608","0.0003","17.6843","0.0003","17.8456","0.0004","90","","90","","90","","5257.93","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H47 Fe2 N19 O2 S4 -","- C48 H47 Fe2 N19 O2 S4 -","- C192 H188 Fe8 N76 O8 S16 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.0639","0.0524","","","0.1177","0.1264","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509923","11.8088","0.0016","12.4112","0.0018","19.618","0.003","106.581","0.002","100.09","0.002","95.371","0.002","2681.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Fe2 N19 O3.5 S4 -","- C48 H46 Fe2 N19 O3.5 S4 -","- C96 H92 Fe4 N38 O7 S8 -","2","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.2682","0.0707","","","0.1739","0.2229","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509924","14.935","0.002","15.074","0.002","21.958","0.003","86.882","0.003","77.566","0.003","73.115","0.003","4619.2","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C160 H174 N72 Ni6 O53 -","- C160 H168 N72 Ni6 O53 -","- C160 H168 N72 Ni6 O53 -","1","0.5","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1093","0.0756","","","0.1717","0.1937","","","","","","1.028","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509925","10.2164","0.0008","6.07487","0.00012","25.9781","0.0017","90","","102.821","0.016","90","","1572.09","0.19","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Portell, Anna; Prohens, Rafel","Single-Stranded Molecular Helical Assembly from a Self-Complementary Squaramide Compound","Crystal Growth & Design","2014","14","2","397","","10.1021/cg401639g","powder diffraction","","1.5418","CuKα","","","","","","","","","7.018","2.41","","","","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509926","12.959","0.005","13.832","0.005","14.44","0.005","69.617","0.005","66.648","0.005","79.195","0.005","2223.9","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H108 O18 Ru6 Sn6 -","- C90 H108 O18 Ru6 Sn6 -","- C90 H108 O18 Ru6 Sn6 -","1","0.5","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0485","0.0393","","","0.0936","0.1009","","","","","","1.052","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509927","22.117","","22.117","","24.215","0.005","90","","90","","120","","10258","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C144 H132 O18 Ru6 Sn6 -","- C144 H132 O18 Ru6 Sn6 -","- C432 H396 O54 Ru18 Sn18 -","3","0.166667","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0435","0.035","","","0.0813","0.0859","","","","","","1.077","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509928","15.068","0.005","15.086","0.005","15.68","0.005","69.769","0.005","68.998","0.005","71.416","0.005","3044.1","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H96 O18 Ru6 Sn6 -","- C108 H96 O18 Ru6 Sn6 -","- C108 H96 O18 Ru6 Sn6 -","1","0.5","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0645","0.0558","","","0.1613","0.1785","","","","","","1.1","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509929","12.481","0.005","13.445","0.005","13.744","0.005","61.104","0.005","72.618","0.005","84.29","0.005","1924.2","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H108 O10 Ru4 Sn4 -","- C76 H108 O10 Ru4 Sn4 -","- C76 H108 O10 Ru4 Sn4 -","1","0.5","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0534","0.0417","","","0.0983","0.1069","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509930","21.612","0.005","9.698","0.005","26.478","0.005","90","","90","","90","","5550","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H36 O4 Ru2 Sn -","- C30 H36 O4 Ru2 Sn -","- C240 H288 O32 Ru16 Sn8 -","8","1","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0626","0.0451","","","0.0995","0.1099","","","","","","1.074","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509931","8.261","0.003","23.95","0.008","10.847","0.003","90","","111.639","0.005","90","","1994.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 O6 Ru2 Sn2 -","- C38 H56 O6 Ru2 Sn2 -","- C76 H112 O12 Ru4 Sn4 -","2","0.5","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71073","MoKα","","0.0384","0.0335","","","0.0828","0.0867","","","","","","1.048","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509932","11.8037","0.0006","20.4941","0.0011","13.6817","0.0007","90","","96.031","0.003","90","","3291.4","0.3","296","2","296","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","","Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop","Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","2","699","","10.1021/cg401583v","","","0.71073","MoKα","","0.1114","0.0669","","","0.1606","0.1722","","","","","","0.854","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509933","11.608","0.003","15.781","0.004","14.682","0.004","90","","90.824","0.018","90","","2689.3","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","1","","Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop","Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","2","699","","10.1021/cg401583v","","","0.71073","MoKα","","0.1544","0.0684","","","0.1682","0.1901","","","","","","0.879","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509934","7.8005","0.0002","11.2947","0.0003","13.1552","0.0004","82.719","0.002","80.499","0.002","83.194","0.002","1128.26","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N7 O4 Zn -","- C23 H19 N7 O4 Zn -","- C46 H38 N14 O8 Zn2 -","2","1","","Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop","Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","2","699","","10.1021/cg401583v","","","0.71073","MoKα","","0.0859","0.0579","","","0.1298","0.1495","","","","","","1.065","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509935","9.9488","0.0008","23.117","0.002","11.8918","0.0011","90","","90.287","0.001","90","","2734.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Cu2 N16 O11 -","- C56 H42 Cu2 N16 O11 -","- C112 H84 Cu4 N32 O22 -","2","0.5","","Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua","Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting","Crystal Growth & Design","2014","14","2","649","","10.1021/cg401529u","","","0.71073","MoKα","","0.133","0.068","","","0.17","0.2105","","","","","","1.029","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509936","8.947","0.0009","24.276","0.002","12.532","0.0011","90","","90.125","0.001","90","","2721.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Co2 N16 O11 -","- C56 H42 Co2 N16 O11 -","- C112 H84 Co4 N32 O22 -","2","0.5","","Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua","Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting","Crystal Growth & Design","2014","14","2","649","","10.1021/cg401529u","","","0.71073","MoKα","","0.0845","0.053","","","0.1298","0.1501","","","","","","1.025","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509937","8.9676","0.0008","24.598","0.002","12.6341","0.0011","90","","90.114","0.001","90","","2786.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 N16 O11 Zn2 -","- C56 H42 N16 O11 Zn2 -","- C112 H84 N32 O22 Zn4 -","2","0.5","","Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua","Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting","Crystal Growth & Design","2014","14","2","649","","10.1021/cg401529u","","","0.71073","MoKα","","0.1113","0.0711","","","0.1805","0.198","","","","","","1.037","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509938","7.1646","0.0004","11.6664","0.0006","16.2037","0.0008","109.485","0.001","96.911","0.002","99.708","0.002","1235.61","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N2 Ni2 O20 -","- C14 H30 N2 Ni2 O20 -","- C28 H60 N4 Ni4 O40 -","2","1","","Hundal, Geeta; Hundal, Maninder Singh; Hwang, Young Kyu; Chang, Jong San","Supramolecular Interactions between Finite Tapes of Water Molecules and Hydrated Metal Ions To Produce Infinite Two-Dimensional Cationic Layers of Water Molecules","Crystal Growth & Design","2014","14","1","172","","10.1021/cg401358p","","","0.71073","MoKα","","0.0627","0.0582","","","0.1907","0.1937","","","","","","1.021","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509939","40.334","0.005","7.7289","0.0009","15.6202","0.0018","90","","90.602","0.003","90","","4869.1","1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H40 O5 -","- C24 O5 -","- C192 O40 -","8","2","","Wang, Xudong; Li, Chenxi; Duan, Yueqin; Lu, Yan","Hydrophobic Tetramer Structures of Cholic Acid","Crystal Growth & Design","2014","14","1","23","","10.1021/cg401651t","","","0.8856","","","0.382","0.3699","","","0.7092","0.7275","","","","","","3.241","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509940","6.4938","0.0007","9.2279","0.0009","9.9675","0.001","64.0531","0.001","85.7704","0.0013","73.6886","0.0013","514.63","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br4 N2 O6 -","- C18 H14 Br4 N2 O6 -","- C18 H14 Br4 N2 O6 -","1","0.5","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","powder diffraction","x-ray","1.54184","","","","","","","","","0.15799","","4.8","","","","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509941","9.2517","0.0003","7.0646","0.0002","18.7083","0.0007","90","","101.565","0.002","90","","1197.94","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br4 N4 O6 -","- C18 H18 Br4 N4 O6 -","- C36 H36 Br8 N8 O12 -","2","0.5","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","","","0.71073","MoKα","","0.136","0.055","","","0.1419","0.1712","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509942","8.0299","0.0009","10.3117","0.0011","7.0948","0.0008","90","","99.5592","0.0011","90","","579.31","0.11","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H2 Br4 O4 -","- C8 H2 Br4 O4 -","- C16 H4 Br8 O8 -","2","0.25","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","powder diffraction","x-ray","1.54184","","","","","","","","","0.03379","","2.16","","","","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509943","5.8277","0.0006","14.727","0.002","16.5226","0.0019","90","","97.177","0.005","90","","1406.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Br4 O6 -","- C8 H6 Br4 O6 -","- C32 H24 Br16 O24 -","4","1","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","","","0.71073","MoKα","","0.1878","0.0772","","","0.1562","0.1835","","","","","","0.81","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509944","8.4983","0.0005","8.7073","0.0004","9.9547","0.0005","92.062","0.002","112.55","0.003","114.459","0.002","602.4","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Br4 N6 O6 -","- C20 H14 Br4 N6 O6 -","- C20 H14 Br4 N6 O6 -","1","0.5","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","","","0.71073","MoKα","","0.0603","0.0384","","","0.094","0.1046","","","","","","1.01","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509945","6.8225","0.0005","8.9985","0.0006","10.1541","0.0007","96.117","0.004","90.172","0.004","106.548","0.004","593.8","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 Br4 I2 N2 O4 -","- C18 H10 Br4 I2 N2 O4 -","- C18 H10 Br4 I2 N2 O4 -","1","0.5","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","","","0.71073","MoKα","","0.25","0.069","","","0.1319","0.1804","","","","","","0.921","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509946","9.793","0.0005","14.477","0.0007","7.6369","0.0004","90","","106.032","0.003","90","","1040.6","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cu N5 O5 -","- C8 H9 Cu N5 O5 -","- C32 H36 Cu4 N20 O20 -","4","1","","El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J.","Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate","Crystal Growth & Design","2014","14","1","249","","10.1021/cg401455c","","","0.71073","MoKα","","0.0313","0.0252","","","0.0581","0.0599","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509947","7.0521","0.0003","10.505","0.0003","16.0669","0.0006","90","","90.121","0.002","90","","1190.27","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N10 O12 Zn2 -","- C16 H22 N10 O12 Zn2 -","- C32 H44 N20 O24 Zn4 -","2","0.5","","El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J.","Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate","Crystal Growth & Design","2014","14","1","249","","10.1021/cg401455c","","","0.71073","MoKα","","0.0276","0.0224","","","0.0511","0.0525","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509948","14.2033","0.0008","14.7848","0.0008","7.0659","0.0003","90","","102.643","0.002","90","","1447.81","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Co2 N10 O18 -","- C16 H34 Co2 N10 O18 -","- C32 H68 Co4 N20 O36 -","2","0.5","","El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J.","Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate","Crystal Growth & Design","2014","14","1","249","","10.1021/cg401455c","","","0.71073","MoKα","","0.0533","0.0347","","","0.0807","0.0875","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509949","3.88551","0.0001","3.88551","0.0001","7.3489","0.0003","90","","90","","90","","110.948","0.006","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","BiOCl","","","- Bi Cl O -","- Bi Cl O -","- Bi2 Cl2 O2 -","2","0.125","","Biswas, Anupam; Das, Raja; Dey, Chandan; Banerjee, Rahul; Poddar, Pankaj","Ligand-Free One-Step Synthesis of {001} Faceted Semiconducting BiOCl Single Crystals and Their Photocatalytic Activity","Crystal Growth & Design","2014","14","1","236","","10.1021/cg4014366","","","0.71073","MoKα","","0.0624","0.0624","","","0.1598","0.1598","","","","","","1.269","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509950","3.8641","0.0009","26.562","0.006","14.773","0.003","90","","95.929","0.003","90","","1508.2","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","orthodibromodibenzphenazine","11,12-dibromo-dibenz[a,c]phenazine","","- C20 H10 Br2 N2 -","- C20 H10 Br2 N2 -","- C80 H40 Br8 N8 -","4","0.5","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π–π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0208","0.019","","","0.052","0.053","","","","","","1.107","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509951","16.966","0.004","38.644","0.01","6.9694","0.0018","90","","90","","90","","4569","2","100","2","100","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","11,12-bisC3F7dibenzphenazine","11,12-bis(perfluoropropyl)-dibenz[a,c]phenazine","","- C26 H10 F14 N2 -","- C26 H10 F14 N2 -","- C208 H80 F112 N16 -","8","0.5","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π–π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0338","0.0254","","","0.0682","0.0766","","","","","","1.109","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509952","7.3069","0.0011","17.986","0.003","39.263","0.006","90","","90","","90","","5160","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","11,12-bisC4F9dibenzphenazine","11,12-bis(perfluorobutyl)-dibenz[a,c]phenazine","","- C28 H10 F18 N2 -","- C28 H10 F18 N2 -","- C224 H80 F144 N16 -","8","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π–π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0602","0.0536","","","0.1391","0.1487","","","","","","1.065","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509953","7.5302","0.0008","18.595","0.002","45.45","0.005","90","","90","","90","","6364.1","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","11,12-bisC6F13dibenzphenazine","11,12-bis(perfluorohexyl)-dibenz[a,c]phenazine","","- C32 H10 F26 N2 -","- C32 H10 F26 N2 -","- C256 H80 F208 N16 -","8","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π–π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0378","0.0322","","","0.0771","0.0803","","","","","","1.149","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509954","5.1175","0.0007","13.0267","0.0017","29.29","0.004","90","","90","","90","","1952.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MonoC4F9dibenzphenazine","11-perfluorobutyl-dibenz[a,c]phenazine","","- C24 H11 F9 N2 -","- C24 H11 F9 N2 -","- C96 H44 F36 N8 -","4","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π–π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0239","0.0213","","","0.0536","0.0551","","","","","","1.13","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509955","6.7136","0.0006","9.5424","0.0009","19.8914","0.0018","81.818","0.001","85.346","0.001","82.085","0.001","1246.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9,10-bisC4F9dithiophenephenazine","9,10-bis(perfluorobutyl)-dithieno[2,3-a: 3',2'-c]phenazine","","- C24 H6 F18 N2 S2 -","- C24 H6 F18 N2 S2 -","- C48 H12 F36 N4 S4 -","2","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π–π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0577","0.0445","","","0.0995","0.108","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509956","15.9995","0.0005","18.1852","0.0007","24.8199","0.0007","90","","102.917","0.003","90","","7038.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Manganese sulfonyldibenzoates","","","- C48 H30 Mn3 N2 O23 S3 -","- C48 H30 Mn3 N2 O23 S3 -","- C192 H120 Mn12 N8 O92 S12 -","4","1","","Bhattacharya, Saurav; Gnanavel, M.; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","Organization of Mn-Clusters inpcuandbcuNetworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2014","14","1","310","","10.1021/cg401587r","","","0.71073","MoKα","","0.0883","0.0647","","","0.1823","0.1996","","","","","","1.053","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509957","18.0352","0.001","25.8676","0.0013","18.0584","0.0009","90","","118.861","0.003","90","","7378.3","0.7","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Manganese sulfonyldibenzoates","","","- C84 H48 Mn7 O48 S6 -","- C84 H48 Mn7 O48 S6 -","- C168 H96 Mn14 O96 S12 -","2","0.5","","Bhattacharya, Saurav; Gnanavel, M.; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","Organization of Mn-Clusters inpcuandbcuNetworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2014","14","1","310","","10.1021/cg401587r","","","0.71073","MoKα","","0.1391","0.0696","","","0.182","0.204","","","","","","0.838","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509958","10.3769","0.0002","8.8497","0.0002","13.5431","0.0003","90","","96.8897","0.0008","90","","1234.72","0.05","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0505","0.0399","","","0.0964","0.1019","","","","","","1.071","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509959","11.1175","0.0002","11.5416","0.0002","12.2025","0.0002","105.767","0.0007","102.716","0.0007","98.4533","0.0008","1433.77","0.04","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0602","0.0421","","","0.101","0.1108","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509960","9.6119","0.0002","11.0473","0.0002","14.6432","0.0003","74.6603","0.0008","72.0162","0.0008","64.8393","0.0009","1322.47","0.05","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0528","0.0402","","","0.1007","0.108","","","","","","1.039","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509961","10.992","0.0001","11.1848","0.0002","13.2362","0.0002","107.41","0.0006","94.424","0.0006","115.715","0.0007","1357.82","0.04","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0777","0.0464","","","0.1137","0.1304","","","","","","1.052","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509962","9.283","0.001","14.248","0.002","37.628","0.004","90","","90","","90","","4976.8","1","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C224 H224 N32 O32 -","16","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0778","0.0423","","","0.1062","0.1262","","","","","","1.034","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509963","12.3442","0.0004","18.1532","0.0007","18.2571","0.0007","90","","92.994","0.003","90","","4085.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 N4 O9 Zn2 -","- C48 H34 N4 O9 Zn2 -","- C192 H136 N16 O36 Zn8 -","4","1","","Dai, Ming; Su, Xin-Ran; Wang, Xiao; Wu, Bing; Ren, Zhi-Gang; Zhou, Xuan; Lang, Jian-Ping","Three Zinc(II) Coordination Polymers Based on Tetrakis(4-pyridyl)cyclobutane and Naphthalenedicarboxylate Linkers: Solvothermal Syntheses, Structures, and Photocatalytic Properties","Crystal Growth & Design","2014","14","1","240","","10.1021/cg4014416","","","0.71073","MoKα","","0.0821","0.0567","","","0.1286","0.1396","","","","","","1.036","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509964","18.615","0.003","18.615","0.003","29.464","0.006","90","","90","","120","","8842","3","298","2","298","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C288 H192 N24 O48 Zn12 -","12","1","","Dai, Ming; Su, Xin-Ran; Wang, Xiao; Wu, Bing; Ren, Zhi-Gang; Zhou, Xuan; Lang, Jian-Ping","Three Zinc(II) Coordination Polymers Based on Tetrakis(4-pyridyl)cyclobutane and Naphthalenedicarboxylate Linkers: Solvothermal Syntheses, Structures, and Photocatalytic Properties","Crystal Growth & Design","2014","14","1","240","","10.1021/cg4014416","","","1.54178","CuKα","","0.0494","0.0437","","","0.1267","0.1363","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509965","16.0577","0.0018","15.9369","0.0015","16.9495","0.0015","90","","109.367","0.011","90","","4092.1","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 N4 O9 Zn2 -","- C48 H34 N4 O9 Zn2 -","- C192 H136 N16 O36 Zn8 -","4","1","","Dai, Ming; Su, Xin-Ran; Wang, Xiao; Wu, Bing; Ren, Zhi-Gang; Zhou, Xuan; Lang, Jian-Ping","Three Zinc(II) Coordination Polymers Based on Tetrakis(4-pyridyl)cyclobutane and Naphthalenedicarboxylate Linkers: Solvothermal Syntheses, Structures, and Photocatalytic Properties","Crystal Growth & Design","2014","14","1","240","","10.1021/cg4014416","","","0.71073","MoKα","","0.1492","0.0693","","","0.1166","0.1378","","","","","","0.984","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509966","28.575","0.003","5.6644","0.0007","13.5525","0.0016","90","","93.238","0.002","90","","2190.1","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H24 Cl N O4 S -","- C24 H24 Cl N O4 S -","- C96 H96 Cl4 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.0413","0.0397","","","0.0945","0.0954","","","","","","1.141","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509967","29.15","0.003","5.7776","0.0007","13.7903","0.0016","90","","91.043","0.002","90","","2322.1","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H26 Cl N O4 S -","- C25 H26 Cl N O4 S -","- C100 H104 Cl4 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.0714","0.062","","","0.1576","0.1657","","","","","","1.056","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509968","13.662","0.005","5.636","0.0018","31.744","0.011","90","","101.091","0.005","90","","2398.6","1.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 Cl N O4 S -","- C26 H28 Cl N O4 S -","- C104 H112 Cl4 N4 O16 S4 -","4","2","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.0945","0.0758","","","0.2216","0.2413","","","","","","1.103","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509969","13.626","0.003","5.771","0.0012","17.465","0.004","90","","109.134","0.004","90","","1297.5","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H30 Cl N O4 S -","- C27 H30 Cl N O4 S -","- C54 H60 Cl2 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.1325","0.0797","","","0.1909","0.2237","","","","","","1.036","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509970","9.191","0.0009","19.0375","0.0018","20.248","0.002","90","","97.709","0.002","90","","3510.8","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H132 N4 O8 -","- C64 H106 N4 O8 -","- C128 H212 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1073","0.0889","","","0.2646","0.2949","","","","","","1.213","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509971","9.1784","0.0014","19.071","0.003","22.284","0.003","90","","93.151","0.004","90","","3894.7","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H148 N4 O8 -","- C72 H120 N4 O8 -","- C144 H240 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1542","0.1026","","","0.2766","0.3316","","","","","","1.034","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509972","9.292","0.0019","18.94","0.004","22.831","0.005","90","","90.94","0.03","90","","4017.5","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H132 N4 O8 -","- C76 H132 N4 O8 -","- C152 H264 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1453","0.0983","","","0.2727","0.3475","","","","","","1.047","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509973","9.172","0.0018","18.993","0.004","24.386","0.005","90","","90.19","0.03","90","","4248.1","1.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C80 H164 N4 O8 -","- C80 H130 N4 O8 -","- C160 H260 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1664","0.1176","","","0.2758","0.3353","","","","","","1.879","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509974","9.2946","0.0011","10.8638","0.0012","10.7403","0.0012","90","","113.337","0.001","90","","995.8","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 S -","- C10 H8 N4 S -","- C40 H32 N16 S4 -","4","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0653","0.0376","","","0.0657","0.0732","","","","","","0.909","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509975","12.9222","0.0013","10.3009","0.0013","22.021","0.003","90","","104.94","0.003","90","","2832.1","0.6","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag F3 N4 O2 S -","- C12 H8 Ag F3 N4 O2 S -","- C96 H64 Ag8 F24 N32 O16 S8 -","8","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.044","0.0367","","","0.0888","0.0927","","","","","","1.074","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509976","26.457","0.012","8.367","0.004","15.214","0.009","90","","119.368","0.004","90","","2935","3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag F3 N4 O2 S -","- C12 H8 Ag F3 N4 O2 S -","- C96 H64 Ag8 F24 N32 O16 S8 -","8","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0684","0.0555","","","0.1689","0.1788","","","","","","1.074","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509977","13.254","0.002","7.3495","0.0013","13.555","0.002","90","","110.68","0.003","90","","1235.3","0.3","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H16 Ag2 N10 O6 S2 -","- C20 H16 Ag2 N10 O6 S2 -","- C40 H32 Ag4 N20 O12 S4 -","2","0.5","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0689","0.0601","","","0.1664","0.1729","","","","","","1.142","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509978","9.4803","0.0014","9.4473","0.0014","15.163","0.002","90","","94.868","0.002","90","","1353.1","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ag N5 O4 S -","- C10 H10 Ag N5 O4 S -","- C40 H40 Ag4 N20 O16 S4 -","4","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0592","0.0366","","","0.0709","0.0803","","","","","","0.956","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509979","9.5081","0.0006","13.1649","0.0009","13.5056","0.001","90","","127.054","0.001","90","","1349.16","0.16","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag Cl N4 O4 S -","- C10 H8 Ag Cl N4 O4 S -","- C40 H32 Ag4 Cl4 N16 O16 S4 -","4","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0392","0.0355","","","0.1077","0.1106","","","","","","1.063","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509980","9.3474","0.0011","10.4189","0.0012","14.0975","0.0016","90","","97.117","0.002","90","","1362.4","0.3","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Ag Cl N4 O4 S -","- C10 H8 Ag Cl N4 O4 S -","- C40 H32 Ag4 Cl4 N16 O16 S4 -","4","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0671","0.0411","","","0.0965","0.1268","","","","","","0.952","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509981","13.123","0.001","20.4789","0.0016","13.487","0.001","90","","90","","90","","3624.6","0.5","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Ag F6 N5 P S -","- C12 H11 Ag F6 N5 P S -","- C96 H88 Ag8 F48 N40 P8 S8 -","8","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0601","0.049","","","0.1551","0.1615","","","","","","1.118","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509982","6.434","0.004","15.763","0.002","8.963","0.004","90","","100.968","0.018","90","","892.4","0.7","291","2","291","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C12 H11 Ag F6 N5 P S -","- C12 H11 Ag F6 N5 P S -","- C24 H22 Ag2 F12 N10 P2 S2 -","2","0.5","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0653","0.0516","","","0.1427","0.1537","","","","","","1.058","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509983","7.2162","0.0003","16.0626","0.0006","26.1991","0.001","90","","91.975","0.001","90","","3035","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Co N6 O11 -","- C31 H26 Co N6 O11 -","- C124 H104 Co4 N24 O44 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0475","0.0411","","","0.1143","0.1187","","","","","","1.045","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509984","7.245","0.0004","16.1456","0.0008","26.6414","0.0013","90","","91.899","0.001","90","","3114.7","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cd N6 O11 -","- C31 H26 Cd N6 O11 -","- C124 H104 Cd4 N24 O44 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0491","0.0414","","","0.1099","0.1155","","","","","","1.008","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509985","15.8744","0.0012","12.6089","0.0009","27.9469","0.0019","90","","94.076","0.001","90","","5579.7","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H44 Co2 N12 O20 -","- C62 H44 Co2 N12 O20 -","- C248 H176 Co8 N48 O80 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0914","0.0516","","","0.112","0.1302","","","","","","1.013","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509986","15.9719","0.0013","12.927","0.001","27.989","0.002","90","","94.883","0.001","90","","5757.9","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H44 Cd2 N12 O20 -","- C62 H43 Cd2 N12 O20 -","- C248 H172 Cd8 N48 O80 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0762","0.0594","","","0.1334","0.1424","","","","","","1.062","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509987","7.3615","0.0005","11.515","0.0008","17.673","0.0012","94.342","0.001","101.267","0.001","97.944","0.001","1446.97","0.17","106","2","106","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 Co2 N6 O10 -","- C31 H20 Co2 N6 O10 -","- C62 H40 Co4 N12 O20 -","2","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0517","0.0405","","","0.0985","0.1051","","","","","","1.032","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509988","18.296","0.002","9.8044","0.0011","13.0202","0.0015","90","","90","","90","","2335.6","0.5","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H18 Co N6 O6 S -","- C21 H18 Co N6 O6 S -","- C84 H72 Co4 N24 O24 S4 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0582","0.0422","","","0.0976","0.1061","","","","","","0.992","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509989","10.732","0.0011","20.421","0.002","22.125","0.002","90","","90","","90","","4848.9","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Cd N6 O7 S -","- C21 H20 Cd N6 O7 S -","- C168 H160 Cd8 N48 O56 S8 -","8","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.074","0.045","","","0.1107","0.1253","","","","","","1.023","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509990","14.4328","0.0008","14.4328","0.0008","11.3654","0.0013","90","","90","","120","","2050.3","0.3","296","2","296","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C6 H24 N6 Ni S9 Sb4 Sn -","- C6 H24 N6 Ni S9 Sb4 Sn -","- C18 H72 N18 Ni3 S27 Sb12 Sn3 -","3","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong","[TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers","Crystal Growth & Design","2014","14","1","101","","10.1021/cg401208p","","","0.71073","MoKα","","0.024","0.0206","","","0.0409","0.0419","","","","","","1.029","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509991","14.4431","0.001","14.4431","0.001","11.379","0.0017","90","","90","","120","","2055.7","0.4","296","2","296","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C6 H24 Co N6 S9 Sb4 Sn -","- C6 H24 Co N6 S9 Sb4 Sn -","- C18 H72 Co3 N18 S27 Sb12 Sn3 -","3","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong","[TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers","Crystal Growth & Design","2014","14","1","101","","10.1021/cg401208p","","","0.71073","MoKα","","0.0265","0.0212","","","0.0353","0.0367","","","","","","1.033","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509992","11.6991","0.0007","11.1853","0.0007","32.2459","0.0019","90","","95.566","0.001","90","","4199.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 Mn2 N12 S9 Sb4 -","- C16 H52 Mn2 N12 S9 Sb4 -","- C64 H208 Mn8 N48 S36 Sb16 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong","[TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers","Crystal Growth & Design","2014","14","1","101","","10.1021/cg401208p","","","0.71073","MoKα","","0.0696","0.0408","","","0.0725","0.0795","","","","","","1.067","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509993","11.094","0.008","11.531","0.008","11.635","0.008","87.702","0.01","63.717","0.008","79.934","0.009","1312.8","1.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 Ag F3 N3 O5 S2 -","- C25 H21 Ag F3 N3 O5 S2 -","- C50 H42 Ag2 F6 N6 O10 S4 -","2","1","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.1327","0.0857","","","0.2112","0.2429","","","","","","1.003","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509994","34.543","0.009","8.324","0.002","15.572","0.004","90","","92.096","0.004","90","","4475","2","120","","120","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Ag B F4 N6 O4 S2 -","- C48 H42 Ag B F4 N6 O4 S2 -","- C192 H168 Ag4 B4 F16 N24 O16 S8 -","4","0.5","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.1074","0.0535","","","0.0961","0.1151","","","","","","1.007","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509995","20.743","0.003","5.7353","0.0007","18.342","0.002","90","","112.779","0.001","90","","2011.9","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 S -","- C24 H21 N3 O2 S -","- C96 H84 N12 O8 S4 -","4","1","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.0691","0.0448","","","0.0959","0.1068","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509996","18.845","0.003","18.777","0.003","12.6102","0.0019","90","","115.589","0.002","90","","4024.5","1.1","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N3 O2 S -","- C24 H21 N3 O2 S -","- C192 H168 N24 O16 S8 -","8","1","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.0746","0.0465","","","0.1071","0.1211","","","","","","1.059","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509997","12.277","0.004","22.291","0.007","45.968","0.014","90","","90","","90","","12580","7","120","","120","","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C49 H42 Ag1.5 F6 N6 O6 S2 Sb -","- C50 H42 Ag1.5 F6 N6 O7 S2 Sb -","- C400 H336 Ag12 F48 N48 O56 S16 Sb8 -","8","0.5","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.2095","0.1041","","","0.2893","0.3294","","","","","","0.868","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509998","21.37","0.004","19.497","0.004","7.47","0.0014","90","","91.055","0.003","90","","3111.9","1","150","","150","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Ag B Cl3 F4 N4 O2 S -","- C27 H25 Ag B Cl3 F4 N4 O2 S -","- C108 H100 Ag4 B4 Cl12 F16 N16 O8 S4 -","4","1","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.1609","0.0931","","","0.2614","0.3469","","","","","","1.199","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509999","10.225","0.002","10.197","0.002","23.917","0.005","90","","99.794","0.002","90","","2457.3","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O8 P2 U -","- C20 H26 N2 O8 P2 U -","- C80 H104 N8 O32 P8 U4 -","4","1","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0339","0.0265","","","0.0571","0.0598","","","","","","1.035","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4510000","10.6043","0.0007","16.4306","0.0011","21.8094","0.0014","90","","90.493","0.001","90","","3799.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cl2 N4 O10 P2 U2 -","- C28 H16 Cl2 N4 O10 P2 U2 -","- C112 H64 Cl8 N16 O40 P8 U8 -","4","1","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0291","0.0246","","","0.0587","0.061","","","","","","1.073","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510001","9.8611","0.0007","10.0415","0.0007","10.7103","0.0007","71.712","0.001","65.666","0.001","68.082","0.001","880.27","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H22 N2 O8 P2 U -","- C11 H22 N2 O8 P2 U -","- C22 H44 N4 O16 P4 U2 -","2","1","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0229","0.0199","","","0.0433","0.0444","","","","","","1.015","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510002","8.8825","0.0005","11.7704","0.0007","12.1185","0.0007","118.082","0.001","90.882","0.001","91.923","0.001","1116.51","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 N2 O12 P3 U -","- C15 H20 N2 O12 P3 U -","- C30 H40 N4 O24 P6 U2 -","2","1","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0213","0.0185","","","0.0462","0.0549","","","","","","1.232","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510003","9.4611","0.0018","13.424","0.003","13.453","0.003","67.36","0.003","70.649","0.004","88.418","0.004","1478","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H58 N4 O34 P8 U5 -","- C28 H58 N4 O34 P8 U5 -","- C28 H58 N4 O34 P8 U5 -","1","0.5","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0243","0.0198","","","0.0452","0.0465","","","","","","1.073","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510004","10.7378","0.0006","10.9492","0.0006","6.4879","0.0003","100.481","0.006","93.069","0.006","89.954","0.002","748.95","0.07","20","","20","","","","","","","","","5","P -1","-P 1","2","tetrathiafulvalene chloranil","","","- C12 H4 Cl4 O2 S4 -","- C12 H4 Cl4 O2 S4 -","- C24 H8 Cl8 O4 S8 -","2","1","","Lapidus, Saul H.; Naik, Amit; Wixtrom, Alex; Massa, Nestor E.; Ta Phuoc, Vinh; del Campo, Leire; Lebègue, Sébastien; Ángyán, János G.; Abdel-Fattah, Tarek; Pagola, Silvina","The Black Polymorph of TTF-CA: TTF Polymorphism and Solvent Effects in Mechanochemical and Vapor Digestion Syntheses, FT-IR, Crystal Packing, and Electronic Structure","Crystal Growth & Design","2014","14","1","91","","10.1021/cg401203r","powder diffraction","x-ray","0.699931","","","","","","","","","","0.0649","1.16","","","","","","","has coordinates","301843","2025-08-21","01:58:34",""
"4510005","10.7692","0.0003","11.0465","0.0003","6.6085","0.0001","101.356","0.003","93.669","0.002","89.295","0.001","769.19","0.03","298","","298","","","","","","","","","5","P -1","-P 1","2","tetrathiafulvalene chloranil","","","- C12 H4 Cl4 O2 S4 -","- C12 H4 Cl4 O2 S4 -","- C24 H8 Cl8 O4 S8 -","2","1","","Lapidus, Saul H.; Naik, Amit; Wixtrom, Alex; Massa, Nestor E.; Ta Phuoc, Vinh; del Campo, Leire; Lebègue, Sébastien; Ángyán, János G.; Abdel-Fattah, Tarek; Pagola, Silvina","The Black Polymorph of TTF-CA: TTF Polymorphism and Solvent Effects in Mechanochemical and Vapor Digestion Syntheses, FT-IR, Crystal Packing, and Electronic Structure","Crystal Growth & Design","2014","14","1","91","","10.1021/cg401203r","powder diffraction","x-ray","0.699931","","","","","","","","","","0.0295","1.34","","","","","","","has coordinates","301843","2025-08-21","01:58:34",""
"4510006","21.312","0.01","21.312","0.01","16.548","0.003","90","","90","","90","","7516","5","113","2","113","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C48 H41 Cl5 M N27 O4 -","- C48 H32 Cl5 Mn6 N24 O4 -","- C192 H128 Cl20 Mn24 N96 O16 -","4","0.25","","Han, Song-De; Zhao, Jiong-Peng; Chen, Yong-Qiang; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","A Spin-Canted Polynuclear Manganese Complex Comprised of Alternating Linkage of Cyclic Tetra-and Mononuclear Fragments","Crystal Growth & Design","2014","14","1","2","","10.1021/cg401335n","","","0.71073","MoKα","","0.0945","0.0843","","","0.2123","0.2198","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510007","10.2899","0.0003","12.2282","0.0004","10.1888","0.0007","90","","91.531","0.004","90","","1281.57","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Gd N O9 -","- C9 H8 Gd N O9 -","- C36 H32 Gd4 N4 O36 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0349","0.0303","","","0.0785","0.0825","","","","","","0.99","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510008","14.1072","0.001","11.1298","0.0008","15.0715","0.0012","90","","92.04","0.007","90","","2364.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 N3 O14 Tb2 -","- C21 H13 N3 O14 Tb2 -","- C84 H52 N12 O56 Tb8 -","4","0.5","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0573","0.0509","","","0.1233","0.1283","","","","","","1.075","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510009","7.6082","0.0003","17.0721","0.0004","8.2971","0.0003","90","","104.215","0.004","90","","1044.7","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Er N O7 -","- C9 H6 Er N O7 -","- C36 H24 Er4 N4 O28 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0449","0.0407","","","0.1002","0.1043","","","","","","1.036","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510010","7.6299","0.0003","17.0477","0.0007","8.3505","0.0003","90","","104.34","0.005","90","","1052.33","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Dy N O7 -","- C9 H6 Dy N O7 -","- C36 H24 Dy4 N4 O28 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0332","0.0282","","","0.0674","0.0708","","","","","","0.992","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510011","7.6349","0.0003","17.1484","0.0005","8.4454","0.0003","90","","104.922","0.004","90","","1068.44","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Gd N O7 -","- C9 H6 Gd N O7 -","- C36 H24 Gd4 N4 O28 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0331","0.0259","","","0.0597","0.0638","","","","","","0.963","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510012","15.8757","0.001","9.0998","0.0005","18.7296","0.0012","90","","111.039","0.007","90","","2525.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 N O8 Sm -","- C9 H8 N O8 Sm -","- C72 H64 N8 O64 Sm8 -","8","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0444","0.0356","","","0.0923","0.0981","","","","","","1.047","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510013","7.6339","0.0005","17.072","0.0009","8.3853","0.0004","90","","104.517","0.006","90","","1057.93","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N O7 Tb -","- C9 H6 N O7 Tb -","- C36 H24 N4 O28 Tb4 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0332","0.0289","","","0.0696","0.0714","","","","","","1.023","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510014","15.89","0.002","9.0934","0.0014","18.737","0.003","90","","111.075","0.002","90","","2526.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Eu N O8 -","- C9 H8 Eu N O8 -","- C72 H64 Eu8 N8 O64 -","8","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0508","0.0485","","","0.1987","0.1997","","","","","","1.065","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510015","15.9586","0.0007","9.0571","0.0004","18.904","0.0012","90","","111.473","0.006","90","","2542.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 Cu0 Gd N O8 -","- C9 H8 Gd N O8 -","- C72 H64 Gd8 N8 O64 -","8","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0292","0.0268","","","0.077","0.0786","","","","","","1.059","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510016","8.0541","0.0008","8.3073","0.0008","14.7666","0.0013","85.767","0.007","87.441","0.008","66.606","0.009","904.18","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N6 O8 S -","- C13 H20 N6 O8 S -","- C26 H40 N12 O16 S2 -","2","1","","Hoque, Md. Najbul; Basu, Arghya; Das, Gopal","Pyridine–Urea-Based Anion Receptor: Formation of Cyclic Sulfate–Water Hexamer and Dihydrogen Phosphate–Water Trimer in Hydrophobic Environment","Crystal Growth & Design","2014","14","1","6","","10.1021/cg4015724","","","0.71073","MoKα","","0.0706","0.0482","","","0.1108","0.129","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:34",""
"4510017","9.009","0.002","14.1152","0.0017","15.276","0.004","116.185","0.017","97.676","0.019","93.033","0.014","1713.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N6 O6.5 P -","- C13 H18 N6 O6.5 P -","- C52 H72 N24 O26 P4 -","4","2","","Hoque, Md. Najbul; Basu, Arghya; Das, Gopal","Pyridine–Urea-Based Anion Receptor: Formation of Cyclic Sulfate–Water Hexamer and Dihydrogen Phosphate–Water Trimer in Hydrophobic Environment","Crystal Growth & Design","2014","14","1","6","","10.1021/cg4015724","","","0.71073","MoKα","","0.1316","0.0825","","","0.247","0.3407","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510018","7.5545","0.0004","8.7273","0.0004","16.7176","0.0009","79.566","0.003","80.063","0.003","70.872","0.003","1016.49","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl2 N6 O11 -","- C13 H18 Cl2 N6 O11 -","- C26 H36 Cl4 N12 O22 -","2","1","","Hoque, Md. Najbul; Basu, Arghya; Das, Gopal","Pyridine–Urea-Based Anion Receptor: Formation of Cyclic Sulfate–Water Hexamer and Dihydrogen Phosphate–Water Trimer in Hydrophobic Environment","Crystal Growth & Design","2014","14","1","6","","10.1021/cg4015724","","","0.71073","MoKα","","0.08","0.0623","","","0.1987","0.2118","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510019","8.1791","0.0009","14.041","0.002","20.311","0.003","107.534","0.007","95.216","0.006","100.316","0.006","2162","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C29.5 H21 N O3 -","- C29.5 H21 N O3 -","- C118 H84 N4 O12 -","4","2","","Peebles, Cameron; Alvey, Paul M; Lynch, Vincent; Iverson, Brent L","Time-Dependent Solid State Polymorphism of a Series of Donor-Acceptor Dyads.","Crystal growth & design","2014","14","1","290","299","10.1021/cg401522v","","","0.71073","MoKα","","0.2309","0.0857","","","0.1561","0.2054","","","","","","1.264","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510020","4.672","0.001","43.934","0.008","15.519","0.003","90","","96.876","0.009","90","","3162.5","1.1","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C40 H45 N O3 -","- C40 H45 N O3 -","- C160 H180 N4 O12 -","4","1","","Peebles, Cameron; Alvey, Paul M; Lynch, Vincent; Iverson, Brent L","Time-Dependent Solid State Polymorphism of a Series of Donor-Acceptor Dyads.","Crystal growth & design","2014","14","1","290","299","10.1021/cg401522v","","","1.5418","CuKα","","0.3422","0.1905","","","0.2675","0.3377","","","","","","1.226","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510021","9.294","0.002","10.2523","0.0017","12.7","0.003","99.545","0.012","105.418","0.016","93.466","0.013","1143.4","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Cl3 N O3 -","- C27 H18 Cl3 N O3 -","- C54 H36 Cl6 N2 O6 -","2","1","","Peebles, Cameron; Alvey, Paul M; Lynch, Vincent; Iverson, Brent L","Time-Dependent Solid State Polymorphism of a Series of Donor-Acceptor Dyads.","Crystal growth & design","2014","14","1","290","299","10.1021/cg401522v","","","0.71073","MoKα","","0.1497","0.0624","","","0.1284","0.1644","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510022","17.8321","0.0017","46.606","0.004","18.9497","0.0018","90","","114.056","0.006","90","","14381","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69.25 H90.75 N4.25 O10.25 Zn -","- C58 H66 N2 O8 Zn -","- C464 H528 N16 O64 Zn8 -","8","1","","Redshaw, Carl; Rowe, Oliver; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.","Pillared Two-Dimensional Metal–Organic Frameworks Based on a Lower-Rim Acid Appended Calix[4]arene","Crystal Growth & Design","2014","14","1","270","","10.1021/cg4014703","","","0.7749","synchrotron","","0.0877","0.0713","","","0.1987","0.2129","","","","","","1.033","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4510023","10.539","0.008","12.738","0.01","23.029","0.019","103.24","0.016","95.592","0.014","91.319","0.017","2992","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C113 H137 N3 O17 Zn2 -","- C108 H126 N2 O16 Zn2 -","- C108 H126 N2 O16 Zn2 -","1","0.5","","Redshaw, Carl; Rowe, Oliver; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.","Pillared Two-Dimensional Metal–Organic Frameworks Based on a Lower-Rim Acid Appended Calix[4]arene","Crystal Growth & Design","2014","14","1","270","","10.1021/cg4014703","","","0.71073","MoKα","","0.1431","0.1246","","","0.3338","0.3485","","","","","","1.061","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4510024","26.249","0.003","10.0932","0.0013","47.44","0.006","90","","90","","90","","12569","3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C121 H151 N9 O21 Zn2 -","- C116 H132 N8 O20 Zn2 -","- C464 H528 N32 O80 Zn8 -","4","1","","Redshaw, Carl; Rowe, Oliver; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.","Pillared Two-Dimensional Metal–Organic Frameworks Based on a Lower-Rim Acid Appended Calix[4]arene","Crystal Growth & Design","2014","14","1","270","","10.1021/cg4014703","","","0.7749","synchrotron","","0.096","0.0835","","","0.2156","0.2235","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4510025","20.709","0.004","20.757","0.004","14.872","0.003","90","","129.01","0.03","90","","4967","3","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C24 H135 Cu6 Ge N24 Nb12 O62 V2 -","- C24 H64 Cu6 Ge N24 Nb12 O62 V2 -","- C48 H128 Cu12 Ge2 N48 Nb24 O124 V4 -","2","0.25","","Zhang, Ying; Shen, Jian-Qiang; Zheng, Li-Hua; Zhang, Zhi-Ming; Li, Yu-Xin; Wang, En-Bo","Four Polyoxonibate-Based Inorganic‒Organic Hybrids Assembly from Bicapped Heteropolyoxonibate with Effective Antitumor Activity","Crystal Growth & Design","2014","14","1","110","","10.1021/cg401227g","","","0.71073","MoKα","","0.0937","0.072","","","0.1879","0.2012","","","","","","1.048","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510026","20.746","0.004","20.789","0.004","14.94","0.003","90","","129.11","0.03","90","","5000","3","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C24 H138 Cu6 N24 Nb12 O63 Si V2 -","- C24 H64 Cu6 N24 Nb12 O63 Si V2 -","- C48 H128 Cu12 N48 Nb24 O126 Si2 V4 -","2","0.25","","Zhang, Ying; Shen, Jian-Qiang; Zheng, Li-Hua; Zhang, Zhi-Ming; Li, Yu-Xin; Wang, En-Bo","Four Polyoxonibate-Based Inorganic‒Organic Hybrids Assembly from Bicapped Heteropolyoxonibate with Effective Antitumor Activity","Crystal Growth & Design","2014","14","1","110","","10.1021/cg401227g","","","0.71073","MoKα","","0.0777","0.0623","","","0.1773","0.1887","","","","","","1.01","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510027","28.918","0.006","27.275","0.005","13.638","0.003","90","","93.88","0.03","90","","10732","4","293","2","293","2","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","","- C12 H94 Cu3 Ge K2 N12 Na4 Nb12 O65 V2 -","- C12 Cu3 Ge K2 N12 Na4 Nb12 O65 V2 -","- C48 Cu12 Ge4 K8 N48 Na16 Nb48 O260 V8 -","4","0.5","","Zhang, Ying; Shen, Jian-Qiang; Zheng, Li-Hua; Zhang, Zhi-Ming; Li, Yu-Xin; Wang, En-Bo","Four Polyoxonibate-Based Inorganic‒Organic Hybrids Assembly from Bicapped Heteropolyoxonibate with Effective Antitumor Activity","Crystal Growth & Design","2014","14","1","110","","10.1021/cg401227g","","","0.71073","MoKα","","0.1065","0.0697","","","0.1913","0.2126","","","","","","0.994","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510028","28.942","0.006","27.294","0.006","13.568","0.003","90","","93.87","0.03","90","","10694","4","293","2","293","2","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","","- C12 H86 Cu3 K2 N12 Na4 Nb12 O61 Si V2 -","- C12 H48 Cu3 K2 N12 Na4 Nb12 O61 Si V2 -","- C48 H192 Cu12 K8 N48 Na16 Nb48 O244 Si4 V8 -","4","0.5","","Zhang, Ying; Shen, Jian-Qiang; Zheng, Li-Hua; Zhang, Zhi-Ming; Li, Yu-Xin; Wang, En-Bo","Four Polyoxonibate-Based Inorganic‒Organic Hybrids Assembly from Bicapped Heteropolyoxonibate with Effective Antitumor Activity","Crystal Growth & Design","2014","14","1","110","","10.1021/cg401227g","","","0.71073","MoKα","","0.1477","0.0824","","","0.1897","0.218","","","","","","1.053","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510041","8.408","0.003","6.082","0.002","13.429","0.005","90","","90.023","0.005","90","","686.7","0.4","150","2","150","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Mahns, Benjamin; Kataeva, Olga; Islamov, Daut; Hampel, Silke; Steckel, Frank; Hess, Christian; Knupfer, Martin; Büchner, Bernd; Himcinschi, Cameliu; Hahn, Torsten; Renger, Roman; Kortus, Jens","Crystal Growth, Structure, and Transport Properties of the Charge-Transfer Salt Picene/2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane","Crystal Growth & Design","2014","14","3","1338","","10.1021/cg401841n","","x-ray","0.71073","MoKα","","0.0663","0.0427","","","0.1001","0.1121","","","","","","1.123","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510042","7.9197","0.0001","6.9998","0.0001","42.9408","0.0008","90","","91.429","0.001","90","","2379.74","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H14 F4 N4 -","- C34 H14 F4 N4 -","- C136 H56 F16 N16 -","4","1","","Mahns, Benjamin; Kataeva, Olga; Islamov, Daut; Hampel, Silke; Steckel, Frank; Hess, Christian; Knupfer, Martin; Büchner, Bernd; Himcinschi, Cameliu; Hahn, Torsten; Renger, Roman; Kortus, Jens","Crystal Growth, Structure, and Transport Properties of the Charge-Transfer Salt Picene/2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane","Crystal Growth & Design","2014","14","3","1338","","10.1021/cg401841n","","x-ray","0.71073","MoKα","","0.1124","0.0699","","","0.1915","0.2146","","","","","","1.12","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510043","10.5235","0.0002","12.9016","0.0002","17.2177","0.0003","90","","107.834","0.001","90","","2225.32","0.07","105","2","105","2","","","","","","","as described","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","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.048","0.0321","","","0.087","0.0919","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510044","10.5235","0.0002","12.9016","0.0002","17.2177","0.0003","90","","107.834","0.001","90","","2225.32","0.07","105","2","105","2","","","","","","","as described","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","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0448","0.0242","","","","0.0217","","","","","","1.109","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510045","8.1904","0.0002","8.5345","0.0002","15.4497","0.0003","90","","94.155","0.001","90","","1077.11","0.04","100","2","100","2","","","","","","","as described","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","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0288","0.0259","","","0.0825","0.0838","","","","","","1.139","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510046","8.1904","0.0002","8.5345","0.0002","15.4497","0.0003","90","","94.155","0.001","90","","1077.11","0.04","100","2","100","2","","","","","","","as described","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","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0214","0.0177","","","","0.0249","","","","","","1.649","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510047","8.1904","0.0002","8.5345","0.0002","15.4497","0.0003","90","","94.155","0.001","90","","1077.11","0.04","100","2","100","2","","","","","","","as described","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","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","neutron","0.42","neutrons","","0.0943","0.0602","","","0.1147","0.1197","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510048","17.4174","0.0006","8.4911","0.0003","15.4952","0.0005","90","","112.761","0.002","90","","2113.17","0.13","100","2","100","2","","","","","","","as described","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","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0425","0.0331","","","0.0992","0.1033","","","","","","1.098","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510049","17.4174","0.0006","8.4911","0.0003","15.4952","0.0005","90","","112.761","0.002","90","","2113.17","0.13","100","2","100","2","","","","","","","as described","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","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0414","0.0258","","","","0.037","","","","","","1.989","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510050","17.4174","0.0006","8.4911","0.0003","15.4952","0.0005","90","","112.761","0.002","90","","2113.17","0.13","100","2","100","2","","","","","","","as described","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","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.42","neutrons","","0.0717","0.07","","","0.1534","0.1543","","","","","","1.074","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510051","10.7891","0.0002","8.4836","0.0001","11.3978","0.0002","90","","91.643","0.001","90","","1042.82","0.03","100","2","100","2","","","","","","","as described","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","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0285","0.0245","","","0.0747","0.0766","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510052","10.7891","0.0002","8.4836","0.0001","11.3978","0.0002","90","","91.643","0.001","90","","1042.82","0.03","100","2","100","2","","","","","","","as described","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","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0191","0.0141","","","","0.0172","","","","","","1.103","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510053","10.7891","0.0002","8.4836","0.0001","11.3978","0.0002","90","","91.643","0.001","90","","1042.82","0.03","100","2","100","2","","","","","","","as described","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","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.42","neutrons","","0.0724","0.0724","","","0.1452","0.1452","","","","","","1.097","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510054","26.138","0.003","35.912","0.003","22.594","0.002","90","","90","","90","","21208","4","100","2","100","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C136 H188 Cu12 N4 O68 -","- C136 H120 Cu12 N4 O68 -","- C544 H480 Cu48 N16 O272 -","4","0.25","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","Secondary Building Unit (SBU) Controlled Formation of a Catalytically Active Metal‒Organic Polyhedron (MOP) Derived from a Flexible Tripodal Ligand","Crystal Growth & Design","2014","14","3","1331","","10.1021/cg4018322","","","0.71073","MoKα","","0.114","0.0711","","","0.2172","0.2417","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510055","27.73","0.003","11.6608","0.0011","5.118","0.0005","90","","90","","90","","1654.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H24 Co O10 -","- C15 H16 Co O10 -","- C60 H64 Co4 O40 -","4","0.5","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","Secondary Building Unit (SBU) Controlled Formation of a Catalytically Active Metal‒Organic Polyhedron (MOP) Derived from a Flexible Tripodal Ligand","Crystal Growth & Design","2014","14","3","1331","","10.1021/cg4018322","","","0.71073","MoKα","","0.0466","0.0444","","","0.1566","0.1597","","","","","","1.353","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510056","15.437","0.005","15.985","0.005","16.475","0.006","90","","90.145","0.013","90","","4065","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 K O10 Zn -","- C15 H15 K O10 Zn -","- C120 H120 K8 O80 Zn8 -","8","1","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","Secondary Building Unit (SBU) Controlled Formation of a Catalytically Active Metal‒Organic Polyhedron (MOP) Derived from a Flexible Tripodal Ligand","Crystal Growth & Design","2014","14","3","1331","","10.1021/cg4018322","","","0.71073","MoKα","","0.0955","0.0627","","","0.1734","0.1916","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510057","26.6907","0.0006","26.6907","","10.8875","0.0002","90","","90","","120","","6717.1","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman methanol clathrate","","- C55 H64 O7 -","- C55 H60 O7 -","- C330 H360 O42 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0515","0.0419","","","0.1128","0.1161","","","","","","1.005","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510058","26.7277","0.0016","26.7277","","10.861","0.0005","90","","90","","120","","6719.3","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C55 H63 N O8 -","- C54.9999 H62.9997 N0.9999 O7.9998 -","- C329.999 H377.998 N5.9994 O47.9988 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0841","0.0702","","","0.1761","0.1836","","","","","","1","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510059","26.6925","0.0014","26.6925","","10.9396","0.0004","90","","90","","120","","6750.1","0.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman ethanol clathrate","","- C56 H66 O7 -","- C55.9998 H65.9994 O6.9999 -","- C335.999 H395.996 O41.9994 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0921","0.0611","","","0.1466","0.1537","","","","","","1.029","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510060","26.8114","0.0006","26.8114","","10.8567","0.0003","90","","90","","120","","6758.8","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman dichloroethane clathrate","","- C110 H124 Cl2 O12 -","- C110 H124.001 Cl2.0004 O12 -","- C330.001 H372.002 Cl6.0012 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0608","0.0549","","","0.161","0.165","","","","","","1.001","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510061","26.7934","0.0006","26.7934","","10.8917","0.0002","90","","90","","120","","6771.5","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman hexane clathrate","","- C114 H134 O12 -","- C113.999 H133.999 O12 -","- C341.998 H401.996 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","1.54178","CuKα","","0.0422","0.0366","","","0.0954","0.1","","","","","","1.005","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510062","26.626","0.0004","26.626","","11.0546","0.0002","90","","90","","120","","6787.12","0.16","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman acetic acid clathrate","","- C56 H64 O8 -","- C56.0004 H64.0008 O8.0004 -","- C336.002 H384.005 O48.0024 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0467","0.04","","","0.1125","0.1153","","","","","","1.003","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510063","26.871","0.0008","26.871","","10.8595","0.0002","90","","90","","120","","6790.6","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman fluorobenzene clathrate","","- C114 H125 F O12 -","- C114.001 H125.001 F1.0002 O12 -","- C342.004 H375.003 F3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.081","0.0553","","","0.1552","0.1668","","","","","","1","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510064","26.8516","0.0014","26.8516","","10.9156","0.0005","90","","90","","120","","6815.8","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman bromoform clathrate","","- C109 H121 Br3 O12 -","- C109 H121 Br3.0006 O12 -","- C327.001 H363.001 Br9.0018 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0684","0.0532","","","0.172","0.1773","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510065","26.8671","0.0008","26.8671","","10.8701","0.0002","90","","90","","120","","6795.3","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman carbon tetrachloride clathrate","","- C109 H120 Cl4 O12 -","- C109 H120 Cl4 O12 -","- C327 H360 Cl12 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0465","0.0397","","","0.1118","0.1146","","","","","","1.001","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510066","26.9382","0.0008","26.9382","","10.8315","0.0002","90","","90","","120","","6807","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman chlorobenzene clathrate","","- C114 H125 Cl O12 -","- C114.001 H125.001 Cl1.0002 O12 -","- C342.004 H375.003 Cl3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0714","0.0583","","","0.142","0.1477","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510067","26.971","0.001","26.971","","10.7851","0.0003","90","","90","","120","","6794.4","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman iodobenzene clathrate","","- C114 H125 I O12 -","- C114.001 H125.001 I1.0002 O12 -","- C342.004 H375.003 I3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.1283","0.1143","","","0.2206","0.2268","","","","","","1.163","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510068","26.9737","0.0006","26.9737","","10.8105","0.0002","90","","90","","120","","6811.7","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C114 H125 Br O12 -","- C114.001 H125.001 Br1.0002 O12 -","- C342.004 H375.003 Br3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0881","0.0854","","","0.1835","0.1847","","","","","","1.167","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510069","26.8442","0.0006","26.8442","","10.9227","0.0002","90","","90","","120","","6816.5","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman acetone clathrate","","- C57 H66 O7 -","- C57.0006 H66.0012 O7.0002 -","- C342.004 H396.007 O42.0012 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0587","0.0451","","","0.1144","0.1188","","","","","","1.001","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510070","26.9804","0.0008","26.9804","","10.8173","0.0002","90","","90","","120","","6819.4","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman toluene clathrate","","- C115 H128 O12 -","- C115.001 H128.002 O12 -","- C345.004 H384.005 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0946","0.0828","","","0.2136","0.2194","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510071","26.904","0.0006","26.904","","10.885","0.0002","90","","90","","120","","6823.3","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman benzene clathrate","","- C114 H126 O12 -","- C114.001 H126.001 O12 -","- C342.004 H378.004 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0638","0.0485","","","0.1474","0.1546","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510072","26.8873","0.0008","26.8873","","10.9267","0.0002","90","","90","","120","","6840.9","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman carbon tetrahydrofuran clathrate","","- C58 H68 O7 -","- C58.0008 H68.0016 O7.0002 -","- C348.005 H408.01 O42.0012 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.056","0.0458","","","0.1327","0.1378","","","","","","1.005","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510073","26.9547","0.0006","26.9547","","10.9143","0.0002","90","","90","","120","","6867.5","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman trimethyl acetonitrile clathrate","","- C113 H129 N O12 -","- C111.666 H129 N0.3332 O12 -","- C334.999 H387 N0.9996 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0709","0.0609","","","0.1664","0.1719","","","","","","1.002","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510074","42.009","0.005","5.9508","0.0006","13.5541","0.0014","90","","92.817","0.005","90","","3384.3","0.6","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H17 N5 -","- C21 H17 N5 -","- C168 H136 N40 -","8","2","","Laird, Rebecca C.; Nguyen, Nam P.; Rusch, Sara F.; Baltrusaitis, Jonas; Macgillivray, Leonard R.","Noncentrosymmetric Packings Influenced by Electronic Properties of Products of Click Reactions.","Crystal growth & design","2014","14","3","893","896","10.1021/cg4016542","","","0.71073","MoKα","","0.0506","0.0377","","","0.0879","0.0958","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510075","37.7","0.004","5.7148","0.0006","7.2827","0.0008","90","","96.164","0.005","90","","1560","0.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H15 N5 -","- C20 H15 N5 -","- C80 H60 N20 -","4","1","","Laird, Rebecca C.; Nguyen, Nam P.; Rusch, Sara F.; Baltrusaitis, Jonas; Macgillivray, Leonard R.","Noncentrosymmetric Packings Influenced by Electronic Properties of Products of Click Reactions.","Crystal growth & design","2014","14","3","893","896","10.1021/cg4016542","","","0.71073","MoKα","","0.0797","0.0454","","","0.1027","0.1178","","","","","","0.977","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510076","10.667","0.002","18.767","0.004","11.252","0.002","90","","93.53","0.03","90","","2248.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Bis-((4,6-Dimethyl-nicotinonitrile-yl)-sulfanyl)-benzene","","- C24 H22 N4 S2 -","- C24 H22 N4 S2 -","- C96 H88 N16 S8 -","4","1","","Dubey, Rashmi; Singh, Praveen; Singh, Ajeet K.; Yadav, Manoj K.; Swati, D.; Vinayak, Manjula; Puerta, Carmen; Valerga, Pedro; Ravi Kumar, K.; Sridhar, B.; Tewari, Ashish K.","Polymorphic Signature of the Anti-inflammatory Activity of 2,2′-{[1,2-Phenylenebis(methylene)]bis(sulfanediyl)}bis(4,6-dimethylnicotinonitrile)","Crystal Growth & Design","2014","14","3","1347","","10.1021/cg401842y","","x-ray","0.71073","MoKα","","0.1065","0.0602","","","0.1474","0.1793","","","","","","0.979","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510077","10.6469","0.001","18.7554","0.0017","11.2374","0.001","90","","93.539","0.002","90","","2239.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Bis-((4,6-Dimethyl-nicotinonitrile-yl)-sulfanyl)-benzene","","- C24 H22 N4 S2 -","- C24 H22 N4 S2 -","- C96 H88 N16 S8 -","4","1","","Dubey, Rashmi; Singh, Praveen; Singh, Ajeet K.; Yadav, Manoj K.; Swati, D.; Vinayak, Manjula; Puerta, Carmen; Valerga, Pedro; Ravi Kumar, K.; Sridhar, B.; Tewari, Ashish K.","Polymorphic Signature of the Anti-inflammatory Activity of 2,2′-{[1,2-Phenylenebis(methylene)]bis(sulfanediyl)}bis(4,6-dimethylnicotinonitrile)","Crystal Growth & Design","2014","14","3","1347","","10.1021/cg401842y","","","0.71073","MoKα","","0.0602","0.0532","","","0.1456","0.1544","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510078","15.815","0.003","18.657","0.004","14.626","0.003","90","","92.98","0.03","90","","4309.7","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis-((4,6-Dimethyl-nicotinonitrile-yl)-sulfanyl)-benzene","","- C24 H22 N4 S2 -","- C24 H22 N4 S2 -","- C192 H176 N32 S16 -","8","2","","Dubey, Rashmi; Singh, Praveen; Singh, Ajeet K.; Yadav, Manoj K.; Swati, D.; Vinayak, Manjula; Puerta, Carmen; Valerga, Pedro; Ravi Kumar, K.; Sridhar, B.; Tewari, Ashish K.","Polymorphic Signature of the Anti-inflammatory Activity of 2,2′-{[1,2-Phenylenebis(methylene)]bis(sulfanediyl)}bis(4,6-dimethylnicotinonitrile)","Crystal Growth & Design","2014","14","3","1347","","10.1021/cg401842y","","x-ray","0.71073","MoKα","","0.0849","0.0563","","","0.1241","0.1416","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510079","11.5714","0.0005","11.5714","0.0005","22.773","0.002","90","","90","","120","","2640.7","0.3","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C17 H15 N2 O5 Zn -","- C17 H15 N2 O5 Zn -","- C102 H90 N12 O30 Zn6 -","6","0.5","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.1161","0.0694","","","0.1921","0.2336","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510080","8.301","0.003","11.146","0.004","13.363","0.005","86.427","0.007","84.122","0.007","83.573","0.008","1220.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H30 N7 O9 Zn -","- C17 H30 N7 O9 Zn -","- C34 H60 N14 O18 Zn2 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.0446","0.0394","","","0.0981","0.102","","","","","","0.988","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510081","8.1767","0.0007","9.8286","0.0005","10.5904","0.0012","96.118","0.006","110.718","0.009","98.952","0.006","774.24","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N4 O4 Zn -","- C14 H16 N4 O4 Zn -","- C28 H32 N8 O8 Zn2 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.0689","0.0473","","","0.0932","0.1077","","","","","","0.989","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510082","14.774","0.006","15.653","0.007","16.871","0.007","90","","90","","90","","3902","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N8 O11 Zn2 -","- C36 H32 N8 O11 Zn2 -","- C144 H128 N32 O44 Zn8 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.119","0.09","","","0.2053","0.2249","","","","","","1.044","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510083","17.37","0.005","12.694","0.004","12.332","0.004","90","","92.587","0.006","90","","2716.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N4 O9 Zn2 -","- C24 H24 N4 O9 Zn2 -","- C96 H96 N16 O36 Zn8 -","4","0.5","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.0475","0.0399","","","0.1332","0.147","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510084","12.581","0.005","26.347","0.005","29.852","0.005","90","0.005","90","0.005","90","0.005","9895","5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H30 F30 O22 Pb6 -","- C80 H30 F30 O22 Pb6 -","- C320 H120 F120 O88 Pb24 -","4","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71073","MoKα","","0.05","0.0391","","","0.0894","0.0953","","","","","","1.011","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510085","32.565","0.005","14.331","0.005","18.549","0.005","90","0.005","114.87","0.005","90","0.005","7854","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 F12 O10 Pb3 -","- C34 H18 F12 O10 Pb3 -","- C272 H144 F96 O80 Pb24 -","8","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71069","MoKα","","0.0595","0.0448","","","0.1072","0.1157","","","","","","0.994","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510086","32.486","0.005","14.351","0.005","18.557","0.005","90","0.005","114.461","0.005","90","0.005","7875","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H20 F12 O10 Pb3 -","- C35 H20 F12 O10 Pb3 -","- C280 H160 F96 O80 Pb24 -","8","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71069","MoKα","","0.0603","0.0454","","","0.1142","0.1244","","","","","","1.013","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510087","32.434","0.005","14.341","0.005","18.581","0.005","90","0.005","114.342","0.005","90","0.005","7874","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 F12 O10 Pb3 -","- C36 H22 F12 O10 Pb3 -","- C288 H176 F96 O80 Pb24 -","8","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71069","MoKα","","0.0567","0.046","","","0.118","0.1261","","","","","","1.055","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510088","44.582","0.005","14.441","0.005","29.792","0.005","90","0.005","120.92","0.005","90","0.005","16455","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H24 F24 O21 Pb6 -","- C78 H24 F24 O21 Pb6 -","- C624 H192 F192 O168 Pb48 -","8","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71069","MoKα","","0.0631","0.0413","","","0.1033","0.1103","","","","","","1.073","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510089","46.715","0.006","9.674","0.005","32.798","0.004","90","","100.79","0.005","90","","14560","8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Cd2 N8 O16 -","- C54 H40 Cd2 N8 O16 -","- C432 H320 Cd16 N64 O128 -","8","1","","Sen, Susan; Yamada, Teppei; Kitagawa, Hiroshi; Bharadwaj, Parimal K.","3D Coordination Polymer of Cd(II) with an Imidazolium-Based Linker Showing Parallel Polycatenation Forming Channels with Aligned Imidazolium Groups","Crystal Growth & Design","2014","14","3","1240","","10.1021/cg401760m","","","0.71069","MoKα","","0.1672","0.0701","","","0.1564","0.1843","","","","","","0.803","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510090","7.2754","0.0011","16.048","0.003","25.129","0.004","90","","90","","90","","2934","0.8","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C120 H152 N24 O32 -","8","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","1.54178","CuKα","","0.0452","0.0385","","","0.0884","0.0908","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510091","7.262","0.002","7.837","0.001","27.115","0.002","90","","96.43","0.02","90","","1533.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C60 H76 N12 O16 -","4","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","0.71073","MoKα","","0.0539","0.0472","","","0.1009","0.1054","","","","","","1.034","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510092","7.2139","0.0009","14.9348","0.0017","27.803","0.003","90","","90","","90","","2995.4","0.6","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Imazamox","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C120 H152 N24 O32 -","8","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","1.54178","CuKα","","0.0897","0.0582","","","0.1225","0.1363","","","","","","0.998","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510093","6.1344","0.0004","12.3989","0.0004","19.8456","0.0007","90","","90","","90","","1509.45","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","IMAZAMOX","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C60 H76 N12 O16 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","0.71073","MoKα","","0.0551","0.0428","","","0.099","0.1073","","","","","","0.949","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510094","28.0967","0.0008","28.0967","0.0008","22.9666","0.0014","90","","90","","120","","15701.4","1.1","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C54 H34 Li2 N0 O12 -","- C27 H17 Li O6 -","- C486 H306 Li18 O108 -","18","1","","Clough, Andrew; Zheng, Shou-Tian; Zhao, Xiang; Lin, Qipu; Feng, Pingyun; Bu, Xianhui","New Lithium Ion Clusters for Construction of Porous MOFs","Crystal Growth & Design","2014","14","3","897","","10.1021/cg4016756","","","0.71073","MoKα","","0.095","0.0677","","","0.1823","0.1971","","","","","","0.954","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510095","21.1288","0.0004","21.1288","0.0004","21.1288","0.0004","90","","90","","90","","9432.4","0.3","200","2","200","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C22 H22 Li4 N2 O13 -","- C21.9867 H6 Li4 N2 O13 -","- C263.84 H72 Li48 N24 O156 -","12","0.25","","Clough, Andrew; Zheng, Shou-Tian; Zhao, Xiang; Lin, Qipu; Feng, Pingyun; Bu, Xianhui","New Lithium Ion Clusters for Construction of Porous MOFs","Crystal Growth & Design","2014","14","3","897","","10.1021/cg4016756","","","0.71073","MoKα","","0.0999","0.0834","","","0.2352","0.2535","","","","","","1.182","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510096","20.852","0.003","20.852","0.003","56.734","0.019","90","","90","","120","","21363","8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C114 H162 Cu6 N30 O48 -","- C114 H144 Cu6 N30 O48 -","- C684 H864 Cu36 N180 O288 -","6","0.333333","","El Bakkali, Hanan; Choquesillo-Lazarte, Duane; Domínguez-Martín, Alicia; Pérez-Toro, M. Inmaculada; Lezama, L.; González-Pérez, Josefa M.; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","Cocrystallization of Mononuclear and Trinuclear Metallacycle Molecules from an Aqueous Mixed-Ligand Copper(II) Solution","Crystal Growth & Design","2014","14","3","889","","10.1021/cg4015898","","","0.71073","MoKα","","0.1164","0.0674","","","0.1713","0.1953","","","","","","0.992","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510097","13.299","0.0016","8.0627","0.001","22.101","0.003","90","","100.795","0.007","90","","2327.9","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0571","0.0426","","","0.1136","0.1225","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510098","7.279","0.004","11.601","0.006","13.669","0.007","90","","100.809","0.008","90","","1133.8","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0704","0.0485","","","0.1073","0.1161","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510099","7.4624","0.0016","7.7677","0.0017","10.981","0.002","91.289","0.006","95.146","0.007","102.19","0.007","619.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0589","0.0467","","","0.1249","0.1335","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510100","7.47","0.0007","6.7036","0.0006","24.933","0.002","90","","104.302","0.007","90","","1209.85","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O4 -","- C13 H9 N3 O4 -","- C52 H36 N12 O16 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0658","0.058","","","0.1549","0.1604","","","","","","1.108","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510101","9.0486","0.0011","10.8727","0.0013","23.603","0.003","90","","98.1","0.007","90","","2299","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71075","MoKα","","0.0775","0.0514","","","0.1171","0.1293","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510102","17.085","0.019","5.193","0.005","22.891","0.016","90","","112.28","0.06","90","","1879","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O5 -","- C20 H20 N4 O5 -","- C80 H80 N16 O20 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1038","0.0692","","","0.1615","0.2001","","","","","","1.145","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510103","11.481","0.004","17.733","0.005","18.57","0.006","76.543","0.005","88.68","0.006","81.754","0.006","3639","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O6 -","- C28 H28 N2 O6 -","- C168 H168 N12 O36 -","6","3","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1657","0.0746","","","0.172","0.2146","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510104","8.874","0.005","6.631","0.004","21.677","0.01","90","","110.72","0.018","90","","1193","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 O8 -","- C26 H22 N4 O8 -","- C52 H44 N8 O16 -","2","0.5","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0514","0.041","","","0.0966","0.1021","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510105","10.0131","0.0009","9.7642","0.0008","12.7953","0.0011","90","","99.809","0.007","90","","1232.71","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0642","0.0451","","","0.104","0.1136","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510106","8.968","","9.451","","9.637","","108.53","","105.05","","103.4","","702.458","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C26 H36 N4 O8 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0677","0.0541","","","0.1468","0.1566","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510107","9.3411","0.0016","9.6823","0.0017","10.1738","0.0017","67.609","0.005","67.912","0.005","88.549","0.006","780.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 N3 O4 -","- C14 H21 N3 O4 -","- C28 H42 N6 O8 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0713","0.0515","","","0.1445","0.1593","","","","","","0.978","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510108","7.9027","0.0016","9.251","0.002","9.692","0.002","70.636","0.005","77.528","0.007","79.727","0.007","648.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C28 H32 N4 O6 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.089","0.0535","","","0.1204","0.1383","","","","","","0.962","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510109","9.612","0.002","10.0841","0.0002","12.239","0.003","72.85","0.04","84.64","0.06","71.17","0.05","1072.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O6 -","- C23 H26 N2 O6 -","- C46 H52 N4 O12 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1165","0.0681","","","0.1455","0.2061","","","","","","1.328","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510110","6.6469","0.0008","12.9935","0.0015","16.782","0.002","90","","94.544","0.007","90","","1444.8","0.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0452","0.0395","","","0.0912","0.0942","","","","","","1.062","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510111","11.0254","0.0019","11.0167","0.0019","16.124","0.002","90","","127.876","0.008","90","","1545.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O4 -","- C15 H21 N2 O4 -","- C60 H84 N8 O16 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1125","0.0818","","","0.2038","0.218","","","","","","1.156","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510112","11.47","0.002","10.6498","0.0019","13.027","0.002","90","","121.303","0.011","90","","1359.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1038","0.0562","","","0.1354","0.1665","","","","","","1.095","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510113","11.2644","0.0019","11.2611","0.0019","21.64","0.004","90","","91.271","0.006","90","","2744.3","0.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","2","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid–Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0642","0.0508","","","0.1058","0.1115","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510114","14.895","0.005","9.852","0.002","5.353","0.002","90","","90","","90","","785.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 N3 O3 -","- C6 H13 N3 O3 -","- C24 H52 N12 O12 -","4","1","","Allouchi, Hassan; Nicolaï, Béatrice; Barrio, Maria; Céolin, René; Mahé, Nathalie; Tamarit, Josep-Lluís; Do, Bernard; Rietveld, Ivo B.","On the Polymorphism ofl-Citrulline: Crystal Structure and Characterization of the Orthorhombic δ Form","Crystal Growth & Design","2014","14","3","1279","","10.1021/cg401801u","","","1.5418","CuKα","","0.0661","0.0469","","","0.1144","0.1333","","","","","","1.089","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510115","8.6615","0.0013","9.2005","0.0014","11.4927","0.0017","95.719","0.002","107.982","0.002","101.265","0.002","841.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 I N2 O2 S -","- C15 H19 I N2 O2 S -","- C30 H38 I2 N4 O4 S2 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0302","0.0271","","","0.0628","0.0651","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510116","8.5794","0.0007","11.5623","0.001","12.2139","0.001","113.886","0.0012","107.764","0.0012","90.7049","0.0014","1042.09","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 I3 N2 O2 S -","- C15 H19 I3 N2 O2 S -","- C30 H38 I6 N4 O4 S2 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0393","0.0335","","","0.0713","0.0765","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510117","8.8726","0.0008","10.5812","0.0009","11.2061","0.001","94.041","0.001","104.4","0.001","90.717","0.001","1015.98","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 I2 N2 O2 S -","- C18 H22 I2 N2 O2 S -","- C36 H44 I4 N4 O4 S2 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0314","0.0254","","","0.0542","0.0573","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510118","25.3481","0.0018","5.9873","0.0004","28.34","0.002","90","","105.553","0.001","90","","4143.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 I5 N4 O4 S2 -","- C33 H40 I5 N4 O4 S2 -","- C132 H160 I20 N16 O16 S8 -","4","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0651","0.0432","","","0.0896","0.1012","","","","","","1.019","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510119","26.487","0.003","5.8297","0.0007","25.371","0.003","90","","101.571","0.003","90","","3838","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 I5 N4 O4 S2 -","- C30 H37 I5 N4 O4 S2 -","- C120 H148 I20 N16 O16 S8 -","4","0.5","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.1155","0.0496","","","0.0835","0.1052","","","","","","0.994","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510120","16.9768","0.0014","6.0927","0.0005","25.167","0.0015","90","","132.421","0.003","90","","1921.7","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H37 I5 N4 O4 S2 -","- C30 H37 I5 N4 O4 S2 -","- C60 H74 I10 N8 O8 S4 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0895","0.0578","","","0.0769","0.0874","","","","","","1.012","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510121","14.7755","0.0019","5.8535","0.0007","26.013","0.003","90","","110.101","0.006","90","","2112.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 I7 N4 O4 S2 -","- C30 H37 I7 N4 O4 S2 -","- C60 H74 I14 N8 O8 S4 -","2","0.5","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0457","0.036","","","0.074","0.0779","","","","","","1.129","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510122","9.536","0.002","28.337","0.007","13.672","0.004","90","","93.694","0.005","90","","3686.8","1.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 N6 O22 P5 U2 Zn -","- C20 H26 N6 O22 P5 U2 Zn -","- C80 H104 N24 O88 P20 U8 Zn4 -","4","1","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.114","0.063","","","0.1247","0.144","","","","","","1.021","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510123","10.7002","0.0005","18.6131","0.0009","9.4676","0.0005","90","","98.226","0.001","90","","1866.2","0.16","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O9 P2 U Zn -","- C13 H14 N2 O9 P2 U Zn -","- C52 H56 N8 O36 P8 U4 Zn4 -","4","1","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.0417","0.0319","","","0.0648","0.0681","","","","","","1.031","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510124","8.635","0.002","10.233","0.002","20.868","0.005","90","","100.692","0.003","90","","1811.9","0.7","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O8 P2 U Zn -","- C13 H14 N2 O8 P2 U Zn -","- C52 H56 N8 O32 P8 U4 Zn4 -","4","1","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.0337","0.0254","","","0.0564","0.0595","","","","","","1.025","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510125","12.2596","0.0009","12.603","0.001","13.043","0.001","99.225","0.001","105.58","0.001","105.042","0.001","1816.5","0.2","139","2","139","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 N8 O28 P6 U3 Zn2 -","- C60 H58 N8 O28 P6 U3 Zn2 -","- C60 H58 N8 O28 P6 U3 Zn2 -","1","0.5","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.059","0.0396","","","0.0767","0.0853","","","","","","1.032","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510126","9.5793","0.0005","11.5325","0.0006","14.0533","0.0008","84.971","0.001","72.14","0.001","78.808","0.001","1448.94","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H54 N4 O30 P8 U3 Zn2 -","- C36 H54 N4 O30 P8 U3 Zn2 -","- C36 H54 N4 O30 P8 U3 Zn2 -","1","0.5","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.0451","0.0343","","","0.0692","0.0771","","","","","","1.007","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510127","22.389","0.003","8.2386","0.0011","16.762","0.014","90","","90","","90","","3092","3","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H21 N4 O2 -","- C14 H21 N4 O2 -","- C112 H168 N32 O16 -","8","1","","Han, Lu-Lu; Li, Zhong-Hui; Chen, Jiang-Shan; Wang, Xing-Po; Sun, Di","Solution and Mechanochemical Syntheses of Two Novel Cocrystals: Ligand Length Modulated Interpenetration of Hydrogen-Bonded 2D 63-hcb Networks Based on a Robust Trimeric Heterosynthon","Crystal Growth & Design","2014","14","3","1221","","10.1021/cg4017454","","","0.71073","MoKα","","0.1231","0.0678","","","0.1808","0.2178","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510128","7.5238","0.0009","16.626","0.002","26.574","0.003","90","","90","","90","","3324.2","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N4 O2 -","- C15 H23 N4 O2 -","- C120 H184 N32 O16 -","8","1","","Han, Lu-Lu; Li, Zhong-Hui; Chen, Jiang-Shan; Wang, Xing-Po; Sun, Di","Solution and Mechanochemical Syntheses of Two Novel Cocrystals: Ligand Length Modulated Interpenetration of Hydrogen-Bonded 2D 63-hcb Networks Based on a Robust Trimeric Heterosynthon","Crystal Growth & Design","2014","14","3","1221","","10.1021/cg4017454","","","0.71073","MoKα","","0.121","0.0656","","","0.1553","0.183","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510129","8.821","0.005","18.955","0.009","9.288","0.005","90","","109.557","0.008","90","","1463.4","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Eu O10 -","- C12 H8 Eu O10 -","- C48 H32 Eu4 O40 -","4","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","0.71073","MoKα","","0.0489","0.0394","","","0.0888","0.0948","","","","","","1.057","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510130","8.728","0.005","18.911","0.01","9.289","0.006","90","","109.307","0.009","90","","1447","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O10 Tb -","- C12 H8 O10 Tb -","- C48 H32 O40 Tb4 -","4","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","0.71073","MoKα","","0.0479","0.0428","","","0.1099","0.1152","","","","","","1.064","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510131","8.783","0.005","18.952","0.009","9.285","0.005","90","","109.398","0.009","90","","1457.8","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Gd O10 -","- C12 H8 Gd O10 -","- C48 H32 Gd4 O40 -","4","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","0.71073","MoKα","","0.0469","0.0392","","","0.0935","0.1005","","","","","","1.06","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510132","11.0981","0.0004","12.3","0.0005","13.324","0.0006","77.141","0.004","77.071","0.003","79.576","0.003","1711.71","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Eu N0 O16 -","- C24 H10 Eu O16 -","- C48 H20 Eu2 O32 -","2","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","1.5418","CuKα","","0.0453","0.0441","","","0.1148","0.1159","","","","","","1.076","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510133","11.1102","0.0003","12.2579","0.0004","13.287","0.0005","77.034","0.003","76.785","0.003","79.413","0.003","1699.88","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N0 O16 Tb -","- C24 H8 O16 Tb -","- C48 H16 O32 Tb2 -","2","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","1.5418","CuKα","","0.039","0.0374","","","0.1025","0.104","","","","","","1.092","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510134","11.109","0.0004","12.2814","0.0005","13.3034","0.0005","77.155","0.004","77.056","0.003","79.616","0.003","1708.32","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Gd N0 O16 -","- C24 H10 Gd O16 -","- C48 H20 Gd2 O32 -","2","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","1.5418","CuKα","","0.0431","0.0422","","","0.1127","0.1138","","","","","","1.073","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510135","4.986","0.0002","14.6944","0.0007","16.868","0.0008","90","","96.905","0.001","90","","1226.89","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 O6 -","- C28 H24 N4 O6 -","- C56 H48 N8 O12 -","2","0.5","","Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.","Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes","Crystal Growth & Design","2014","14","3","993","","10.1021/cg401380a","","","0.71073","MoKα","","0.0488","0.0418","","","0.1047","0.1102","","","","","","1.035","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510136","4.5301","0.001","11.579","0.003","12.321","0.003","111.787","0.003","99.823","0.003","97.184","0.003","578.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N4 O5 -","- C29 H20 N4 O5 -","- C29 H20 N4 O5 -","1","0.5","","Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.","Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes","Crystal Growth & Design","2014","14","3","993","","10.1021/cg401380a","","","0.7749","synchrotron","","0.1339","0.0989","","","0.267","0.2975","","","","","","1.088","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510137","8.9148","0.0005","9.4752","0.0005","9.8948","0.0005","110.584","0.001","108.502","0.001","104.815","0.001","675.53","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N4 O8 -","- C28 H28 N4 O8 -","- C28 H28 N4 O8 -","1","0.5","","Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.","Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes","Crystal Growth & Design","2014","14","3","993","","10.1021/cg401380a","","","0.71073","MoKα","","0.0737","0.0406","","","0.0803","0.092","","","","","","0.893","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510138","4.895","0.003","14.586","0.008","16.285","0.009","90","","104.125","0.011","90","","1127.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 O4 -","- C28 H20 N4 O4 -","- C56 H40 N8 O8 -","2","0.5","","Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.","Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes","Crystal Growth & Design","2014","14","3","993","","10.1021/cg401380a","","","0.71073","MoKα","","0.0831","0.0599","","","0.1354","0.146","","","","","","1.072","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510139","11.7527","0.0002","11.8972","0.0002","13.3762","0.0002","90","","90","","90","","1870.32","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cu4 I4 S2 -","- C8 H16 Cu4 I4 S2 -","- C32 H64 Cu16 I16 S8 -","4","1","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0462","0.0458","","","0.1166","0.1169","","","","","","1.08","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510140","9.5915","0.0002","10.8378","0.0003","15.7597","0.0004","73.217","0.001","72.4319","0.0012","69.2273","0.0011","1429.64","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Cu4 I4 S4 -","- C16 H32 Cu4 I4 S4 -","- C32 H64 Cu8 I8 S8 -","2","1","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0517","0.0501","","","0.1613","0.1621","","","","","","1.163","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510141","22.7901","0.0007","13.2617","0.0004","16.0147","0.0005","90","","90.1331","0.0011","90","","4840.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H27 Cu3 I3 N S3 -","- C14 H27 Cu3 I3 N S3 -","- C112 H216 Cu24 I24 N8 S24 -","8","1","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0312","0.0304","","","0.078","0.0785","","","","","","1.175","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510142","9.5824","0.0002","34.9161","0.0006","17.9841","0.0003","90","","91.281","0.001","90","","6015.62","0.19","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cu4 I4 S4 -","- C16 H32 Cu4 I4 S4 -","- C128 H256 Cu32 I32 S32 -","8","2","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0529","0.0476","","","0.1142","0.1182","","","","","","1.064","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510143","11.9107","0.0004","12.2273","0.0004","21.0371","0.0006","90","","97.434","0.002","90","","3038","0.17","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H59 Cu10 I10 N S7 -","- C30 H59 Cu10 I10 N S7 -","- C60 H118 Cu20 I20 N2 S14 -","2","0.5","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0686","0.0545","","","0.1428","0.1531","","","","","","1.14","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510144","8.8461","0.0013","10.328","0.0015","15.349","0.002","107.093","0.003","103.143","0.003","94.373","0.003","1289.8","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H36 F6 Fe2 N12 S2 -","- C62 H36 F6 Fe2 N12 S2 -","- C62 H36 F6 Fe2 N12 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1244","0.0766","","","0.2108","0.2385","","","","","","1.038","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510145","8.9102","0.0011","19.302","0.002","15.1245","0.0018","90","","94.102","0.002","90","","2594.5","0.5","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H36 F6 Fe2 N12 -","- C62 H36 F6 Fe2 N12 -","- C124 H72 F12 Fe4 N24 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1339","0.0526","","","0.0885","0.1084","","","","","","1.02","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510146","8.618","0.003","10.569","0.005","11.615","0.005","102.884","0.006","90.817","0.006","94.545","0.006","1027.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 F8 Fe2 N8 -","- C50 H30 F8 Fe2 N8 -","- C50 H30 F8 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71069","MoKα","","0.0427","0.0415","","","0.1135","0.1147","","","","","","1.024","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510147","23.7236","0.0009","13.0622","0.0005","29.5079","0.0012","90","","90","","90","","9144","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H34 F8 Fe2 N8 -","- C52 H34 F8 Fe2 N8 -","- C416 H272 F64 Fe16 N64 -","8","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0888","0.0498","","","0.1124","0.1306","","","","","","1.012","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510148","11.373","0.002","12.066","0.002","15.327","0.003","79.997","0.004","72.885","0.004","73.854","0.004","1921.2","0.6","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H30 F6 Fe2 N6 S2 -","- C44 H30 F6 Fe2 N6 S2 -","- C88 H60 F12 Fe4 N12 S4 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1017","0.0597","","","0.1504","0.1702","","","","","","1.035","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510149","20.898","0.004","12.177","0.002","15.722","0.003","90","","114.889","0.003","90","","3629.3","1.2","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H34 F4 Fe2 N4 -","- C40 H34 F4 Fe2 N4 -","- C160 H136 F16 Fe8 N16 -","4","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.12","0.0852","","","0.2637","0.2949","","","","","","1.078","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510150","12.0515","0.0007","12.685","0.0008","14.0055","0.0008","99.383","0.001","112.387","0.001","102.404","0.001","1861.07","0.19","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 F2 Fe2 N4 -","- C42 H40 F2 Fe2 N4 -","- C84 H80 F4 Fe4 N8 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0533","0.0446","","","0.1344","0.1438","","","","","","1.023","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510151","12.2511","0.0017","12.3531","0.0018","15.823","0.002","67.104","0.003","69.177","0.003","61.263","0.003","1891.8","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 F4 Fe2 N4 -","- C42 H38 F4 Fe2 N4 -","- C84 H76 F8 Fe4 N8 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1181","0.0576","","","0.1221","0.147","","","","","","0.951","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510152","29.4296","0.0019","12.2475","0.0007","21.0413","0.0011","90","","103.236","0.002","90","","7382.6","0.7","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 F4 Fe2 N4 -","- C41 H35.99 F4 Fe2 N4 -","- C328 H287.92 F32 Fe16 N32 -","8","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0984","0.0557","","","0.1608","0.1885","","","","","","1.046","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510153","8.226","0.003","21.294","0.007","20.955","0.006","90","","95.088","0.006","90","","3656","2","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Fe2 N4 Ni S4 -","- C36 H34 Fe2 N4 Ni S4 -","- C144 H136 Fe8 N16 Ni4 S16 -","4","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor–Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0629","0.0522","","","0.1363","0.1476","","","","","","1.042","","","","has coordinates,has disorder","301843","2025-08-21","01:58:35",""
"4510154","18.4129","0.0009","18.4129","0.0009","12.3856","0.0007","90","","90","","120","","3636.6","0.3","210","2","210","2","","","","","","","","5","P 65","P 65","170","","","","- C4 H10 N2 O20 U3 -","- C4 H10 N2 O20 U3 -","- C24 H60 N12 O120 U18 -","6","1","","de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.","Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials","Crystal Growth & Design","2014","14","3","1357","","10.1021/cg401849r","","","0.71073","MoKα","","0.0319","0.0269","","","0.0617","0.0637","","","","","","1.11","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510155","15.1783","0.0012","13.5727","0.001","21.9418","0.0013","90","","114.569","0.004","90","","4111","0.5","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N5 O39 U5 -","- C8 H20 N5 O39 U5 -","- C32 H80 N20 O156 U20 -","4","1","","de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.","Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials","Crystal Growth & Design","2014","14","3","1357","","10.1021/cg401849r","","","0.71073","MoKα","","0.0366","0.0246","","","0.0538","0.0583","","","","","","1.05","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510156","10.761","0.004","12.478","0.004","15.846","0.005","90","","90","","90","","2127.7","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 N3 O20 U3 -","- C6 H14 N3 O20 U3 -","- C24 H56 N12 O80 U12 -","4","1","","de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.","Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials","Crystal Growth & Design","2014","14","3","1357","","10.1021/cg401849r","","","0.71073","MoKα","","0.0283","0.0234","","","0.0418","0.0433","","","","","","1.062","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510157","10.3413","0.0013","11.9522","0.0016","13.6997","0.0017","104.168","0.002","96.189","0.002","95.169","0.002","1620.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H64 As6 Cu3 Mo6 N16 O42 -","- C24 H58 As6 Cu3 Mo6 N16 O42 -","- C24 H58 As6 Cu3 Mo6 N16 O42 -","1","0.5","","Zhao, Jun-Wei; Zhang, Jing-Li; Li, Yan-Zhou; Cao, Jing; Chen, Li-Juan","Novel One-Dimensional Organic‒Inorganic Polyoxometalate Hybrids Constructed from Heteropolymolybdate Units and Copper‒Aminoacid Complexes","Crystal Growth & Design","2014","14","3","1467","","10.1021/cg500019g","","","0.71073","MoKα","","0.0678","0.0576","","","0.1554","0.1596","","","","","","1.089","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510158","10.9476","0.0009","11.3888","0.0009","16.2334","0.0013","89.329","0.001","78.608","0.001","82.383","0.001","1966.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H100 Cu3 Mo6 N24 O44 Te -","- C36 H84 Cu3 Mo6 N24 O44 Te -","- C36 H84 Cu3 Mo6 N24 O44 Te -","1","0.5","","Zhao, Jun-Wei; Zhang, Jing-Li; Li, Yan-Zhou; Cao, Jing; Chen, Li-Juan","Novel One-Dimensional Organic‒Inorganic Polyoxometalate Hybrids Constructed from Heteropolymolybdate Units and Copper‒Aminoacid Complexes","Crystal Growth & Design","2014","14","3","1467","","10.1021/cg500019g","","","0.71073","MoKα","","0.0472","0.0377","","","0.0931","0.0979","","","","","","1.028","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510159","6.329","0.005","17.445","0.015","21.917","0.018","90","","90","","90","","2420","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","","Bera, Santu; Jana, Poulami; Maity, Suman K.; Haldar, Debasish","Inhibition of Fibril Formation by Tyrosine Modification of Diphenylalanine: Crystallographic Insights","Crystal Growth & Design","2014","14","3","1032","","10.1021/cg4015042","","","0.71073","MoKα","","0.179","0.0814","","","0.1844","0.2291","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510160","21.195","0.004","23.059","0.005","5.1058","0.0011","90","","90","","90","","2495.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","- C96 H124 N8 O30 -","2","0.5","","Bera, Santu; Jana, Poulami; Maity, Suman K.; Haldar, Debasish","Inhibition of Fibril Formation by Tyrosine Modification of Diphenylalanine: Crystallographic Insights","Crystal Growth & Design","2014","14","3","1032","","10.1021/cg4015042","","","0.71073","MoKα","","0.1239","0.064","","","0.1112","0.1482","","","","","","1.091","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510161","5.071","0.001","13.93","0.01","16.36","0.01","90","","90.01","0.02","90","","1155.7","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","- C48 H60 N4 O12 -","2","1","","Bera, Santu; Jana, Poulami; Maity, Suman K.; Haldar, Debasish","Inhibition of Fibril Formation by Tyrosine Modification of Diphenylalanine: Crystallographic Insights","Crystal Growth & Design","2014","14","3","1032","","10.1021/cg4015042","","","0.71073","MoKα","","0.1486","0.068","","","0.1394","0.1939","","","","","","0.959","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510162","12.898","0.0006","5.6734","0.0003","22.5802","0.0012","90","","104","0.001","90","","1603.24","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","","Stokes, Stephen P.; Seaton, Colin C.; Eccles, Kevin S.; Maguire, Anita R.; Lawrence, Simon E.","Insight into the Mechanism of Formation of Channel Hydrates via Templating","Crystal Growth & Design","2014","14","3","1158","","10.1021/cg401660h","","","0.71073","MoKα","","0.0848","0.0419","","","0.1021","0.1142","","","","","","0.882","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510163","8.7604","0.001","10.0725","0.0012","25.881","0.003","96.591","0.003","92.22","0.003","90.392","0.003","2266.8","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O4 S10 -","- C16 H12 O4 S10 -","- C64 H48 O16 S40 -","4","2","","Terauchi, Takeshi; Sumi, Satoshi; Kobayashi, Yuka; Matsushita, Yoshitaka; Sato, Akira","Two-Dimensional Brickblock Arrangement in Bis-Fused Tetrathiafulvalene Semiconductors","Crystal Growth & Design","2014","14","3","1412","","10.1021/cg401883g","","","0.710747","MoKα","","0.0951","0.055","","","0.1027","0.1193","","","","","","0.844","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510164","8.1166","0.0015","9.2828","0.0017","14.75","0.003","76.56","0.006","84.187","0.008","85.037","0.008","1073.1","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 O4 S10 -","- C16 H10 O4 S10 -","- C32 H20 O8 S20 -","2","1","","Terauchi, Takeshi; Sumi, Satoshi; Kobayashi, Yuka; Matsushita, Yoshitaka; Sato, Akira","Two-Dimensional Brickblock Arrangement in Bis-Fused Tetrathiafulvalene Semiconductors","Crystal Growth & Design","2014","14","3","1412","","10.1021/cg401883g","","","0.710747","MoKα","","0.0858","0.0432","","","0.0843","0.0984","","","","","","0.956","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510165","22.3221","0.0004","22.749","0.0004","22.8496","0.0004","79.364","0.001","73.353","0.001","73.142","0.001","10573.7","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H88 B18 Co O8 P3 -","- C96 H88 B18 Co O8 P3 -","- C384 H352 B72 Co4 O32 P12 -","4","2","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.1135","0.0793","","","0.2234","0.2469","","","","","","1.012","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510166","36.549","0.003","38.148","0.003","55.536","0.004","90","","90","","90","","77432","10","100","2","99.99","","","","","","","","","6","I m m m","-I 2 2","71","","","","- C72 H78 B54 Co3 Cu6 O30 -","- C72 H78 B54 Co3 Cu6 O30 -","- C576 H624 B432 Co24 Cu48 O240 -","8","0.5","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.1358","0.0939","","","0.2551","0.272","","","","","","0.979","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510167","18.248","0.002","18.248","0.002","47.113","0.007","90","","90","","120","","13586","3","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C24 H26 B18 Co Cu2 O10 -","- C24 H26 B18 Co Cu2 O10 -","- C144 H156 B108 Co6 Cu12 O60 -","6","0.5","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.2107","0.1544","","","0.4582","0.4944","","","","","","1.778","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510168","10.7991","0.0005","13.1642","0.0006","21.7471","0.0009","82.24","0.002","76.013","0.002","76.535","0.002","2907.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H134 B36 Co2 Cs2 O29 -","- C84 H134 B36 Co2 Cs2 O29 -","- C84 H134 B36 Co2 Cs2 O29 -","1","0.5","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.0511","0.0454","","","0.117","0.1241","","","","","","1.042","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510169","15.5106","0.001","6.2871","0.0004","14.1238","0.001","90","","106.086","0.003","90","","1323.38","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","214544 (3709-57-04)","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","","Bevill, Melanie J.; Vlahova, Petinka I.; Smit, Jared P.","Polymorphic Cocrystals of Nutraceutical Compoundp-Coumaric Acid with Nicotinamide: Characterization, Relative Solid-State Stability, and Conversion to Alternate Stoichiometries","Crystal Growth & Design","2014","14","3","1438","","10.1021/cg4019037","","","0.71073","MoKα","","0.0603","0.0461","","","0.1292","0.1408","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510170","40.076","0.002","7.1979","0.0004","22.2876","0.0012","90","","122.479","0.002","90","","5423.6","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","212394 (3709-54-05)","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C240 H224 N32 O64 -","16","2","","Bevill, Melanie J.; Vlahova, Petinka I.; Smit, Jared P.","Polymorphic Cocrystals of Nutraceutical Compoundp-Coumaric Acid with Nicotinamide: Characterization, Relative Solid-State Stability, and Conversion to Alternate Stoichiometries","Crystal Growth & Design","2014","14","3","1438","","10.1021/cg4019037","","","0.71073","MoKα","","0.0887","0.0537","","","0.1346","0.1492","","","","","","1.084","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510171","14.9929","0.0011","8.4425","0.0006","19.9004","0.0013","90","","109.337","0.001","90","","2376.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cd2 N2 O9 -","- C26 H16 Cd2 N2 O9 -","- C104 H64 Cd8 N8 O36 -","4","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0274","0.0237","","","0.0545","0.0562","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510172","7.6105","0.0006","16.907","0.0012","18.8834","0.0014","90","","90","","90","","2429.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cd N O5 -","- C13 H7 Cd N O5 -","- C104 H56 Cd8 N8 O40 -","8","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0265","0.0238","","","0.0526","0.0542","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510173","14.4791","0.0009","12.5483","0.0009","15.9612","0.0011","90","","93.14","0.001","90","","2895.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd2 N2 O15 -","- C26 H14 Cd2 N2 O15 -","- C104 H56 Cd8 N8 O60 -","4","0.5","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0265","0.0244","","","0.0699","0.0713","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510174","14.2014","0.0019","31.085","0.003","12.2254","0.0013","90","","120.053","0.002","90","","4671.4","0.9","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H13 Cd N2 O5 -","- C18 H13 Cd N2 O5 -","- C144 H104 Cd8 N16 O40 -","8","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0596","0.0402","","","0.0853","0.0897","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510175","16.6363","0.0013","11.7664","0.0009","11.7332","0.0009","90","","96.052","0.001","90","","2284","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H22 Cd2 N4 O11 -","- C36 H22 Cd2 N4 O11 -","- C72 H44 Cd4 N8 O22 -","2","0.5","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0293","0.0277","","","0.0699","0.0708","","","","","","1.054","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510176","8.7982","0.0016","11.695","0.002","18.886","0.003","103.833","0.003","93.527","0.003","105.995","0.003","1796.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Cd2 N4 O8 -","- C36 H22 Cd2 N4 O8 -","- C72 H44 Cd4 N8 O16 -","2","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0789","0.0665","","","0.2184","0.2463","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510177","16.2673","0.0017","7.28","0.0007","16.2873","0.0016","90","","106.001","0.002","90","","1854.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cd N2 O6 -","- C19 H13 Cd N2 O6 -","- C76 H52 Cd4 N8 O24 -","4","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.041","0.0344","","","0.0749","0.0781","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510178","7.067","0.0006","9.5235","0.0009","10.4625","0.0009","111.73","0.001","101.486","0.001","96.874","0.001","626.38","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N Ni O6 -","- C13 H11 N Ni O6 -","- C26 H22 N2 Ni2 O12 -","2","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0334","0.0308","","","0.0786","0.0806","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510179","17.523","0.008","17.315","0.009","15.91","0.008","90","","108.41","0.009","90","","4580","4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C38 H40 N4 Ni2 O16 -","- C38 H28 N4 Ni2 O14 -","- C152 H112 N16 Ni8 O56 -","4","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.1275","0.0785","","","0.247","0.3078","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510180","13.0656","0.001","20.0395","0.0015","25.521","0.002","90","","90","","90","","6682.1","0.9","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H30 N4 Ni2 O11 -","- C38 H30 N4 Ni2 O11 -","- C304 H240 N32 Ni16 O88 -","8","0.5","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0567","0.0399","","","0.0757","0.0833","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510181","10.5388","0.0008","19.9776","0.0018","19.07","0.0014","90","","90","","90","","4015","0.6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C19 H19 N2 Ni O7 -","- C19 H17 N2 Ni O7 -","- C152 H136 N16 Ni8 O56 -","8","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0587","0.0454","","","0.1131","0.1202","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510182","31.517","0.012","14.882","0.004","28.494","0.008","90","","120.19","0.02","90","","11552","7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H67 Gd2 N3 O23 -","- C75 H42 Gd2 N2 O22 -","- C300 H168 Gd8 N8 O88 -","4","0.5","","Biswas, Soumava; Jena, Himanshu Sekhar; Goswami, Soumyabrata; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Two Lanthanide (Gd3+and Dy3+)-Based Three-Dimensional Metal Organic Frameworks with Squashed Metallomacrocycle Type Building Blocks and Their Magnetic, Sorption, and Fluorescence Properties Study","Crystal Growth & Design","2014","14","3","1287","","10.1021/cg401804e","","","0.71073","MoKα","","0.0649","0.0623","","","0.1532","0.1548","","","","","","1.171","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510183","31.28","0.03","14.735","0.013","28.51","0.05","90","","120.13","0.05","90","","11365","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H67 Dy2 N3 O23 -","- C75 H56 Dy2 N2 O22 -","- C300 H224 Dy8 N8 O88 -","4","0.5","","Biswas, Soumava; Jena, Himanshu Sekhar; Goswami, Soumyabrata; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Two Lanthanide (Gd3+and Dy3+)-Based Three-Dimensional Metal Organic Frameworks with Squashed Metallomacrocycle Type Building Blocks and Their Magnetic, Sorption, and Fluorescence Properties Study","Crystal Growth & Design","2014","14","3","1287","","10.1021/cg401804e","","","0.71073","MoKα","","0.1001","0.0737","","","0.2349","0.2498","","","","","","1.251","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510184","7.622","0.002","30.003","0.006","5.884","0.001","90","","90","","90","","1345.6","0.5","173","2","173","2","","","","","","","","4","P c c 2","P 2 -2c","27","03157","","","- C12 H6 Br2 S3 -","- C12 H6 Br2 S3 -","- C48 H24 Br8 S12 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0583","0.0527","","","0.1144","0.1169","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510185","9.1417","0.0007","12.9641","0.001","10.8","0.0009","90","","92.378","0.002","90","","1278.85","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 Br N3 S2 -","- C13 H4 Br N3 S2 -","- C52 H16 Br4 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0329","0.0299","","","0.1153","0.1178","","","","","","1.015","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510186","20.488","0.01","5.153","0.003","19.516","0.01","90","","91.815","0.008","90","","2059.4","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","03128","","","- C11 H5 N3 O2 S -","- C11 H5 N3 O2 S -","- C88 H40 N24 O16 S8 -","8","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0559","0.0463","","","0.1163","0.1257","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510187","25.335","0.004","5.0261","0.0008","15.713","0.002","90","","123.924","0.002","90","","1660.2","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","03133","","","- C6 H4 Br2 O2 S -","- C6 H4 Br2 O2 S -","- C48 H32 Br16 O16 S8 -","8","2","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0519","0.0441","","","0.1009","0.1073","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510188","7.8613","0.001","24.495","0.003","6.1207","0.0008","90","","90","","90","","1178.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H5 N3 S2 -","- C13 H5 N3 S2 -","- C52 H20 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0348","0.0303","","","0.0676","0.0691","","","","","","1.062","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510189","13.677","0.002","5.3859","0.0008","16.245","0.003","90","","93.971","0.003","90","","1193.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","03174","","","- C11 H4 Br N3 O2 S -","- C11 H4 Br N3 O2 S -","- C44 H16 Br4 N12 O8 S4 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0519","0.0381","","","0.0932","0.0984","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510190","19.311","0.003","5.173","0.0008","15.885","0.003","90","","120.464","0.002","90","","1367.8","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","03169","","","- C12 H8 Br2 O4 S2 -","- C12 H8 Br2 O4 S2 -","- C48 H32 Br8 O16 S8 -","4","0.5","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0292","0.0242","","","0.0517","0.0533","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510191","12.7139","0.0005","9.3505","0.0002","12.9473","0.0005","90","","90","","90","","1539.19","0.09","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C13 H13 N O7 U -","- C13 H13 N O7 U -","- C52 H52 N4 O28 U4 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0425","0.0327","","","0.0746","0.0781","","","","","","1.093","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510192","12.7337","0.0004","12.5615","0.0003","17.8737","0.0005","90","","90","","90","","2858.98","0.14","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H11 N O7 S U -","- C11 H11 N O7 S U -","- C88 H88 N8 O56 S8 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0313","0.0224","","","0.051","0.053","","","","","","1.054","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510193","9.7799","0.0002","11.3381","0.0004","12.6008","0.0005","90","","90","","90","","1397.25","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O7 S U -","- C11 H11 N O7 S U -","- C44 H44 N4 O28 S4 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0229","0.0213","","","0.0482","0.0487","","","","","","1.015","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510194","13.6318","0.0006","20.8012","0.0005","17.6809","0.0007","90","","112.339","0.002","90","","4637.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H46 N3 O21.5 U3 -","- C39 H45 N3 O21.5 U3 -","- C156 H180 N12 O86 U12 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0638","0.0377","","","0.0832","0.091","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510195","11.175","0.0006","11.2003","0.0005","11.2336","0.0006","61.51","0.003","66.654","0.002","62.995","0.003","1071.65","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O9 U -","- C22 H20 N2 O9 U -","- C44 H40 N4 O18 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0315","0.0248","","","0.056","0.0575","","","","","","0.989","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510196","14.0316","0.0004","15.2564","0.0006","17.7817","0.0006","90","","102.405","0.002","90","","3717.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 N5 Ni O19 U2 -","- C27 H39 N5 Ni O19 U2 -","- C108 H156 N20 Ni4 O76 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.066","0.0392","","","0.0729","0.0784","","","","","","1.042","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510197","8.2609","0.0016","10.149","0.002","12.461","0.002","112.995","0.002","99.133","0.003","99.881","0.003","917.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C40 H28 N8 O8 Zn2 -","2","1","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.1096","0.0518","","","0.087","0.108","","","","","","1.039","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510198","8.415","0.0011","10.1129","0.0011","14.677","0.002","74.174","0.001","80.742","0.001","78.673","0.001","1170.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N4 O6 Zn -","- C20 H18 N4 O6 Zn -","- C40 H36 N8 O12 Zn2 -","2","1","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0841","0.0534","","","0.1499","0.1738","","","","","","1.058","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510199","20.8725","0.0017","8.9411","0.0007","11.443","0.0009","90","","114.058","0.001","90","","1950","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Co N4 O6 -","- C20 H18 Co N4 O6 -","- C80 H72 Co4 N16 O24 -","4","0.5","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0274","0.0259","","","0.0721","0.0735","","","","","","1.021","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510200","10.627","0.002","6.2498","0.0013","17.169","0.003","90","","118.378","0.009","90","","1003.3","0.3","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H16 N4 Ni O5 -","- C20 H16 N4 Ni O5 -","- C40 H32 N8 Ni2 O10 -","2","1","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.1097","0.0562","","","0.0791","0.0963","","","","","","0.971","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510201","16.2445","0.0011","16.4805","0.0011","25.7372","0.0017","90","","90","","90","","6890.3","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C67 H62 Co5 N6 O25 -","- C67 H62 Co5 N6 O25 -","- C268 H248 Co20 N24 O100 -","4","0.5","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0572","0.0449","","","0.129","0.1385","","","","","","1.04","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510202","18.2139","0.0015","11.79","0.001","16.5932","0.0013","90","","111.32","0.001","90","","3319.4","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N4 O9 Zn2 -","- C36 H24 N4 O9 Zn2 -","- C144 H96 N16 O36 Zn8 -","4","0.5","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0359","0.0278","","","0.0687","0.0737","","","","","","1.035","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510203","4.9004","0.001","14.202","0.003","14.325","0.003","118.43","0.03","93.44","0.03","97.06","0.03","862","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","benzimidazole salt of sebacic acid","","","- C17 H24 N2 O4 -","- C17 H24 N2 O4 -","- C34 H48 N4 O8 -","2","1","","Rachocki, Adam; Pogorzelec-Glaser, Katarzyna; Ławniczak, Paweł; Pugaczowa-Michalska, Maria; Łapiński, Andrzej; Hilczer, Bożena; Matczak, Michał; Pietraszko, Adam","Proton Conducting Compound of Benzimidazole with Sebacic Acid: Structure, Molecular Dynamics, and Proton Conductivity","Crystal Growth & Design","2014","14","3","1211","","10.1021/cg401742b","","","0.71073","MoKα","","0.1942","0.0525","","","0.1014","0.1369","","","","","","0.749","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510204","7.5051","0.0014","11.468","0.002","13.694","0.003","83.123","0.003","84.66","0.003","82.833","0.004","1157.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N4 O9 S -","- C21 H18 N4 O9 S -","- C42 H36 N8 O18 S2 -","2","1","","Félix-Sonda, Brenda C.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Nitazoxanide Cocrystals in Combination with Succinic, Glutaric, and 2,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2014","14","3","1086","","10.1021/cg4015916","","","0.71073","MoKα","","0.1062","0.0657","","","0.1183","0.1328","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510205","16.77","0.005","5.0216","0.0015","23.582","0.008","90","","128.077","0.006","90","","1563.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N3 O7 S -","- C14 H12 N3 O7 S -","- C56 H48 N12 O28 S4 -","4","1","","Félix-Sonda, Brenda C.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Nitazoxanide Cocrystals in Combination with Succinic, Glutaric, and 2,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2014","14","3","1086","","10.1021/cg4015916","","","0.71073","MoKα","","0.1079","0.0743","","","0.1494","0.1658","","","","","","1.085","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510206","12.37","0.004","5.0586","0.0015","31.715","0.009","90","","94.495","0.006","90","","1978.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 O9 S -","- C17 H17 N3 O9 S -","- C68 H68 N12 O36 S4 -","4","1","","Félix-Sonda, Brenda C.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Nitazoxanide Cocrystals in Combination with Succinic, Glutaric, and 2,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2014","14","3","1086","","10.1021/cg4015916","","","0.71073","MoKα","","0.1026","0.0699","","","0.1459","0.1637","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510207","5.7193","0.0001","9.5627","0.0002","20.9579","0.0005","90","","90","","90","","1146.23","0.04","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 Se -","- C12 H13 N3 Se -","- C48 H52 N12 Se4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0266","0.0242","","","0.0309","0.0313","","","","1.66","1.66","1.62","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510208","7.1809","0.0003","10.2986","0.0005","15.768","0.0008","90","","90","","90","","1166.09","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C48 H52 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0348","0.0268","","","0.0285","0.029","","","","1.62","1.62","1.53","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510209","7.9302","0.0011","17.223","0.002","10.8814","0.0014","90","","94.771","0.007","90","","1481.1","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 S -","- C15 H19 N3 S -","- C60 H76 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.1072","0.0445","","","0.0446","0.0489","","","","1.68","1.68","1.33","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510210","5.9338","0.0002","7.3798","0.0002","13.2891","0.0004","99.4247","0.0011","93.1907","0.0012","92.2136","0.0012","572.51","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C24 H26 N6 S2 -","2","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0433","0.0329","","","0.0424","0.0434","","","","2.16","2.16","1.99","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510211","12.7982","0.0008","13.6159","0.0008","7.131","0.0004","90","","90","","90","","1242.64","0.13","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","","0.71073","MoKα","","0.0334","0.0288","","","0.0367","0.037","","","","2","2","1.92","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510212","4.7643","0.0015","15.968","0.006","16.294","0.006","90","","90","","90","","1239.6","0.8","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C52 H60 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0371","0.0287","","","0.0602","0.0622","","","","1.63","1.63","1.57","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510213","10.0699","0.0006","10.4586","0.0006","12.3674","0.0007","90","","98.777","0.002","90","","1287.25","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C52 H60 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.051","0.0376","","","0.0468","0.0479","","","","2.54","2.54","2.3","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510214","5.7944","0.0006","23.318","0.002","9.1374","0.0009","90","","97.601","0.004","90","","1223.7","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","","0.71073","MoKα","","0.0484","0.0409","","","0.055","0.0559","","","","3.03","3.03","2.87","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510215","17.6465","0.0009","5.0684","0.0003","14.7768","0.0008","90","","112.225","0.002","90","","1223.44","0.12","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C52 H60 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0239","0.0225","","","0.0302","0.0303","","","","1.74","1.74","1.71","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510216","27.934","0.002","27.934","0.002","41.081","0.004","90","","90","","90","","32056","5","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C35.08 H53.26 Cu3 N10 O27.55 S2.54 -","- C34.23 H12 Cu3 N10 O27.5071 S2.4835 -","- C547.68 H192 Cu48 N160 O440.114 S39.736 -","16","1","","Luebke, Ryan; Weseliński, Łukasz J.; Belmabkhout, Youssef; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Microporous Heptazine Functionalized (3,24)-Connectedrht-Metal‒Organic Framework: Synthesis, Structure, and Gas Sorption Analysis","Crystal Growth & Design","2014","14","2","414","","10.1021/cg401802s","","","1.54178","CuKα","","0.0848","0.0772","","","0.2283","0.2405","","","","","","1.076","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510223","22.348","0.005","13.357","0.003","15.002","0.003","90","","97.35","0.03","90","","4441.3","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 Eu2 N7 O18 -","- C30 H34 Eu2 N6 O18 -","- C120 H136 Eu8 N24 O72 -","4","0.5","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0673","0.0506","","","0.1402","0.1489","","","","","","1.066","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510224","22.214","0.004","13.407","0.003","14.781","0.003","90","","97.2","0.03","90","","4367.4","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 N7 O18 Tb2 -","- C30 H34 N6 O18 Tb2 -","- C120 H136 N24 O72 Tb8 -","4","0.5","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0465","0.0432","","","0.1245","0.1272","","","","","","1.096","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510225","22.228","0.004","13.257","0.003","14.639","0.003","90","","97.07","0.03","90","","4281","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 Er2 N7 O18 -","- C30 H34 Er2 N6 O18 -","- C120 H136 Er8 N24 O72 -","4","0.5","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0715","0.0482","","","0.1245","0.135","","","","","","0.984","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510226","27.918","0.006","9.2881","0.0019","21.422","0.004","90","","118.07","0.03","90","","4901","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H35.5 N6.5 O20 Yb2 -","- C30 H34 N6.5 O20 Yb2 -","- C120 H136 N26 O80 Yb8 -","4","0.5","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0497","0.0404","","","0.1085","0.1116","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510227","14.558","0.003","18.271","0.004","21.899","0.004","90","","112.12","0.03","90","","5396","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H44.5 Eu2 N3.5 O22.5 -","- C39 H12 Eu2 N O18 -","- C156 H48 Eu8 N4 O72 -","4","1","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0554","0.0496","","","0.1314","0.1337","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510228","8.1555","0.0005","9.7034","0.0006","18.2534","0.0012","92.894","0.005","99.124","0.005","91.71","0.005","1423.36","0.16","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H42 N4 O -","- C31 H42 N4 O -","- C62 H84 N8 O2 -","2","1","","Durga Prasad, Karothu; Venkataramaiah, N.; Guru Row, Tayur N.","1,9-Pyrazoloanthrone as a Colorimetric and “Turn-On” Fluorometric Chemosensor: Structural Implications","Crystal Growth & Design","2014","14","5","2118","","10.1021/cg5002489","","","0.71073","MoKα","","0.1352","0.0958","","","0.2769","0.3048","","","","","","1.259","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510229","14.947","0.0013","14.947","0.0013","3.8185","0.0003","90","","90","","120","","738.81","0.11","120","2","120.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C42 H24 N6 O3 -","3","0.5","","Durga Prasad, Karothu; Venkataramaiah, N.; Guru Row, Tayur N.","1,9-Pyrazoloanthrone as a Colorimetric and “Turn-On” Fluorometric Chemosensor: Structural Implications","Crystal Growth & Design","2014","14","5","2118","","10.1021/cg5002489","","","0.71073","MoKα","","0.1385","0.0967","","","0.196","0.2182","","","","","","1.071","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510230","8.143","0.0004","9.6781","0.0003","18.2591","0.0007","92.727","0.003","98.895","0.003","92.061","0.003","1418.69","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 F N3 O2 -","- C30 H42 F N2.98 O2 -","- C60 H84 F2 N5.96 O4 -","2","1","","Durga Prasad, Karothu; Venkataramaiah, N.; Guru Row, Tayur N.","1,9-Pyrazoloanthrone as a Colorimetric and “Turn-On” Fluorometric Chemosensor: Structural Implications","Crystal Growth & Design","2014","14","5","2118","","10.1021/cg5002489","","","0.71073","MoKα","","0.1872","0.1033","","","0.2371","0.2997","","","","","","1.045","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510231","20.383","0.004","22.674","0.005","23.215","0.005","90","","90","","90","","10729","4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C32 H30 Co3 N6 O15 -","- C26 H16 Co3 N4 O13 -","- C208 H128 Co24 N32 O104 -","8","1","","Wang, Jing; Luo, Jiahuan; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two Flexible Metal‒Organic Frameworks with Stepwise Gas Adsorption and Highly Selective CO2Adsorption","Crystal Growth & Design","2014","14","5","2375","","10.1021/cg500091k","","","0.71073","MoKα","","0.0937","0.0767","","","0.1943","0.2062","","","","","","1.069","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510232","15.3019","0.0004","15.3019","0.0004","23.1993","0.0009","90","","90","","90","","5432.1","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C29 H23 N5 O14 Zn3 -","- C26 H14 N4 O12 Zn3 -","- C104 H56 N16 O48 Zn12 -","4","0.5","","Wang, Jing; Luo, Jiahuan; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two Flexible Metal‒Organic Frameworks with Stepwise Gas Adsorption and Highly Selective CO2Adsorption","Crystal Growth & Design","2014","14","5","2375","","10.1021/cg500091k","","","0.71073","MoKα","","0.0793","0.0583","","","0.1579","0.1714","","","","","","1.051","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510233","9.2309","0.0008","9.2309","0.0008","9.5945","0.0014","90","","90","","90","","817.54","0.16","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection","Crystal Growth & Design","2014","14","5","2401","","10.1021/cg5001446","","","0.71073","MoKα","","0.0425","0.0376","","","0.0487","0.0494","","","","","","1.419","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510234","9.2288","0.0004","9.2288","0.0004","9.6054","0.0006","90","","90","","90","","818.1","0.07","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection","Crystal Growth & Design","2014","14","5","2401","","10.1021/cg5001446","","","0.71073","MoKα","","0.0401","0.0315","","","0.0599","0.062","","","","","","1.211","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510235","9.2323","0.0006","9.2323","0.0006","9.6015","0.0011","90","","90","","90","","818.39","0.12","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection","Crystal Growth & Design","2014","14","5","2401","","10.1021/cg5001446","","","0.71073","MoKα","","0.048","0.0394","","","0.066","0.0684","","","","","","1.176","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510236","24.603","0.0014","13.189","0.0005","20.222","0.0013","90","","124.366","0.009","90","","5416.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 Cd3 N4 O29 -","- C46 H42 Cd3 N4 O29 -","- C184 H168 Cd12 N16 O116 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71069","MoKα","","0.085","0.0495","","","0.1142","0.1319","","","","","","1.054","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510237","24.492","0.004","13.0355","0.0014","20.31","0.003","90","","124.676","0.004","90","","5332.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H70 Mn3 N4 O30 -","- C46 H66 Mn3 N4 O30 -","- C184 H264 Mn12 N16 O120 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.1858","0.0788","","","0.1409","0.1702","","","","","","1.182","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510238","24.011","0.002","13.1094","0.0008","20.548","0.002","90","","124.399","0.015","90","","5336.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H66 N4 O28 Zn3 -","- C46 H62 N4 O28 Zn3 -","- C184 H248 N16 O112 Zn12 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.1501","0.0805","","","0.1578","0.1898","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510239","23.792","0.002","13.0153","0.0005","20.729","0.002","90","","123.785","0.013","90","","5335","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H65.5 Co3 N4 O27.75 -","- C46 H58 Co3 N4 O27.76 -","- C184 H232 Co12 N16 O111.04 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.138","0.0892","","","0.1607","0.1843","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510240","24.104","0.002","13.054","0.0009","21.009","0.0016","90","","124.662","0.01","90","","5437.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H71 Fe3 N4 O30.5 -","- C46 H42 Fe3 N4 O30.5 -","- C184 H168 Fe12 N16 O122 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71069","MoKα","","0.1181","0.0707","","","0.1339","0.1555","","","","","","0.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510241","10.975","0.0006","14.548","0.0007","16.063","0.0009","81.074","0.005","86.503","0.005","86.458","0.004","2525.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H160 Co3 N16 O21 -","- C94 H150 Co3 N16 O21 -","- C94 H150 Co3 N16 O21 -","1","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.1113","0.0644","","","0.1482","0.1745","","","","","","1.019","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510242","13.617","0.0006","14.3185","0.0005","18.6289","0.0007","88.841","0.003","69.413","0.004","79.69","0.003","3341.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H189 N20 Ni4 O18.5 -","- C110 H136 N20 Ni4 O18.5 -","- C110 H136 N20 Ni4 O18.5 -","1","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.2197","0.1071","","","0.1925","0.2268","","","","","","1.202","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510243","11.1977","0.0007","11.2936","0.0007","14.7885","0.0009","70.036","0.006","88.302","0.005","79.258","0.005","1725.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H102 N8 Ni3 O28 -","- C62 H94 N8 Ni3 O28 -","- C62 H94 N8 Ni3 O28 -","1","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.0697","0.0524","","","0.1398","0.153","","","","","","1.032","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510244","18.1","0.0005","23.3079","0.0007","29.0723","0.0011","90","","90","","90","","12264.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C110 H190 Cd4 N20 O19 -","- C110 H188 Cd4 N20 O19 -","- C440 H752 Cd16 N80 O76 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.0871","0.0426","","","0.0869","0.1029","","","","","","1.008","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510245","9.1765","0.0003","13.6017","0.0005","17.2551","0.0007","77.337","0.003","86.838","0.003","81.439","0.003","2077.35","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H120 Cu2 N12 O18 -","- C78 H106 Cu2 N12 O18 -","- C78 H106 Cu2 N12 O18 -","1","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.1408","0.0895","","","0.1777","0.2053","","","","","","0.975","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510246","18.6903","0.0007","31.1946","0.001","6.8692","0.0003","90","","90.094","0.003","90","","4005","0.3","571","2","571","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O9.5 S2 Yb -","- C19 H14 N2 O9.5 S2 Yb -","- C152 H112 N16 O76 S16 Yb8 -","8","2","","D’Vries, Richard F.; Snejko, Natalia; Iglesias, Marta; Gutiérrez-Puebla, Enrique; Monge, M. Angeles","Ln-MOF Pseudo-Merohedral Twinned Crystalline Family as Solvent-Free Heterogeneous Catalysts","Crystal Growth & Design","2014","14","5","2516","","10.1021/cg5002336","","","1.54178","CuKα","","0.0554","0.0457","","","0.1078","0.1138","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510247","11.54269","0.00008","22.41402","0.00014","25.84917","0.00016","90","","102.449","0.0007","90","","6530.4","0.08","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H53 Cu2 Ge N8 O44.5 W12 -","- C32 H44 Cu2 Ge N8 O44.5 W12 -","- C128 H176 Cu8 Ge4 N32 O178 W48 -","4","1","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","1.54184","CuKα","","0.0564","0.0554","","","0.1447","0.1456","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510248","11.46769","0.00014","22.5699","0.0003","25.3959","0.0003","90","","102.372","0.0013","90","","6420.43","0.14","423","2","423","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cu2 Ge N8 O40 W12 -","- C32 H44 Cu2 Ge N8 O40 W12 -","- C128 H176 Cu8 Ge4 N32 O160 W48 -","4","1","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","0.71073","MoKα","","0.0652","0.0444","","","0.0922","0.1065","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510249","11.0268","0.0003","12.1249","0.0003","24.7245","0.0006","90","","96.305","0.002","90","","3285.64","0.15","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Cu2 Ge N8 O45 W12 -","- C34 H48 Cu2 Ge N8 O45 W12 -","- C68 H96 Cu4 Ge2 N16 O90 W24 -","2","0.5","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","0.71073","MoKα","","0.0477","0.0426","","","0.0839","0.0859","","","","","","1.218","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510250","10.8619","0.0002","11.9467","0.0002","24.0621","0.0005","90","","97.9366","0.0018","90","","3092.48","0.1","423","2","423","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Cu2 Ge N8 O40 W12 -","- C34 H48 Cu2 Ge N8 O40 W12 -","- C68 H96 Cu4 Ge2 N16 O80 W24 -","2","0.5","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","1.54184","CuKα","","0.0595","0.0548","","","0.1291","0.1321","","","","","","1.174","","","","has coordinates,has disorder","301843","2025-08-21","01:58:35",""
"4510251","12.7695","0.0002","13.0603","0.0003","21.2588","0.0005","79.433","0.002","78.0316","0.0018","76.0427","0.0018","3332.56","0.13","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C34 H66 Cu2 Ge N8 O49 W12 -","- C22.655 H30.786 Cu2 Ge N5.508 O40.377 W12 -","- C45.31 H61.572 Cu4 Ge2 N11.016 O80.754 W24 -","2","1","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","1.54184","CuKα","","0.0819","0.0704","","","0.1968","0.22","","","","","","1.025","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510254","7.427","0.007","10.722","0.01","12.41","0.012","69.156","0.01","77.224","0.011","85.238","0.01","900.7","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Hg Mn N4 S5 Sb2 -","- C6 H18 Hg Mn N4 S5 Sb2 -","- C12 H36 Hg2 Mn2 N8 S10 Sb4 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0648","0.0472","","","0.1182","0.1288","","","","","","1.001","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510255","7.3778","0.0004","10.5551","0.0006","12.3071","0.0007","69.629","0.001","77.739","0.001","85.723","0.001","877.96","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Co Hg N4 S5 Sb2 -","- C6 H18 Co Hg N4 S5 Sb2 -","- C12 H36 Co2 Hg2 N8 S10 Sb4 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0266","0.0243","","","0.0648","0.0658","","","","","","1.094","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510256","7.3752","0.0006","10.5561","0.0009","12.3004","0.001","69.677","0.001","77.707","0.001","85.802","0.001","877.42","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Fe Hg N4 S5 Sb2 -","- C6 H18 Fe Hg N4 S5 Sb2 -","- C12 H36 Fe2 Hg2 N8 S10 Sb4 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0353","0.0293","","","0.073","0.0754","","","","","","1.04","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510257","11.659","0.002","9.9546","0.0017","14.011","0.003","90","","109.313","0.002","90","","1534.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Hg3 N6 Ni S10 Sb4 -","- C8 H26 Hg3 N6 Ni S10 Sb4 -","- C16 H52 Hg6 N12 Ni2 S20 Sb8 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0268","0.0209","","","0.048","0.0709","","","","","","1.079","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510258","19.907","0.012","7.773","0.005","14.779","0.009","90","","106.6","0.006","90","","2192","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 Co Hg2 N6 S6 Sb2 -","- C6 H24 Co Hg2 N6 S6 Sb2 -","- C24 H96 Co4 Hg8 N24 S24 Sb8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0338","0.0278","","","0.0702","0.0839","","","","","","1.098","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510259","11.7163","0.0011","9.9621","0.0009","14.0344","0.0013","90","","109.494","0.001","90","","1544.2","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Co Hg3 N6 S10 Sb4 -","- C8 H26 Co Hg3 N6 S10 Sb4 -","- C16 H52 Co2 Hg6 N12 S20 Sb8 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.029","0.0233","","","0.0535","0.0724","","","","","","1.085","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510260","14.986","0.006","15.072","0.006","20.514","0.008","90","","104.094","0.005","90","","4494","3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H60 Cl Hg N12 Ni2 S7 Sb3 -","- C18 H60 Cl Hg N12 Ni2 S7 Sb3 -","- C72 H240 Cl4 Hg4 N48 Ni8 S28 Sb12 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.1176","0.0504","","","0.1034","0.1268","","","","","","1.008","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510261","11.4087","0.0012","13.2919","0.0014","18.9376","0.0015","90","","118.878","0.004","90","","2514.7","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H30 Hg N6 Ni S5 Sb2 -","- C9 H30 Hg N6 Ni S5 Sb2 -","- C36 H120 Hg4 N24 Ni4 S20 Sb8 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0496","0.0348","","","0.0903","0.0973","","","","","","1.026","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510262","11.7218","0.0018","9.9484","0.0015","14.02","0.002","90","","109.557","0.002","90","","1540.6","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Hg3 Mn N6 S10 Sb4 -","- C8 H26 Hg3 Mn N6 S10 Sb4 -","- C16 H52 Hg6 Mn2 N12 S20 Sb8 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0253","0.022","","","0.0633","0.065","","","","","","1.025","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510263","10.709","0.004","20.74","0.008","10.786","0.004","90","","114.641","0.004","90","","2177.5","1.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Hg Mn N6 S5 Sb2 -","- C8 H26 Hg Mn N6 S5 Sb2 -","- C32 H104 Hg4 Mn4 N24 S20 Sb8 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.045","0.0309","","","0.0718","0.0774","","","","","","1.016","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510264","7.771","0.002","9.8","0.002","15.1018","0.0013","90","","90.328","0.014","90","","1150.1","0.4","296","2","296","2","2160000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dabcoHClO4 methanol cocrystal","1,4-diazabicyclo[2.2.2]octane perchlorate methanol cocrystal","","- C8 H21 Cl N2 O6 -","- C8 H21 Cl N2 O6 -","- C32 H84 Cl4 N8 O24 -","4","1","","Anioła, Michalina; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol","Crystal Growth & Design","2014","14","5","2187","","10.1021/cg4016959","","","0.71073","MoKα","","0.1612","0.1077","","","0.2784","0.3269","","","","","","1.177","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510265","7.7762","0.0009","9.782","0.003","15.1099","0.0019","90","","90.463","0.01","90","","1149.3","0.4","296","2","296","2","2300000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dabcoHClO4 methanol cocrystal","1,4-diazabicyclo[2.2.2]octane perchlorate methanol cocrystal","","- C8 H21 Cl N2 O6 -","- C8 H21 Cl N2 O6 -","- C32 H84 Cl4 N8 O24 -","4","1","","Anioła, Michalina; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol","Crystal Growth & Design","2014","14","5","2187","","10.1021/cg4016959","","","0.71073","MoKα","","0.119","0.0817","","","0.2024","0.2279","","","","","","1.175","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510266","7.66","0.011","9.7348","0.0006","15.053","0.0008","90","","90.42","0.02","90","","1122.5","1.6","296","2","296","2","2400000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dabcoHClO4 methanol cocrystal","1,4-diazabicyclo[2.2.2]octane perchlorate methanol cocrystal","","- C8 H21 Cl N2 O6 -","- C8 H21 Cl N2 O6 -","- C32 H84 Cl4 N8 O24 -","4","1","","Anioła, Michalina; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol","Crystal Growth & Design","2014","14","5","2187","","10.1021/cg4016959","","","0.71073","MoKα","","0.0954","0.0776","","","0.1263","0.1335","","","","","","1.138","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510267","9.8166","0.0015","15.448","0.003","17.313","0.003","114.971","0.007","100.174","0.009","90.326","0.009","2333.1","0.7","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H66 N4 O5 -","- C48 H66 N4 O5 -","- C96 H132 N8 O10 -","2","1","","McKellar, Scott C.; Kennedy, Alan R.; McCloy, Neil C.; McBride, Eileen; Florence, Alastair J.","Formulation of Liquid Propofol as a Cocrystalline Solid","Crystal Growth & Design","2014","14","5","2422","","10.1021/cg500155p","","","0.71073","MoKα","","0.1869","0.0677","","","0.1544","0.2092","","","","","","0.982","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510268","9.8183","0.0004","15.427","0.0006","46.7832","0.0017","81.262","0.003","88.059","0.003","89.925","0.003","6999.8","0.5","218","2","218","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H66 N4 O5 -","- C48 H66 N4 O5 -","- C288 H396 N24 O30 -","6","3","","McKellar, Scott C.; Kennedy, Alan R.; McCloy, Neil C.; McBride, Eileen; Florence, Alastair J.","Formulation of Liquid Propofol as a Cocrystalline Solid","Crystal Growth & Design","2014","14","5","2422","","10.1021/cg500155p","","","1.5418","CuKα","","0.1394","0.0736","","","0.2009","0.2768","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510269","9.7937","0.0003","15.2747","0.0005","31.0802","0.001","90","","98.472","0.003","90","","4598.7","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 N4 O5 -","- C48 H66 N4 O5 -","- C192 H264 N16 O20 -","4","1","","McKellar, Scott C.; Kennedy, Alan R.; McCloy, Neil C.; McBride, Eileen; Florence, Alastair J.","Formulation of Liquid Propofol as a Cocrystalline Solid","Crystal Growth & Design","2014","14","5","2422","","10.1021/cg500155p","","","0.71073","MoKα","","0.1752","0.0536","","","0.1152","0.1369","","","","","","0.723","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510271","6.3131","0.0003","8.0821","0.0005","20.8006","0.0012","90","","90","","90","","1061.31","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O5 Zn -","- C10 H10 O5 Zn -","- C40 H40 O20 Zn4 -","4","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.0261","0.0261","","","0.0957","0.0957","","","","","","0.991","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510272","11.6251","0.0009","12.2299","0.0011","15.6845","0.0013","90","","109.713","0.004","90","","2099.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cd N2 O8 -","- C20 H24 Cd N2 O8 -","- C80 H96 Cd4 N8 O32 -","4","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.0538","0.0532","","","0.1572","0.1578","","","","","","1.128","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510273","14.5663","0.0006","13.4855","0.0005","24.6581","0.0014","90","","94.734","0.002","90","","4827.2","0.4","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H18 Cu N4 O4 -","- C22 H18 Cu N4 O4 -","- C176 H144 Cu8 N32 O32 -","8","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.0826","0.0621","","","0.1422","0.1491","","","","","","1.152","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510274","23.6532","0.0009","16.1209","0.0006","13.6472","0.0005","90","","97.159","0.001","90","","5163.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cd2 N8 O8 -","- C44 H36 Cd2 N8 O8 -","- C176 H144 Cd8 N32 O32 -","4","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.1048","0.0924","","","0.2303","0.2376","","","","","","1.149","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510275","19.418","0.003","19.418","0.003","25.392","0.004","90","","90","","90","","9574","3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 Cu N8 O4 P2 -","- C20 H20 Cu N8 O4 P2 -","- C320 H320 Cu16 N128 O64 P32 -","16","0.5","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0375","0.0283","","","0.0771","0.0856","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510276","13.158","0.008","14.942","0.009","16.667","0.01","90","","90","","90","","3277","3","296","2","296","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C26 H42 Cu N10 O10 P2 -","- C26 H34 Cu N10 O10 P2 -","- C104 H136 Cu4 N40 O40 P8 -","4","0.25","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0623","0.058","","","0.1657","0.1683","","","","","","1.163","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510277","13.158","0.008","14.942","0.009","16.667","0.01","90","","90","","90","","3277","3","100","2","100","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C20 H24 Cu N8 O6 P2 -","- C20 H24 Cu N8 O6 P2 -","- C80 H96 Cu4 N32 O24 P8 -","4","0.25","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0434","0.0396","","","0.108","0.1096","","","","","","1.129","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510278","13.4495","0.0014","15.0521","0.0016","16.6729","0.0017","90","","90","","90","","3375.3","0.6","100","2","100","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C20 H22 Cu N8 O6 P2 -","- C20 H24 Cu N8 O6 P2 -","- C80 H96 Cu4 N32 O24 P8 -","4","0.25","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0878","0.0862","","","0.1832","0.1838","","","","","","1.201","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4510279","11.08","0.0003","10.0088","0.0003","14.0334","0.0004","90","","90.584","0.002","90","","1556.19","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cu N10 O6 P2 -","- C26 H34 Cu N10 O6 P2 -","- C52 H68 Cu2 N20 O12 P4 -","2","0.5","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0502","0.0358","","","0.0943","0.1027","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510280","11.6307","0.0015","19.702","0.002","15.3466","0.0019","90","","110.414","0.003","90","","3295.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H65 Cu2 N21 O11 P4 -","- C53 H65 Cu2 N21 O11 P4 -","- C106 H130 Cu4 N42 O22 P8 -","2","0.5","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0791","0.0469","","","0.1076","0.1239","","","","","","1.035","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510282","7.3792","0.0008","9.4077","0.001","14.9887","0.0016","79.44","0.004","81.526","0.004","88.573","0.004","1011.74","0.19","97","2","97","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O8 -","- C22 H24 N2 O8 -","- C44 H48 N4 O16 -","2","1","","Grecu, Tudor; Adams, Harry; Hunter, Christopher A.; McCabe, James F.; Portell, Anna; Prohens, Rafel","Virtual Screening Identifies New Cocrystals of Nalidixic Acid","Crystal Growth & Design","2014","14","4","1749","","10.1021/cg401889h","","","0.71073","MoKα","","0.0642","0.0423","","","0.1137","0.132","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510283","6.9991","0.0014","12.106","0.002","13.199","0.003","96.07","0.03","103.76","0.03","106.11","0.03","1025.8","0.4","97","2","97","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C44 H52 N4 O10 -","2","1","","Grecu, Tudor; Adams, Harry; Hunter, Christopher A.; McCabe, James F.; Portell, Anna; Prohens, Rafel","Virtual Screening Identifies New Cocrystals of Nalidixic Acid","Crystal Growth & Design","2014","14","4","1749","","10.1021/cg401889h","","","0.71073","MoKα","","0.0492","0.0374","","","0.1083","0.1224","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510284","13.2492","0.0002","10.8238","0.00014","8.37998","0.0001","96.0718","0.0008","93.5031","0.0011","91.5041","0.001","1192.12","0.03","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N4 O3 -","- C28 H26 N4 O3 -","- C56 H52 N8 O6 -","2","1","","Grecu, Tudor; Adams, Harry; Hunter, Christopher A.; McCabe, James F.; Portell, Anna; Prohens, Rafel","Virtual Screening Identifies New Cocrystals of Nalidixic Acid","Crystal Growth & Design","2014","14","4","1749","","10.1021/cg401889h","powder diffraction","","1.54175","CuKα","","","","","","","","","3.9217","3.74","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510285","19.3678","0.0002","13.85573","0.0001","7.72653","0.00005","90","","95.03","0.0007","90","","2065.47","0.03","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Grecu, Tudor; Adams, Harry; Hunter, Christopher A.; McCabe, James F.; Portell, Anna; Prohens, Rafel","Virtual Screening Identifies New Cocrystals of Nalidixic Acid","Crystal Growth & Design","2014","14","4","1749","","10.1021/cg401889h","powder diffraction","","1.5418","CuKα","","","","","","","","","5.1593","6","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510286","10.1658","0.0008","17.0109","0.0012","19.4946","0.0012","85.379","0.008","84.001","0.008","73.599","0.008","3211.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Fe N6 S2 -","- C30 H36 Fe N6 S2 -","- C120 H144 Fe4 N24 S8 -","4","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0715","0.0434","","","0.1076","0.1188","","","","","","0.981","","","","has coordinates,has disorder","301843","2025-08-21","01:58:35",""
"4510287","9.8148","0.0003","16.9806","0.0007","20.0807","0.0006","90","","99.849","0.002","90","","3297.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Mn N6 S2 -","- C30 H36 Mn N6 S2 -","- C120 H144 Mn4 N24 S8 -","4","1","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0853","0.0663","","","0.1545","0.1656","","","","","","1.128","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510288","10.3881","0.0004","16.3106","0.0007","20.1423","0.0008","91.552","0.003","90.799","0.003","102.835","0.003","3325.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Fe N6 S2 -","- C30 H36 Fe N6 S2 -","- C120 H144 Fe4 N24 S8 -","4","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.1201","0.0777","","","0.1961","0.2237","","","","","","1.061","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510289","8.9684","0.0006","10.677","0.0007","10.956","0.0007","67.46","0.005","67.36","0.005","83.94","0.005","893.21","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C32 H36 N8 Ni2 S4 -","2","1","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0921","0.0516","","","0.1194","0.1351","","","","","","1.04","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510290","11.1707","0.0008","39.5124","0.0019","9.133","0.0007","90","","115.2","0.008","90","","3647.5","0.5","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C128 H144 N32 Ni8 S16 -","8","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0477","0.0383","","","0.1002","0.1043","","","","","","1.037","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510291","5.7737","0.0004","18.3907","0.001","8.5647","0.0006","90","","96.165","0.008","90","","904.16","0.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Mn N4 S2 -","- C16 H18 Mn N4 S2 -","- C32 H36 Mn2 N8 S4 -","2","0.5","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0375","0.0303","","","0.0754","0.0779","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510292","11.8301","0.0005","16.4075","0.0008","18.6847","0.0008","72.304","0.003","75.684","0.004","77.015","0.004","3303.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Mn N6 S2 -","- C30 H36 Mn N6 S2 -","- C120 H144 Mn4 N24 S8 -","4","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0904","0.0605","","","0.1519","0.1688","","","","","","1.043","","","","has coordinates,has disorder","301843","2025-08-21","01:58:35",""
"4510293","11.0253","0.0007","12.8112","0.0007","7.6416","0.0005","90","","107.476","0.007","90","","1029.54","0.12","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Mn N4 O2 S2 -","- C16 H22 Mn N4 O2 S2 -","- C32 H44 Mn2 N8 O4 S4 -","2","0.5","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0523","0.0426","","","0.1112","0.1174","","","","","","1.04","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510294","11.009","0.001","12.165","0.0009","23.177","0.002","94.727","0.01","95.591","0.011","110.903","0.009","2862.9","0.5","170","2","170","2","","","","","","","","4","P -1","-P 1","2","C2C12imBr","1-Ethyl-3-Dodecylimidazolium bromide","","- C17 H33 Br N2 -","- C17 H33 Br N2 -","- C102 H198 Br6 N12 -","6","3","","Yang, Mei; Mallick, Bert; Mudring, Anja-Verena","A Systematic Study on the Mesomorphic Behavior of Asymmetrical 1-Alkyl-3-dodecylimidazolium Bromides","Crystal Growth & Design","2014","14","4","1561","","10.1021/cg401396n","","","0.71073","MoKα","","0.0554","0.0293","","","0.0563","0.0599","","","","","","0.785","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510295","12.246","0.002","12.25","0.003","34.687","0.007","90","","90.55","0.03","90","","5203.3","1.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H30 S2 Si2 -","- C26 H30 S2 Si2 -","- C208 H240 S16 Si16 -","8","2","","Postnikov, Valery A.; Odarchenko, Yaroslav I.; Iovlev, Alexander V.; Bruevich, Vladimir V.; Pereverzev, Alexander Yu.; Kudryashova, Ludmila G.; Sobornov, Vladimir V.; Vidal, Loïc; Chernyshov, Dmitry; Luponosov, Yuriy N.; Borshchev, Oleg V.; Surin, Nikolay M.; Ponomarenko, Sergei A.; Ivanov, Dimitri A.; Paraschuk, Dmitry Yu.","Molecularly Smooth Single-Crystalline Films of Thiophene–Phenylene Co-Oligomers Grown at the Gas–Liquid Interface","Crystal Growth & Design","2014","14","4","1726","","10.1021/cg401876a","","","0.69411","synchrotron","","0.0749","0.0606","","","0.1727","0.1839","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510296","5.7908","0.0001","7.2544","0.0002","35.8193","0.0009","90","0.003","94.256","0.002","90","0.002","1500.58","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F2 S2 -","- C20 H12 F2 S2 -","- C80 H48 F8 S8 -","4","1","","Postnikov, Valery A.; Odarchenko, Yaroslav I.; Iovlev, Alexander V.; Bruevich, Vladimir V.; Pereverzev, Alexander Yu.; Kudryashova, Ludmila G.; Sobornov, Vladimir V.; Vidal, Loïc; Chernyshov, Dmitry; Luponosov, Yuriy N.; Borshchev, Oleg V.; Surin, Nikolay M.; Ponomarenko, Sergei A.; Ivanov, Dimitri A.; Paraschuk, Dmitry Yu.","Molecularly Smooth Single-Crystalline Films of Thiophene–Phenylene Co-Oligomers Grown at the Gas–Liquid Interface","Crystal Growth & Design","2014","14","4","1726","","10.1021/cg401876a","","","0.69412","synchrotron","","0.0663","0.0611","","","0.1981","0.2005","","","","","","1.106","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510297","32.4383","0.0011","16.1532","0.0004","14.8332","0.0008","90","","107.194","0.003","90","","7425","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H84 Ag3 N15 O24 -","- C60 H84 Ag3 N15 O24 -","- C240 H336 Ag12 N60 O96 -","4","0.5","","Kim, Euni; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Suprachannels via a Molecular Array of 2D Networks: Solvent Effects, Anion Exchange, and Physicochemical Properties of Silver(I) Complexes BearingN,N′,N″-Tris(2-pyridinylethyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2014","14","4","1888","","10.1021/cg500025k","","","0.71073","MoKα","","0.1147","0.1016","","","0.3011","0.3152","","","","","","1.282","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510298","33.154","0.0005","16.0516","0.0002","14.9568","0.0002","90","","108.308","0.001","90","","7556.73","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H88 Ag3 N15 O25 -","- C64 H88 Ag3 N15 O25 -","- C256 H352 Ag12 N60 O100 -","4","0.5","","Kim, Euni; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Suprachannels via a Molecular Array of 2D Networks: Solvent Effects, Anion Exchange, and Physicochemical Properties of Silver(I) Complexes BearingN,N′,N″-Tris(2-pyridinylethyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2014","14","4","1888","","10.1021/cg500025k","","","0.71073","MoKα","","0.0876","0.0747","","","0.2233","0.241","","","","","","1.031","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510299","14.1583","0.0002","27.6117","0.0003","9.6431","0.0001","90","","94.526","0.001","90","","3758.07","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H72 Ag3 N15 O19 -","- C62 H72 Ag3 N15 O19 -","- C124 H144 Ag6 N30 O38 -","2","0.5","","Kim, Euni; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Suprachannels via a Molecular Array of 2D Networks: Solvent Effects, Anion Exchange, and Physicochemical Properties of Silver(I) Complexes BearingN,N′,N″-Tris(2-pyridinylethyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2014","14","4","1888","","10.1021/cg500025k","","","0.71073","MoKα","","0.13","0.0811","","","0.2432","0.2846","","","","","","1.028","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510300","12.867","0.015","9.93","0.012","8.001","0.009","90","","90","","90","","1022","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","K1.7Na1.3B6O10Br","","","- B6 Br K1.7 Na1.3 O10 -","- B6 Br K1.697 Na1.303 O10 -","- B24 Br4 K6.788 Na5.212 O40 -","4","0.5","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0667","0.0447","","","0.1018","0.1171","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510301","12.818","0.003","10.041","0.002","7.5413","0.0019","90","","90","","90","","970.6","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","K0.80Na2.20B6O10Br","","","- B6 Br K0.8 Na2.2 O10 -","- B6 Br K0.801 Na2.199 O10 -","- B24 Br4 K3.204 Na8.796 O40 -","4","0.5","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0534","0.0387","","","0.1144","0.142","","","","","","1.154","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510302","10.071","0.003","10.071","0.003","8.824","0.004","90","","90","","120","","775.1","0.5","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","K2.87Na0.13B6O10Br","","","- B6 Br K2.87 Na0.13 O10 -","- B6 Br K2.874 Na0.126 O10 -","- B18 Br3 K8.622 Na0.378 O30 -","3","0.166667","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0453","0.0424","","","0.0981","0.1002","","","","","","1.091","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510303","10.05","0.002","10.05","0.002","8.816","0.004","90","","90","","120","","771.1","0.4","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","K2.33Na0.67B6O10Br","","","- B6 Br K2.33 Na0.67 O10 -","- B6 Br K2.322 Na0.678 O10 -","- B18 Br3 K6.966 Na2.034 O30 -","3","0.166667","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0206","0.0197","","","0.0474","0.0476","","","","","","0.992","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510304","11.2209","0.0004","10.0203","0.0004","18.7351","0.0008","90","","90","","90","","2106.51","0.14","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510305","11.2187","0.0002","10.0056","0.0002","18.73","0.0004","90","","90","","90","","2102.44","0.07","275","2","275","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510306","11.20949","0.00018","9.98321","0.00018","18.7137","0.0003","90","","90","","90","","2094.19","0.06","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510307","11.20324","0.00019","9.96483","0.00018","18.7053","0.0004","90","","90","","90","","2088.23","0.07","225","2","225","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510308","11.1927","0.0003","9.9481","0.0003","18.6989","0.0007","90.406","0.003","90","","90","","2082","0.11","200","2","200","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510309","11.1828","0.0004","9.9261","0.0005","18.6889","0.001","90.679","0.005","90","","90","","2074.35","0.17","175","2","175","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510310","11.1763","0.0004","9.915","0.0006","18.6822","0.0011","90.912","0.006","90","","90","","2069.97","0.19","150","2","150","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510311","11.1668","0.0004","9.8988","0.0005","18.6714","0.001","91.313","0.005","90","","90","","2063.36","0.17","125","2","125","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510312","11.1619","0.0004","9.887","0.0004","18.6616","0.001","91.493","0.004","90","","90","","2058.75","0.16","100","2","100","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510313","5.4525","0.0005","19.9258","0.0012","9.8027","0.0009","90","","91.76","0.007","90","","1064.52","0.15","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510314","5.434","0.0005","19.9056","0.0012","9.7935","0.0009","90","","91.884","0.007","90","","1058.76","0.15","275","2","275","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510315","5.4179","0.0004","19.8855","0.0012","9.7869","0.0008","90","","91.958","0.007","90","","1053.8","0.13","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510316","5.403","0.0004","19.8661","0.0011","9.7808","0.0008","90","","92.048","0.006","90","","1049.17","0.13","225","2","225","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510317","5.3874","0.0004","19.8354","0.0011","9.7721","0.0007","90","","92.1","0.006","90","","1043.56","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510318","5.3738","0.0004","19.8094","0.001","9.7661","0.0007","90","","92.152","0.006","90","","1038.89","0.12","175","2","175","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510319","5.3615","0.0004","19.7898","0.001","9.7622","0.0007","90","","92.201","0.006","90","","1035.03","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510320","5.3512","0.0004","19.7699","0.0009","9.7591","0.0006","90","","92.228","0.005","90","","1031.66","0.11","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510321","5.3412","0.0003","19.7534","0.0009","9.7538","0.0006","90","","92.255","0.005","90","","1028.3","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N–H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510322","8.4484","0.0006","10.3292","0.0007","13.6867","0.0009","90","","104.576","0.004","90","","1155.93","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 Co N5 O7 -","- C23 H27 Co N5 O7 -","- C46 H54 Co2 N10 O14 -","2","1","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","1572","","10.1021/cg401472k","","","0.71073","MoKα","","0.0623","0.0491","","","0.1167","0.1251","","","","","","1.02","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510323","8.4181","0.0002","10.3794","0.0002","13.6828","0.0003","90","","103.697","0.001","90","","1161.53","0.04","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H50 N10 O14 Zn2 -","- C46 H50 N10 O14 Zn2 -","- C46 H50 N10 O14 Zn2 -","1","0.5","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","1572","","10.1021/cg401472k","","","0.71073","MoKα","","0.0313","0.0286","","","0.081","0.0984","","","","","","1.275","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510324","8.4008","0.0009","10.3355","0.0011","13.677","0.0015","90","","103.716","0.008","90","","1153.7","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 Co N5 O7 -","- C23 H25 Co N5 O7 -","- C46 H50 Co2 N10 O14 -","2","1","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","1572","","10.1021/cg401472k","","","0.71073","MoKα","","0.1236","0.0755","","","0.1392","0.1581","","","","","","0.992","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510325","12.314","0.004","14.986","0.006","27.116","0.009","90","","106.765","0.013","90","","4791","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H9 N0 O11 Zn2 -","- C24 H9 O11 Zn2 -","- C96 H36 O44 Zn8 -","4","1","","Zhao, Nian; Sun, Fuxing; He, Hongming; Jia, Jiangtao; Zhu, Guangshan","Solvent-Induced Single Crystal To Single Crystal Transformation and Complete Metal Exchange of a Pyrene-Based Metal‒Organic Framework","Crystal Growth & Design","2014","14","4","1738","","10.1021/cg401887b","","","0.71073","MoKα","","0.0812","0.0559","","","0.1446","0.1532","","","","","","0.903","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510326","11.078","0.005","16.012","0.006","23.804","0.009","90","","95.333","0.009","90","","4204","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 O11 S Zn2 -","- C26 H15 O11 S Zn2 -","- C104 H60 O44 S4 Zn8 -","4","1","","Zhao, Nian; Sun, Fuxing; He, Hongming; Jia, Jiangtao; Zhu, Guangshan","Solvent-Induced Single Crystal To Single Crystal Transformation and Complete Metal Exchange of a Pyrene-Based Metal‒Organic Framework","Crystal Growth & Design","2014","14","4","1738","","10.1021/cg401887b","","","0.71073","MoKα","","0.1545","0.0769","","","0.2047","0.2297","","","","","","0.799","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510327","12.435","0.007","14.584","0.009","27.018","0.015","90","","107.87","0.02","90","","4663","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H0 Cu2 O11 -","- C24 H9 Cu2 O11 -","- C96 H36 Cu8 O44 -","4","1","","Zhao, Nian; Sun, Fuxing; He, Hongming; Jia, Jiangtao; Zhu, Guangshan","Solvent-Induced Single Crystal To Single Crystal Transformation and Complete Metal Exchange of a Pyrene-Based Metal‒Organic Framework","Crystal Growth & Design","2014","14","4","1738","","10.1021/cg401887b","","","0.71073","MoKα","","0.0881","0.0518","","","0.1204","0.129","","","","","","0.807","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510328","23.798","0.008","19.705","0.008","13.445","0.005","90","","112.564","0.008","90","","5822","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 N3 O7.5 Zn2 -","- C30 H19 N3 O7.5 Zn2 -","- C240 H152 N24 O60 Zn16 -","8","1","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0537","0.0402","","","0.1049","0.1118","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510329","12.1335","0.0011","7.9711","0.0007","20.3084","0.0019","90","","97.443","0.001","90","","1947.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Cl N3 O2 Zn -","- C22 H14 Cl N3 O2 Zn -","- C88 H56 Cl4 N12 O8 Zn4 -","4","1","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0408","0.0301","","","0.0727","0.0792","","","","","","1.035","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510330","12.5807","0.0016","9.3402","0.0012","19.104","0.003","90","","103.775","0.003","90","","2180.3","0.5","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C52 H34 N6 O9 Zn2 -","- C52 H34 N6 O9 Zn2 -","- C104 H68 N12 O18 Zn4 -","2","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0925","0.0531","","","0.1003","0.1159","","","","","","1.017","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510331","12.4642","0.0019","12.5823","0.0017","15.269","0.002","104.357","0.002","108.967","0.002","90.771","0.003","2182.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 N6 O8 Zn2 -","- C52 H32 N6 O8 Zn2 -","- C104 H64 N12 O16 Zn4 -","2","1","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.1129","0.0756","","","0.1281","0.1463","","","","","","1.046","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510332","11.605","0.002","12.34","0.002","14.606","0.004","99.002","0.003","96.346","0.004","116.734","0.002","1805.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H56 Cd2 N12 O9 -","- C88 H56 Cd2 N12 O9 -","- C88 H56 Cd2 N12 O9 -","1","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0375","0.0314","","","0.0709","0.0742","","","","","","1.035","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510333","14.896","0.003","9.8043","0.0017","17.559","0.003","90","","93.155","0.003","90","","2560.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H36 Cd3 N6 O12 -","- C60 H36 Cd3 N6 O12 -","- C120 H72 Cd6 N12 O24 -","2","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.105","0.0482","","","0.0889","0.108","","","","","","0.98","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510334","11.5711","0.0009","12.1705","0.0009","14.5802","0.0019","98.625","0.002","94.455","0.002","116.501","0.001","1792.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H56 N12 O10 Zn2 -","- C88 H56 N12 O10 Zn2 -","- C88 H56 N12 O10 Zn2 -","1","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0635","0.0462","","","0.1036","0.1129","","","","","","1.038","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510335","14.198","0.003","14.443","0.003","18.56","0.003","67.524","0.003","71.377","0.003","65.82","0.003","3147.9","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H86 N12 O39 Zn9 -","- C136 H86 N12 O39 Zn9 -","- C136 H86 N12 O39 Zn9 -","1","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0606","0.0421","","","0.0903","0.0998","","","","","","1.009","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510336","17.0836","0.0011","16.9192","0.0011","21.0915","0.0014","90","","110.954","0.004","90","","5693.1","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H50 N2 O21 Zn4 -","- C54 H45 N2 O21 Zn4 -","- C216 H180 N8 O84 Zn16 -","4","1","","Kim, Yeonga; Song, Jeong Hwa; Lee, Woo Ram; Phang, Won Ju; Lim, Kwang Soo; Hong, Chang Seop","Reversible Structural Flexibility and Sensing Properties of a Zn(II) Metal‒Organic Framework: Phase Transformation between Interpenetrating 3D Net and 2D Sheet","Crystal Growth & Design","2014","14","4","1933","","10.1021/cg500052v","","","0.71073","MoKα","","0.0766","0.0543","","","0.0912","0.0981","","","","","","1.025","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510337","14.05","0.002","20.156","0.003","20.378","0.003","90","","101.717","0.006","90","","5650.6","1.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Cd1.25 N2 O6 -","- C32 H20 Cd1.25 N2 O6 -","- C128 H80 Cd5 N8 O24 -","4","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Three Porphyrin-Encapsulating Metal‒Organic Materials with Ordered Metalloporphyrin Moieties","Crystal Growth & Design","2014","14","4","1526","","10.1021/cg500192d","","","1.54178","CuKα","","0.0958","0.0773","","","0.2111","0.2244","","","","","","0.984","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510338","30.4643","0.0006","30.4643","0.0006","10.0841","0.0004","90","","90","","120","","8104.9","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C240 H180 Cd17 Cl4 N24 O87 -","- C240.108 H144 Cd17 Cl4 N24 O87.162 -","- C240.108 H144 Cd17 Cl4 N24 O87.162 -","1","0.166667","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Three Porphyrin-Encapsulating Metal‒Organic Materials with Ordered Metalloporphyrin Moieties","Crystal Growth & Design","2014","14","4","1526","","10.1021/cg500192d","","","1.54178","CuKα","","0.1123","0.0863","","","0.2568","0.2811","","","","","","1.022","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510339","11.1578","0.0001","15.5651","0.0002","16.1486","0.0002","90","","103.75","","90","","2724.19","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][La(C12H6O4)2(H2O)]×H2O","[C6H7N4][La(C12H6O4)2(H2O)]×H2O","","- C30 H23 La N4 O10 -","- C30 H23 La N4 O10 -","- C120 H92 La4 N16 O40 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0172","0.0165","","","0.0624","0.0632","","","","","","1.013","","","","has coordinates","194586","2020-10-21","18:00:00",""
"4510340","11.179","0.005","15.482","0.007","16.052","0.007","90","","103.943","0.004","90","","2696","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Pr(C12H6O4)2(H2O)]×H2O","[C6H7N4][Pr(C12H6O4)2(H2O)]×H2O","","- C30 H23 N4 O10 Pr -","- C30 H23 N4 O10 Pr -","- C120 H92 N16 O40 Pr4 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0343","0.0323","","","0.1174","0.1219","","","","","","1.013","","","","has coordinates","194586","2020-10-21","18:00:00",""
"4510341","23.0803","0.0007","15.5854","0.0003","15.6694","0.0004","90","","103.898","0.002","90","","5471.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4]2[Sm2(C12H6O4)4(H2O)4]×1/2H2O","[C6H7N4]2[Sm2(C12H6O4)4(H2O)2]×1/2H2O","","- C60 H43 N8 O18.5 Sm2 -","- C60 H43 N8 O18.5 Sm2 -","- C240 H172 N32 O74 Sm8 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0354","0.0332","","","0.1155","0.1189","","","","","","0.986","","","","has coordinates","194586","2020-10-21","18:00:00",""
"4510342","11.7225","0.0001","15.7466","0.0001","15.4261","0.0001","90","","104.63","","90","","2755.17","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Eu(C12H6O4)2(H2O)]","[C6H7N4][Eu(C12H6O4)2(H2O)]","","- C30 H21 Eu N4 O9 -","- C30 H21 Eu N4 O9 -","- C120 H84 Eu4 N16 O36 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0296","0.0254","","","0.0759","0.0792","","","","","","1.012","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510343","11.7508","0.0004","15.7702","0.0004","15.359","0.0005","90","","104.795","0.001","90","","2751.85","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Gd(C12H6O4)2](H2O)","[C6H7N4][Gd(C12H6O4)2](H2O)","","- C30 H21 Gd N4 O9 -","- C30 H21 Gd N4 O9 -","- C120 H84 Gd4 N16 O36 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.044","0.0397","","","0.1215","0.128","","","","","","0.978","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510344","11.7438","0.0001","15.7457","0.0001","15.3042","0.0001","90","","105.051","0.001","90","","2732.88","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Tb(C12H6O4)2(H2O)]","[C6H7N4][Tb(C12H6O4)2(H2O)]","","- C30 H21 N4 O9 Tb -","- C30 H21 N4 O9 Tb -","- C120 H84 N16 O36 Tb4 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0302","0.0236","","","0.0569","0.0602","","","","","","1.004","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510345","11.7439","0.0001","15.7292","0.0002","15.2552","0.0002","90","","105.169","0.001","90","","2719.79","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Dy(C12H6O4)2(H2O)]","[C6H7N4][Dy(C12H6O4)2(H2O)]","","- C30 H21 Dy N4 O9 -","- C30 H21 Dy N4 O9 -","- C120 H84 Dy4 N16 O36 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0334","0.0291","","","0.0877","0.0912","","","","","","1.018","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510346","11.7276","0.0002","15.693","0.0003","15.2043","0.0003","90","","105.308","0.001","90","","2698.94","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Er(C12H6O4)2(H2O)]","[C6H7N4][Er(C12H6O4)2(H2O)]","","- C30 H21 Er N4 O9 -","- C30 H21 Er N4 O9 -","- C120 H84 Er4 N16 O36 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0516","0.0394","","","0.0859","0.0886","","","","","","0.965","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510347","9.5286","0.0003","9.7893","0.0003","13.7723","0.0005","90","","107.421","0.004","90","","1225.73","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cd3 O14 -","- C24 H18 Cd3 O14 -","- C48 H36 Cd6 O28 -","2","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0751","0.0682","","","0.1531","0.1561","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510348","16.9258","0.0008","10.7402","0.0005","27.8893","0.0017","90","","105.97","0.005","90","","4874.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Cd3 N4 O14 -","- C50 H46 Cd3 N4 O14 -","- C200 H184 Cd12 N16 O56 -","4","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0771","0.0555","","","0.0897","0.095","","","","","","1.162","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510349","14.6246","0.0008","12.9505","0.0006","14.8149","0.0008","90","","108.622","0.006","90","","2659","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H50 Cd3 N8 O16 -","- C52 H50 Cd3 N8 O16 -","- C104 H100 Cd6 N16 O32 -","2","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.051","0.0407","","","0.0731","0.0759","","","","","","1.087","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510350","18.7884","0.0008","10.2572","0.0004","13.2908","0.0007","90","","99.863","0.005","90","","2523.5","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H46 Cd3 N8 O14 -","- C52 H46 Cd3 N8 O14 -","- C104 H92 Cd6 N16 O28 -","2","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0436","0.0372","","","0.0653","0.0679","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510351","10.3343","0.0007","13.2335","0.0011","17.7162","0.0012","106.678","0.006","92.95","0.005","107.797","0.007","2184","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H84 Cd3 N18 O20 -","- C84 H84 Cd3 N18 O20 -","- C84 H84 Cd3 N18 O20 -","1","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.1101","0.0738","","","0.1306","0.1419","","","","","","1.065","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510352","9.9516","0.0003","15.7818","0.0007","16.5509","0.0007","110.421","0.004","101.582","0.003","90.029","0.003","2379.37","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H106 Cd3 N10 O28 -","- C94 H106 Cd3 N10 O28 -","- C94 H106 Cd3 N10 O28 -","1","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0971","0.076","","","0.1707","0.1804","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510353","5.877","0.003","19.574","0.009","12.586","0.006","90","","97.791","0.009","90","","1434.5","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 Se -","- C18 H12 N2 Se -","- C72 H48 N8 Se4 -","4","1","","Pati, Palas Baran; Zade, Sanjio S.","Benzoselenadiazole Containing Donor–Acceptor–Donor Small Molecules: Nonbonding Interactions, Packing Patterns, and Optoelectronic Properties","Crystal Growth & Design","2014","14","4","1695","","10.1021/cg401830f","","","0.71073","MoKα","","0.1298","0.0555","","","0.1343","0.167","","","","","","0.994","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510354","13.914","0.004","5.2933","0.0017","18.897","0.006","90","","110.716","0.006","90","","1301.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N2 S2 Se -","- C14 H8 N2 S2 Se -","- C56 H32 N8 S8 Se4 -","4","1","","Pati, Palas Baran; Zade, Sanjio S.","Benzoselenadiazole Containing Donor‒Acceptor‒Donor Small Molecules: Nonbonding Interactions, Packing Patterns, and Optoelectronic Properties","Crystal Growth & Design","2014","14","4","1695","","10.1021/cg401830f","","","0.71073","MoKα","","0.1514","0.0846","","","0.235","0.2922","","","","","","1.025","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510355","16.166","0.005","12.751","0.004","6.6381","0.0017","90","","90","","90","","1368.3","0.7","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 Se3 -","- C14 H8 N2 Se3 -","- C56 H32 N8 Se12 -","4","1","","Pati, Palas Baran; Zade, Sanjio S.","Benzoselenadiazole Containing Donor–Acceptor–Donor Small Molecules: Nonbonding Interactions, Packing Patterns, and Optoelectronic Properties","Crystal Growth & Design","2014","14","4","1695","","10.1021/cg401830f","","","0.71073","MoKα","","0.0788","0.0539","","","0.1563","0.1772","","","","","","1.067","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510356","4.9709","0.0002","9.7703","0.0005","24.2865","0.0013","90","","90","","90","","1179.53","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid","3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid","","- C10 H13 N O5 S -","- C10 H13 N O5 S -","- C40 H52 N4 O20 S4 -","4","1","","Zolotarev, Pavel N.; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; Al-amshany, Zahra M.; Blatov, Vladislav A.","A Possible Route toward Expert Systems in Supramolecular Chemistry: 2-Periodic H-Bond Patterns in Molecular Crystals","Crystal Growth & Design","2014","14","4","1938","","10.1021/cg500066p","","","1.54184","CuKα","","0.0521","0.0442","","","0.1042","0.1123","","","","","","1.084","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510357","24.942","0.003","24.942","0.003","24.942","0.003","90","","90","","90","","15517","3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C64 H64 N6 O30 Zn5 -","- C63.96 H57.84 N5.98 O30 Zn5 -","- C255.84 H231.36 N23.92 O120 Zn20 -","4","0.166667","","Chun, Hyungphil; Bak, Woojeong; Hong, Keunil; Moon, Dohyun","A Simple and Rational Approach for Binodal Metal‒Organic Frameworks with Tetrahedral Nodes and Unexpected Multimodal Porosities from Nonstoichiometric Defects","Crystal Growth & Design","2014","14","4","1998","","10.1021/cg500116f","","","0.74999","Synchrotron","","0.0967","0.0709","","","0.2181","0.2343","","","","","","1.059","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510358","18.018","0.003","18.018","0.003","20.174","0.004","90","","90","","120","","5672","1.7","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C34 H40 N4 O18 Zn2 -","- C30 H24 N2 O18 Zn2 -","- C60 H48 N4 O36 Zn4 -","2","0.166667","","Chun, Hyungphil; Bak, Woojeong; Hong, Keunil; Moon, Dohyun","A Simple and Rational Approach for Binodal Metal‒Organic Frameworks with Tetrahedral Nodes and Unexpected Multimodal Porosities from Nonstoichiometric Defects","Crystal Growth & Design","2014","14","4","1998","","10.1021/cg500116f","","","0.8","Synchrotron","","0.1754","0.1121","","","0.2969","0.3192","","","","","","1.703","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510359","12.323","0.005","18.408","0.005","18.015","0.005","90","0.005","104.012","0.005","90","0.005","3965","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 F12 Fe2 N4 O4 S4 -","- C32 H28 F12 Fe2 N4 O4 S4 -","- C128 H112 F48 Fe8 N16 O16 S16 -","4","0.5","","Fornalczyk, Gregor; Valldor, Martin; Mathur, Sanjay","Monomeric Iron Heteroarylalkenolates: Structural Design Concepts and Investigations on Their Application in Chemical Vapor Deposition","Crystal Growth & Design","2014","14","4","1811","","10.1021/cg401930n","","","0.71073","MoKα","","0.0721","0.0489","","","0.1347","0.1536","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510360","8.1848","0.0013","10.8195","0.0017","14.7741","0.0019","76.019","0.017","86.053","0.018","70.005","0.017","1192.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 F6 Fe N2 O3 S2 -","- C20 H23 F6 Fe N2 O3 S2 -","- C40 H46 F12 Fe2 N4 O6 S4 -","2","1","","Fornalczyk, Gregor; Valldor, Martin; Mathur, Sanjay","Monomeric Iron Heteroarylalkenolates: Structural Design Concepts and Investigations on Their Application in Chemical Vapor Deposition","Crystal Growth & Design","2014","14","4","1811","","10.1021/cg401930n","","","0.71073","MoKα","","0.0875","0.0416","","","0.0858","0.0961","","","","","","0.847","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510361","8.663","0.0017","6.5838","0.0013","9.0253","0.0018","90","","116.56","0.03","90","","460.4","0.2","123","1","123","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","(Me4N)(dcnm)","Tetramethylammonium dicyanonitrosomethanide","","- C7 H12 N4 O -","- C7 H13 N4 O -","- C14 H26 N8 O2 -","2","0.5","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0858","0.0691","","","0.1782","0.1954","","","","","","1.14","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510362","11.5852","0.0012","15.6154","0.0019","11.3954","0.0011","90","","109.555","0.005","90","","1942.6","0.4","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Me4N)(dcnom)","Tetramethylammonium dicyanonitromethanide","","- C7 H12 N4 O2 -","- C7 H12 N4 O2 -","- C56 H96 N32 O16 -","8","2","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.066","0.0463","","","0.1161","0.1273","","","","","","1.046","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510363","11.5051","0.0008","16.5318","0.0011","6.3634","0.0004","90","","93.046","0.002","90","","1208.61","0.14","123","1","123","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(Me4N)(nbdm)","Tetramethylammonium nitroso-N,N-bis(dicyanomethanide)","","- C10 H12 N6 O -","- C10 H12 N6 O -","- C40 H48 N24 O4 -","4","0.5","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0572","0.0519","","","0.1236","0.128","","","","","","1.098","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510364","7.4023","0.0003","17.2639","0.0008","8.3753","0.0004","90","","95.899","0.002","90","","1064.63","0.08","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Me4N)(ccnom)","Tetramethylammonium carbamoylcyanonitrosomethanide","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C28 H56 N16 O12 -","4","1","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0452","0.0362","","","0.0996","0.1063","","","","","","1.059","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510365","3.5082","0.0007","15.467","0.003","9.685","0.0019","90","","98.03","0.03","90","","520.37","0.18","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ag(ccnom)","Silver carbamoylcyanonitromethanide","","- C3 H2 Ag N3 O3 -","- C3 H2 Ag N3 O3 -","- C12 H8 Ag4 N12 O12 -","4","1","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0402","0.0256","","","0.0531","0.058","","","","","","1.075","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510366","8.6101","0.0005","10.4552","0.0007","9.3914","0.0007","90","","93.69","0.006","90","","843.66","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Coles, Simon J.; Threlfall, Terence L.; Tizzard, Graham J.","The Same but Different: Isostructural Polymorphs and the Case of 3-Chloromandelic Acid","Crystal Growth & Design","2014","14","4","1623","","10.1021/cg401655h","","","0.71075","MoKα","","0.1224","0.0676","","","0.1678","0.1978","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510367","8.571","0.0005","9.2373","0.0005","10.3612","0.0007","91.818","0.009","90.226","0.009","93.118","0.009","818.69","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","2","","Coles, Simon J.; Threlfall, Terence L.; Tizzard, Graham J.","The Same but Different: Isostructural Polymorphs and the Case of 3-Chloromandelic Acid","Crystal Growth & Design","2014","14","4","1623","","10.1021/cg401655h","","","0.71075","MoKα","","0.0554","0.0381","","","0.087","0.0938","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510368","31.9415","0.0009","36.1537","0.001","10.8862","0.0003","90","","90","","90","","12571.4","0.6","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H20 O10 Pb4 -","- C28 H20 O10 Pb4 -","- C448 H320 O160 Pb64 -","16","1","","Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.","Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2","Crystal Growth & Design","2014","14","4","2048","","10.1021/cg500177f","","","0.71073","MoKα","","0.0719","0.0378","","","0.0561","0.0635","","","","","","1.014","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510369","10.7791","0.0007","22.9541","0.0016","24.1692","0.0017","90","","90.212","0.001","90","","5980","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H40 O20 Pb8 -","- C56 H40 O20 Pb8 -","- C224 H160 O80 Pb32 -","4","2","","Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.","Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2","Crystal Growth & Design","2014","14","4","2048","","10.1021/cg500177f","","","0.7749","synchrotron","","0.04","0.0374","","","0.0827","0.0841","","","","","","1.004","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510370","13.263","0.003","22.855","0.004","13.483","0.004","90","","97.923","0.003","90","","4048","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 O13 Pb4 -","- C42 H30 O13 Pb4 -","- C168 H120 O52 Pb16 -","4","0.5","","Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.","Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2","Crystal Growth & Design","2014","14","4","2048","","10.1021/cg500177f","","","0.71073","MoKα","","0.0371","0.0261","","","0.0542","0.0599","","","","","","1.051","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510371","14.0905","0.0003","6.2506","0.0001","17.017","0.0003","90","","91.321","0.001","90","","1498.36","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-(benzo[d]isoxazole-3-yl)piperazin-1-yl)-2,2-dimethylpropanoic acid","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Braun, Doris E.; McMahon, Jennifer A.; Koztecki, Lien H.; Price, Sarah L.; Reutzel-Edens, Susan M.","Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape","Crystal Growth & Design","2014","14","4","2056","","10.1021/cg500185h","","","1.54178","CuKα","","0.0454","0.0402","","","0.1061","0.1103","","","","","","1.098","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510372","9.397","0.0003","10.8925","0.0003","11.0095","0.0004","65.728","0.002","67.321","0.002","77.584","0.002","945.71","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C44 H50 N6 O6 -","2","1","","Braun, Doris E.; McMahon, Jennifer A.; Koztecki, Lien H.; Price, Sarah L.; Reutzel-Edens, Susan M.","Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape","Crystal Growth & Design","2014","14","4","2056","","10.1021/cg500185h","","","1.54178","CuKα","","0.0537","0.0438","","","0.1128","0.1212","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510373","9.2754","0.0004","10.0504","0.0005","11.858","0.0006","106.01","0.004","108.236","0.003","99.895","0.003","967.99","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C44 H50 N6 O6 -","2","1","","Braun, Doris E.; McMahon, Jennifer A.; Koztecki, Lien H.; Price, Sarah L.; Reutzel-Edens, Susan M.","Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape","Crystal Growth & Design","2014","14","4","2056","","10.1021/cg500185h","","","1.54178","CuKα","","0.049","0.0392","","","0.1049","0.1115","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510374","11.8907","0.0007","10.7607","0.0007","8.4193","0.0005","90","","101.46","0.001","90","","1055.79","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Mn N O5 P -","- C9 H10 Mn N O5 P -","- C36 H40 Mn4 N4 O20 P4 -","4","1","","Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong","Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure","Crystal Growth & Design","2014","14","4","1580","","10.1021/cg4015064","","","0.71073","MoKα","","0.0368","0.0283","","","0.0726","0.0779","","","","","","1.013","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510375","8.6664","0.0011","9.7198","0.0012","27.196","0.003","90","","90","","90","","2290.9","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Co N O6 P -","- C9 H12 Co N O6 P -","- C72 H96 Co8 N8 O48 P8 -","8","1","","Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong","Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure","Crystal Growth & Design","2014","14","4","1580","","10.1021/cg4015064","","","0.71073","MoKα","","0.0594","0.0378","","","0.087","0.0988","","","","","","1.003","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510376","10.6837","0.0009","5.1842","0.0004","43.511","0.004","90","","90","","90","","2409.9","0.4","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H22 Cd3 N2 O13 P2 -","- C18 H22 Cd3 N2 O13 P2 -","- C72 H88 Cd12 N8 O52 P8 -","4","1","","Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong","Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure","Crystal Growth & Design","2014","14","4","1580","","10.1021/cg4015064","","","0.71073","MoKα","","0.0642","0.0548","","","0.1465","0.1561","","","","","","1.037","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510377","4.2226","0.0014","9.193","0.003","28.19","0.009","90.056","0.005","90.057","0.006","90.049","0.006","1094.3","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H13 N3 O3 S -","- C9 H13 N3 O3 S -","- C36 H52 N12 O12 S4 -","4","4","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.; Pashagin, Alexander V.; Bredikhina, Zemfira A.","Crystallization Features of the Chiral Drug Timolol Precursor: The Rare Case of Conglomerate with Partial Solid Solutions","Crystal Growth & Design","2014","14","4","1676","","10.1021/cg4017905","","","0.71073","MoKα","","0.0678","0.0519","","","0.1233","0.1334","","","","","","1.04","","","","has coordinates,has disorder","301843","2025-08-21","01:58:35",""
"4510378","4.2026","0.0001","9.1884","0.0001","28.2702","0.0004","90","","90","","90","","1091.66","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N3 O3 S -","- C9 H13 N3 O3 S -","- C36 H52 N12 O12 S4 -","4","1","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.; Pashagin, Alexander V.; Bredikhina, Zemfira A.","Crystallization Features of the Chiral Drug Timolol Precursor: The Rare Case of Conglomerate with Partial Solid Solutions","Crystal Growth & Design","2014","14","4","1676","","10.1021/cg4017905","","","0.71073","MoKα","","0.0525","0.0459","","","0.1219","0.1274","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510379","15.6644","0.0013","9.555","0.0008","10.0249","0.0008","90","","100.696","0.002","90","","1474.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Co N5 O3 -","- C12 H14 Co N5 O3 -","- C48 H56 Co4 N20 O12 -","4","1","","Liu, Bo; Shi, Jingtao; Yue, Ke-Fen; Li, Dong-Sheng; Wang, Yao-Yu","Distinct Temperature-Dependent CO2Sorption of Two Isomeric Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","2003","","10.1021/cg500121f","","","0.71073","MoKα","","0.0698","0.049","","","0.1428","0.1676","","","","","","1.043","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510380","10.018","0.009","35.527","0.003","9.37","0.08","90","","90","","90","","3335","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H7 Co N4 O2 -","- C9 H7 Co N4 O2 -","- C72 H56 Co8 N32 O16 -","8","1","","Liu, Bo; Shi, Jingtao; Yue, Ke-Fen; Li, Dong-Sheng; Wang, Yao-Yu","Distinct Temperature-Dependent CO2Sorption of Two Isomeric Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","2003","","10.1021/cg500121f","","","0.71069","MoKα","","0.169","0.0928","","","0.2237","0.2414","","","","","","1.066","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510385","5.7035","0.0007","5.9553","0.0007","23.535","0.002","82.94","0.009","84.447","0.009","63.14","0.012","706.97","0.15","15","","15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Na O4 -","- C13 H21 Na O4 -","- C26 H42 Na2 O8 -","2","1","","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Bernazzani, Luca; Carignani, Elisa; Borsacchi, Silvia; Geppi, Marco","Solid‒Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study","Crystal Growth & Design","2014","14","5","2441","","10.1021/cg500161e","","","0.71073","MoKα","","0.1103","0.0723","","","0.1689","0.1972","","","","","","1.059","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510386","5.7227","0.0005","5.9955","0.0005","23.661","0.002","83","0.007","89.351","0.007","63.032","0.009","717.26","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Na O4 -","- C13.006 H21.027 Na O4 -","- C26.012 H42.054 Na2 O8 -","2","1","","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Bernazzani, Luca; Carignani, Elisa; Borsacchi, Silvia; Geppi, Marco","Solid‒Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study","Crystal Growth & Design","2014","14","5","2441","","10.1021/cg500161e","","","0.71073","MoKα","","0.1341","0.0847","","","0.1979","0.2236","","","","","","1.076","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510387","5.7272","0.0006","6.0052","0.0006","23.723","0.002","83.333","0.009","89.081","0.009","63.06","0.01","721.83","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Na O4 -","- C13.008 H21.036 Na O4 -","- C26.016 H42.072 Na2 O8 -","2","1","","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Bernazzani, Luca; Carignani, Elisa; Borsacchi, Silvia; Geppi, Marco","Solid‒Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study","Crystal Growth & Design","2014","14","5","2441","","10.1021/cg500161e","","","0.71073","MoKα","","0.1008","0.0818","","","0.1734","0.1812","","","","","","1.125","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510388","5.7808","0.0005","6.0812","0.0005","23.998","0.002","95.309","0.008","90.212","0.008","117.137","0.009","746.54","0.13","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Na O4 -","- C13.006 H21.018 Na O4 -","- C26.012 H42.036 Na2 O8 -","2","1","","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Bernazzani, Luca; Carignani, Elisa; Borsacchi, Silvia; Geppi, Marco","Solid‒Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study","Crystal Growth & Design","2014","14","5","2441","","10.1021/cg500161e","","","0.71073","MoKα","","0.2339","0.0987","","","0.1831","0.2379","","","","","","1.055","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510389","7.668","0.002","12.341","0.003","35.548","0.004","90","","90","","90","","3363.9","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-D-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Seventeen-Membered Water Cluster Resulting from Recognition of Solvated Anions on Brucinium Corrugated Layers","Crystal Growth & Design","2014","14","5","2621","","10.1021/cg500310n","","","0.71073","MoKα","","0.1049","0.0587","","","0.1068","0.1273","","","","","","0.975","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510390","31.826","0.006","12.51","0.003","35.668","0.003","90","","104.98","0.03","90","","13718","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(4-nitrobenzoyl)-L-alaninate 4.8-hydrate","","- C33 H45.6 N4 O13.8 -","- C33 H44.745 N4 O13.8 -","- C528 H715.92 N64 O220.8 -","16","4","","Białońska, Agata; Ciunik, Zbigniew","Seventeen-Membered Water Cluster Resulting from Recognition of Solvated Anions on Brucinium Corrugated Layers","Crystal Growth & Design","2014","14","5","2621","","10.1021/cg500310n","","","0.71073","MoKα","","0.29","0.0954","","","0.1553","0.2321","","","","","","0.955","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510391","34.838","0.014","4.952","0.002","18.965","0.008","90","","107.238","0.005","90","","3125","2","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 F6 N2 -","- C18.0004 H12.0004 F6 N2 -","- C144.003 H96.0032 F48 N16 -","8","1","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0642","","","","0.1915","","","","","","1.01","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510392","10.0242","0.001","16.1126","0.0015","25.623","0.003","106.177","0.001","95.81","0.001","100.358","0.001","3859.4","0.7","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H14 F6 N2 -","- C23 H14 F6 N2 -","- C184 H112 F48 N16 -","8","4","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0485","","","","0.1402","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510393","9.616","0.003","9.852","0.003","18.004","0.007","103.332","0.005","98.571","0.005","105.946","0.004","1554.2","0.9","90","","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 F6 N2 -","- C18 H12 F6 N2 -","- C72 H48 F24 N8 -","4","2","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71073","MoKα","","","0.0456","","","","0.1331","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510394","7.637","0.004","15.587","0.007","16.449","0.008","90","","114.098","0.005","90","","1787.4","1.5","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F6 N2 -","- C20 H16 F6 N2 -","- C80 H64 F24 N8 -","4","1","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0383","","","","0.106","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510395","4.933","0.0015","68.63","0.03","9.492","0.004","90","","104.44","0.04","90","","3112","2","90","","90","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N2 -","- C18 H12 F6 N2 -","- C144 H96 F48 N16 -","8","2","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71075","MoKα","","","0.0549","","","","0.1357","","","","","","0.946","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510396","31.797","0.006","5.0671","0.001","25.628","0.005","90","","108.368","0.002","90","","3918.8","1.3","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 F6 N2 -","- C23 H14 F6 N2 -","- C184 H112 F48 N16 -","8","1","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0513","","","","0.1507","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510397","21.797","0.005","4.7866","0.0011","31.64","0.007","90","","90","","90","","3301.1","1.3","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H14 F6 N2 -","- C19 H14 F6 N2 -","- C152 H112 F48 N16 -","8","2","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0488","","","","0.125","","","","","","1.051","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510398","8.858","0.003","9.351","0.003","11.404","0.004","81.884","0.004","89.636","0.004","65.688","0.003","850.8","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 F6 N2 -","- C19 H14 F6 N2 -","- C38 H28 F12 N4 -","2","1","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0343","","","","0.0914","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510399","8.6087","0.0006","17.1155","0.0017","12.3063","0.0012","90","","107.67","0.006","90","","1727.7","0.3","150","1","150","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Br-Cl12BsubPc benzene solvate","Bromido(dodecachlorosubphthalocyaninato)boron(III)(benzene)","","- C30 H6 B Br Cl12 N6 -","- C30 H6 B Br Cl12 N6 -","- C60 H12 B2 Br2 Cl24 N12 -","2","0.5","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.1152","0.052","","","0.1017","0.1234","","","","","","1.003","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510400","13.1035","0.0003","7.4123","0.0002","25.5026","0.0006","90","","99.543","0.0014","90","","2442.71","0.1","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cl-Cl6BsubPc","Chlorodo(hexachlorosubphthalocyaninato)boron(III)","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.0727","0.0444","","","0.1065","0.1226","","","","","","1.042","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510401","8.5924","0.0002","14.3712","0.0006","14.8152","0.0006","113.893","0.0015","97.251","0.002","93.484","0.002","1646.6","0.11","150","1","150","1","","","","","","","","5","P -1","-P 1","2","Cl-Cl12BsubPc chloroform solvate","Chlorodo(dodecachlorosubphthalocyaninato)boron(III)(chloroform)","","- C25 H B Cl16 N6 -","- C25 H B Cl16 N6 -","- C50 H2 B2 Cl32 N12 -","2","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.091","0.0476","","","0.102","0.1248","","","","","","1.045","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510402","8.5071","0.0004","16.7281","0.0004","12.8155","0.0006","90","","106.602","0.0016","90","","1747.72","0.12","150","1","150","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cl-Cl12BsubPc toluene solvate","Chlorodo(dodecachlorosubphthalocyaninato)boron(III)(toluene)","","- C31 H8 B Cl13 N6 -","- C31 H8 B Cl13 N6 -","- C62 H16 B2 Cl26 N12 -","2","0.5","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.0713","0.0422","","","0.0969","0.1137","","","","","","1.045","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510403","8.6097","0.0005","14.8531","0.0009","15.6559","0.001","79.815","0.003","74.727","0.003","88.451","0.003","1900.5","0.2","147","2","147","2","","","","","","","","6","P -1","-P 1","2","Br-Cl12BsubPc toluene solvate","Bromido(dodecachlorosubphthalocyaninato)boron(III)(toluene)","","- C34.5 H12 B Br Cl12 N6 -","- C34.5 H12 B Br Cl12 N6 -","- C69 H24 B2 Br2 Cl24 N12 -","2","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","1.54178","CuKα","","0.0705","0.0578","","","0.1593","0.1667","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510404","13.1456","0.0003","7.4954","0.0003","25.5678","0.001","90","","99.523","0.002","90","","2484.52","0.15","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Br/Cl-Cl6BsubPc","Bromido/chlorodo(hexachlorosubphthalocyaninato)boron(III)","","- C24 H6 B Br0.27 Cl6.73 N6 -","- C24 H6 B Br0.267 Cl6.733 N6 -","- C96 H24 B4 Br1.068 Cl26.932 N24 -","4","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.1207","0.0555","","","0.128","0.1596","","","","","","0.987","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510405","8.6142","0.0003","12.4441","0.0004","13.806","0.0005","89.047","0.0019","85.918","0.002","88.701","0.0017","1475.65","0.09","150","1","150","1","","","","","","","","4","P -1","-P 1","2","Cl-Cl12BsubPc sublimate","Chlorodo(dodecachlorosubphthalocyaninato)boron(III)","","- C24 B Cl13 N6 -","- C24 B Cl13 N6 -","- C48 B2 Cl26 N12 -","2","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.0582","0.0373","","","0.0841","0.0952","","","","","","1.042","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510406","12.0109","0.0003","23.7971","0.0005","15.1235","0.0005","90","","105.527","0.0012","90","","4164.9","0.2","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","F5PhO-Cl12BsubPc toluene solvate","(Pentafluorophenolato)(dodecachlorosubphthalocyaninato)boron(III)(toluene2)","","- C39.75 H11.5 B Cl12 F5 N6.5 O -","- C39.75 H11.5 B Cl12 F5 N6.5 O -","- C159 H46 B4 Cl48 F20 N26 O4 -","4","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.1057","0.0542","","","0.1234","0.1519","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510407","17.053","0.006","11.363","0.004","18.518","0.006","90","","116.226","0.004","90","","3218.9","1.9","98","2","98","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H50 N4 O14 Zn2 -","- C56 H50 N4 O14 Zn2 -","- C112 H100 N8 O28 Zn4 -","2","0.5","","Alawisi, Hussah; Li, Bin; He, Yabing; Arman, Hadi D.; Asiri, Abdullah M.; Wang, Hailong; Chen, Banglin","A Microporous Metal‒Organic Framework Constructed from a New Tetracarboxylic Acid for Selective Gas Separation","Crystal Growth & Design","2014","14","5","2522","","10.1021/cg500235j","","","0.71073","MoKα","","0.1139","0.1088","","","0.3484","0.3606","","","","","","1.65","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510408","30.04","0.02","30.04","0.02","13.361","0.01","90","","90","","120","","10442","13","228","2","228","2","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C54 H30 Cr3 N6 O28 S3 Zn3 -","- C54 H30 Cr3 N6 O28 S3 Zn3 -","- C108 H60 Cr6 N12 O56 S6 Zn6 -","2","0.0833333","","Schoedel, Alexander; Jaquier, Michael; Boyette, Wesley; Wojtas, Lukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","4,6-ConnectedfsbTopology Networks Obtained through Two-Step Crystal Engineering of Decorated Trigonal Prismatic Nodes","Crystal Growth & Design","2014","14","5","2115","","10.1021/cg500205f","","","1.54178","CuKα","","0.0895","0.0678","","","0.1814","0.1878","","","","","","1.009","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510409","30.242","0.004","30.242","0.004","13.406","0.003","90","","90","","120","","10618","3","228","2","228","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C60 H36 Cr3 N6 O28 Zn3 -","- C60 H36 Cr3 N6 O28 Zn3 -","- C120 H72 Cr6 N12 O56 Zn6 -","2","0.0833333","","Schoedel, Alexander; Jaquier, Michael; Boyette, Wesley; Wojtas, Lukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","4,6-ConnectedfsbTopology Networks Obtained through Two-Step Crystal Engineering of Decorated Trigonal Prismatic Nodes","Crystal Growth & Design","2014","14","5","2115","","10.1021/cg500205f","","","1.54178","CuKα","","0.0833","0.0666","","","0.1881","0.1956","","","","","","1.085","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510410","15.748","0.009","6.067","0.003","15.816","0.008","90","","104.771","0.016","90","","1461.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0607","0.0431","","","0.1082","0.1395","","","","","","1.068","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510411","15.791","0.0011","6.0752","0.0004","15.8571","0.0011","90","","104.798","0.002","90","","1470.77","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0516","0.0379","","","0.1027","0.1299","","","","","","1.137","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510412","9.1696","0.0003","6.1","0.0002","14.0886","0.0006","90","","102.164","0.002","90","","770.35","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C32 H36 Br2 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0525","0.0354","","","0.1055","0.1318","","","","","","0.869","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510413","9.0497","0.0004","6.0462","0.0003","13.8277","0.0006","90","","100.174","0.002","90","","744.7","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C32 H36 Br2 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.035","0.028","","","0.0599","0.0853","","","","","","1.152","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510414","9.1044","0.0004","6.1014","0.0003","14.0785","0.0006","90","","102.464","0.001","90","","763.62","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C32 H36 Cl2 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0381","0.0344","","","0.0973","0.1092","","","","","","1.115","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510416","11.6182","0.001","6.0241","0.0005","11.6695","0.001","90","","106.132","0.002","90","","784.58","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0578","0.0397","","","0.1041","0.1398","","","","","","1.109","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510417","11.6215","0.001","6.0357","0.0005","11.674","0.001","90","","106.13","0.002","90","","786.62","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0473","0.0348","","","0.0966","0.1393","","","","","","0.819","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510418","18.814","0.004","5.7401","0.0012","14.803","0.003","90","","91.957","0.005","90","","1597.7","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0702","0.0464","","","0.1367","0.1681","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510419","18.7783","0.0009","5.7284","0.0003","14.7747","0.0006","90","","91.946","0.005","90","","1588.39","0.13","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0915","0.0503","","","0.1566","0.1839","","","","","","1.102","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510420","18.7305","0.001","5.7286","0.0003","14.6009","0.0008","90","","91.488","0.003","90","","1566.14","0.15","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0622","0.0435","","","0.1298","0.162","","","","","","1.107","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510421","18.2329","0.0006","5.6931","0.0002","14.5435","0.0004","90","","92.219","0.001","90","","1508.51","0.08","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0287","0.0263","","","0.0721","0.0828","","","","","","1.11","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510422","20.1479","0.0017","6.3269","0.0005","12.3797","0.001","90","","92.249","0.005","90","","1576.9","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0691","0.0433","","","0.1308","0.1636","","","","","","1.125","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510423","20.1528","0.0009","6.3263","0.0003","12.373","0.0005","90","","92.303","0.004","90","","1576.19","0.12","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 F N O2 -","- C16 H16 F N O2 -","- C64 H64 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0529","0.0438","","","0.1354","0.1619","","","","","","1.205","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510424","18.4839","0.0006","5.8648","0.0001","14.7362","0.0004","90","","94.277","0.003","90","","1593.02","0.07","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0405","0.037","","","0.103","0.1081","","","","","","1.058","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510425","6.4736","0.0016","12.144","0.003","20.562","0.005","90","","90","","90","","1616.5","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1133","0.0715","","","0.1817","0.2186","","","","","","1.436","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510426","6.4741","0.0003","12.1369","0.0005","20.5318","0.0008","90","","90","","90","","1613.3","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1039","0.0767","","","0.2203","0.25","","","","","","1.046","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510427","6.488","0.0003","12.0928","0.0006","20.1117","0.001","90","","90","","90","","1577.93","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0551","0.049","","","0.1455","0.16","","","","","","1.09","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510428","6.4865","0.0007","11.9271","0.0012","19.82","0.002","90","","90","","90","","1533.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0328","0.0281","","","0.0669","0.0764","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510429","6.472","0.0005","12.2437","0.0008","19.4058","0.0014","90","","90","","90","","1537.74","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0847","0.0473","","","0.1368","0.1755","","","","","","1.091","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510430","6.5083","0.0002","12.0454","0.0003","18.8508","0.0005","90","","90","","90","","1477.81","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.048","0.0348","","","0.0997","0.1248","","","","","","0.917","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510431","5.7242","0.0003","12.161","0.0007","22.5922","0.0013","90","","90","","90","","1572.69","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0563","0.0388","","","0.1112","0.1385","","","","","","1.15","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510432","5.7217","0.0003","12.1561","0.0007","22.5944","0.0012","90","","90","","90","","1571.52","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0683","0.0419","","","0.1161","0.1472","","","","","","1.133","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510433","5.7484","0.0005","12.1833","0.001","22.8871","0.0018","90","","90","","90","","1602.9","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1235","0.0843","","","0.2584","0.3033","","","","","","1.048","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510434","5.7438","0.0003","12.1764","0.0007","22.8889","0.0012","90","","90","","90","","1600.82","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0579","0.0429","","","0.1257","0.1506","","","","","","1.139","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510435","5.9075","0.0011","12.565","0.002","20.215","0.004","90","","90","","90","","1500.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1514","0.0561","","","0.1341","0.2061","","","","","","0.966","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510436","5.9102","0.0007","12.5547","0.0015","20.197","0.002","90","","90","","90","","1498.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0803","0.0473","","","0.1311","0.1691","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510437","6.8857","0.0005","12.8536","0.0009","18.8943","0.0014","90","","90","","90","","1672.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0599","0.0447","","","0.1355","0.1623","","","","","","0.864","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510438","6.873","0.004","12.792","0.006","18.27","0.009","90","","90","","90","","1606.3","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0271","0.0262","","","0.0652","0.0672","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510439","6.7277","0.0008","8.5988","0.001","27.314","0.003","90","","90","","90","","1580.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0751","0.0411","","","0.1132","0.146","","","","","","1.106","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510440","6.7196","0.0011","8.5932","0.0014","27.33","0.005","90","","90","","90","","1578.1","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0975","0.0657","","","0.1559","0.1952","","","","","","1.182","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510441","5.7057","0.0008","15.291","0.002","18.545","0.003","90","","90","","90","","1618","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 N2 O4 -","- C16 H10 N2 O3.66 -","- C64 H40 N8 O14.64 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0969","0.0832","","","0.2168","0.2367","","","","","","1.08","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510442","23.139","0.002","23.139","0.002","10.5768","0.0019","90","","90","","90","","5663","1.2","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C43 H58 Ag2 N16 O4 -","- C43 H58 Ag2 N16 O4 -","- C172 H232 Ag8 N64 O16 -","4","0.5","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1005","0.0785","","","0.1793","0.1906","","","","","","1.028","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510443","22.943","0.003","22.943","0.003","10.4944","0.0013","90","","90","","90","","5524.1","1.2","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C43 H58 Ag2 N16 O4 -","- C43 H58 Ag2 N16 O4 -","- C172 H232 Ag8 N64 O16 -","4","0.5","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1209","0.0878","","","0.2155","0.2276","","","","","","1.254","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510444","23.1175","0.0006","23.1175","0.0006","28.1024","0.0015","90","","90","","90","","15018.5","1","298","2","298","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C17 H23 Ag N6 O2 -","- C17 H23 Ag N6 O2 -","- C544 H736 Ag32 N192 O64 -","32","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.0433","0.0307","","","0.0737","0.0816","","","","","","1.021","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510445","23.326","0.0006","32.24","0.002","9.8621","0.0014","90","","90","","90","","7416.6","1.2","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30 H41 Ag2 N10 O4 -","- C30 H41 Ag2 N10 O4 -","- C240 H328 Ag16 N80 O32 -","8","","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.0605","0.0474","","","0.1154","0.126","","","","","","1.055","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510446","22.712","0.005","34.599","0.008","9.858","0.002","90","","90","","90","","7747","3","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C31 H43 Ag2 N10 O4 -","- C31 H43 Ag2 N10 O4 -","- C248 H344 Ag16 N80 O32 -","8","","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1278","0.054","","","0.0945","0.1204","","","","","","0.969","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510447","30.817","0.006","10.354","0.002","34.565","0.007","90","","98.748","0.004","90","","10901","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H71 Ag2 N14 O10 -","- C42 H71 Ag2 N14 O10 -","- C336 H568 Ag16 N112 O80 -","8","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1098","0.0534","","","0.0996","0.1232","","","","","","0.966","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510448","49.04","0.01","10.368","0.002","34.821","0.012","90","","134.615","0.003","90","","12603","6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H68 Ag2 N16 O4 -","- C48 H68 Ag2 N16 O4 -","- C384 H544 Ag16 N128 O32 -","8","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1234","0.0743","","","0.1844","0.2001","","","","","","0.878","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510449","35.034","0.014","10.387","0.004","30.465","0.013","90","","113.813","0.007","90","","10142","7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H63 Ag2 N12 O7.5 -","- C39 H63 Ag2 N12 O7.5 -","- C312 H504 Ag16 N96 O60 -","8","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1222","0.0563","","","0.1321","0.1636","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510450","26.808","0.0014","8.1923","0.0005","23.3025","0.0016","90","","98.956","0.007","90","","5055.3","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.6 H23.4 N3.2 O6.2 Zn -","- C21 H15 N2 O5 Zn -","- C168 H120 N16 O40 Zn8 -","8","1","","Masoomi, Mohammad Yaser; Stylianou, Kyriakos C.; Morsali, Ali; Retailleau, Pascal; Maspoch, Daniel","Selective CO2Capture in Metal‒Organic Frameworks with Azine-Functionalized Pores Generated by Mechanosynthesis","Crystal Growth & Design","2014","14","5","2092","","10.1021/cg500033b","","","1.54187","CuKα","","0.1091","0.0916","","","0.2561","0.2877","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510451","12.546","0.004","26.633","0.007","15.734","0.006","90","","97.869","0.004","90","","5208","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H57.5 N8.5 O14.5 Zn2 -","- C40 H26 N4 O10 Zn2 -","- C160 H104 N16 O40 Zn8 -","4","1","","Masoomi, Mohammad Yaser; Stylianou, Kyriakos C.; Morsali, Ali; Retailleau, Pascal; Maspoch, Daniel","Selective CO2Capture in Metal‒Organic Frameworks with Azine-Functionalized Pores Generated by Mechanosynthesis","Crystal Growth & Design","2014","14","5","2092","","10.1021/cg500033b","","","0.71073","MoKα","","0.0917","0.0702","","","0.2074","0.2239","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510452","12.5452","0.0008","13.1706","0.0007","13.9635","0.0008","83.394","0.005","83.929","0.005","73.324","0.005","2189","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H50 N2 O8 S2 -","- C50 H50 N2 O8 S2 -","- C100 H100 N4 O16 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0931","0.0585","","","0.1256","0.1453","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510453","8.9573","0.0006","9.1651","0.0014","20.0432","0.0018","86.677","0.01","86.805","0.006","63.623","0.01","1470.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N O6 S -","- C30 H39 N O6 S -","- C60 H78 N2 O12 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.1009","0.0663","","","0.1619","0.1883","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510454","9.2905","0.0006","12.7229","0.0009","13.1196","0.0008","97.514","0.005","108.613","0.006","97.648","0.006","1431.59","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H37 N O5 S -","- C30 H37 N O5 S -","- C60 H74 N2 O10 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0933","0.0645","","","0.1525","0.1692","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510455","10.4196","0.0007","12.7334","0.0009","13.6397","0.0009","98.219","0.005","107.747","0.006","109.026","0.006","1569.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H41 N O5 S -","- C32 H41 N O5 S -","- C64 H82 N2 O10 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.1073","0.0669","","","0.1725","0.2041","","","","","","1.034","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510456","9.4949","0.0006","10.9884","0.0005","13.8529","0.0008","92.306","0.004","95.015","0.005","110.213","0.005","1347.28","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 N O4 S -","- C29 H33 N O4 S -","- C58 H66 N2 O8 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0939","0.0632","","","0.1592","0.1832","","","","","","1.004","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510457","10.8859","0.0006","14.7685","0.001","19.5931","0.001","69.419","0.005","87.083","0.004","77.81","0.005","2881.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H70 N2 O14 S2 -","- C60 H70 N2 O14 S2 -","- C120 H140 N4 O28 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.1116","0.0692","","","0.1539","0.1803","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510458","7.9064","0.0015","13.5759","0.0014","14.349","0.002","91.88","0.011","102.104","0.014","104.57","0.013","1451.5","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 N3 O5 S -","- C30 H35 N3 O5 S -","- C60 H70 N6 O10 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.096","0.0575","","","0.1158","0.1365","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510459","9.2022","0.0004","15.7709","0.0006","19.6994","0.0011","90","","98.936","0.004","90","","2824.2","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O5 S3 -","- C28 H33 N O5 S3 -","- C112 H132 N4 O20 S12 -","4","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.1002","0.069","","","0.1936","0.2158","","","","","","1.075","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510460","31.3213","0.0013","31.3213","0.0013","13.0094","0.0006","90","","90","","120","","11052.7","0.8","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H25 N O5 S -","- C24 H23 N O5 S -","- C432 H414 N18 O90 S18 -","18","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0913","0.0592","","","0.1393","0.1537","","","","","","1.019","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510461","8.8813","0.0007","10.3007","0.0007","13.0949","0.0011","108.557","0.007","94.862","0.006","97.117","0.006","1117.07","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O5 S -","- C24 H25 N O5 S -","- C48 H50 N2 O10 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0604","0.0435","","","0.1075","0.1177","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510462","11.5015","0.0007","16.4403","0.0007","19.6538","0.0009","96.2","0.004","91.847","0.004","109.329","0.005","3477.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H76 N4 O6 S2 -","- C86 H76 N4 O6 S2 -","- C172 H152 N8 O12 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0971","0.0593","","","0.1377","0.159","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510463","15.2339","0.0004","33.4083","0.001","14.3529","0.0004","90","","90","","90","","7304.7","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H52 Dy5 K5 N10 O66 -","- C40 Dy5 K5 N10 O66 -","- C160 Dy20 K20 N40 O264 -","4","0.5","","Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2014","14","4","2014","","10.1021/cg5001254","","","0.71073","MoKα","","0.0538","0.0444","","","0.0919","0.0966","","","","","","1.231","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510464","15.203","0.003","33.371","0.007","14.395","0.003","90","","90","","90","","7303","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H52 Ho5 K5 N10 O66 -","- C40 Ho5 K5 N10 O66 -","- C160 Ho20 K20 N40 O264 -","4","0.5","","Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2014","14","4","2014","","10.1021/cg5001254","","","0.71073","MoKα","","0.0485","0.0316","","","0.0729","0.0814","","","","","","1.029","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510465","15.0646","0.0003","33.0834","0.0008","14.4068","0.0003","90","","90","","90","","7180.2","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H52 K5 N10 O66 Yb5 -","- C40 K5 N10 O66 Yb5 -","- C160 K20 N40 O264 Yb20 -","4","0.5","","Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2014","14","4","2014","","10.1021/cg5001254","","","0.71073","MoKα","","0.0565","0.0466","","","0.0894","0.0936","","","","","","1.165","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510466","23.15","0.02","10.354","0.01","29.282","0.01","90","","90","","90","","7019","9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N2 O3.5 -","- C18 H19 N2 O3.5 -","- C288 H304 N32 O56 -","16","2","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.1908","0.0568","","","0.1316","0.1639","","","","","","0.923","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4510467","23.793","0.011","9.123","0.002","10.925","0.004","90","","102.6","0.02","90","","2314.3","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 O9 -","- C22 H24 N2 O9 -","- C88 H96 N8 O36 -","4","0.5","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.0542","0.05","","","0.132","0.1347","","","","","","1.11","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510468","7.041","0.004","12.717","0.005","16.156","0.007","90","","104.25","0.03","90","","1402.1","1.2","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 O3 -","- C12 H22 N2 O3 -","- C48 H88 N8 O12 -","4","1","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.0814","0.0604","","","0.1673","0.1815","","","","","","1.123","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510469","6.019","0.004","7.217","0.003","26.878","0.013","90","","90","","90","","1167.6","1.1","293","2","293","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.0508","0.0487","","","0.1131","0.1154","","","","","","1.067","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510470","10.737","0.006","11.931","0.005","16.323","0.007","90","","119.13","0.03","90","","1826.5","1.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N4 O7 -","- C16 H24 N4 O7 -","- C64 H96 N16 O28 -","4","1","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.1469","0.0532","","","0.1108","0.1345","","","","","","0.865","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510471","18.512","0.011","7.339","0.003","16.768","0.008","90","","102.9","","90","","2220.6","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 N4 O11 -","- C18 H34 N4 O11 -","- C72 H136 N16 O44 -","4","0.5","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.0487","0.0444","","","0.1146","0.1184","","","","","","1.104","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510472","14.63","0.003","20.316","0.004","19.24","0.004","90","","110.17","0.03","90","","5368","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 Cu N8 O8 S4 -","- C54 H52 Cu N8 O8 S4 -","- C216 H208 Cu4 N32 O32 S16 -","4","0.5","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.1154","0.0523","","","0.1176","0.1345","","","","","","0.881","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510473","12.2467","0.0014","12.6654","0.0014","20.006","0.002","100.451","0.002","98.868","0.002","114.245","0.002","2690.5","0.5","571","2","571","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H52 N8 Ni O8 S4 -","- C54 H47 N8 Ni O8 S4 -","- C108 H94 N16 Ni2 O16 S8 -","2","1","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.1995","0.0637","","","0.1132","0.15","","","","","","0.849","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4510474","12.2674","0.0009","12.6097","0.0009","20.1508","0.0014","100.108","0.001","99.267","0.001","114.157","0.001","2704.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H52 N8 O8 Pd S4 -","- C54 H47 N8 O8 Pd S4 -","- C108 H94 N16 O16 Pd2 S8 -","2","1","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.1265","0.0521","","","0.0979","0.118","","","","","","0.825","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4510475","6.9946","0.0005","26.3116","0.0019","14.0147","0.001","90","","97.455","0.001","90","","2557.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 N8 O8 Pt S4 -","- C54 H52 N8 O8 Pt S4 -","- C108 H104 N16 O16 Pt2 S8 -","2","0.5","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.0304","0.0276","","","0.0677","0.0689","","","","","","1.136","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510476","12.2553","0.0007","13.983","0.0008","19.4427","0.0011","96.987","0.001","91.863","0.001","114.797","0.001","2989.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 N4 O8 S10 Zn -","- C52 H50 N4 O8 S10 Zn -","- C104 H100 N8 O16 S20 Zn2 -","2","1","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.1469","0.0689","","","0.1773","0.2064","","","","","","0.88","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4510482","12.2184","0.0012","11.6715","0.0009","18.5188","0.0017","90","","94.867","0.008","90","","2631.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Blonanserinium nicotinate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-Pyridine-3-carboxylic acid","","- C29 H35 F N4 O2 -","- C29 H35 F N4 O2 -","- C116 H140 F4 N16 O8 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.1672","0.0623","","","0.1008","0.1246","","","","","","0.872","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510483","6.7308","0.0008","10.5808","0.0013","34.376","0.004","90","","91.931","0.002","90","","2446.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Blonanserinium mesylate monohydrate","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-Methanesulfonic acid-monohydrate","","- C24 H36 F N3 O4 S -","- C24 H36 F N3 O4 S -","- C96 H144 F4 N12 O16 S4 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0522","0.0423","","","0.097","0.1015","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510484","12.6945","0.0009","13.7444","0.0009","14.4954","0.001","98.502","0.001","98.841","0.001","105.949","0.001","2354.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Blonanserinium mesylate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-Methanesulfonic acid","","- C24 H34 F N3 O3 S -","- C24 H34 F N3 O3 S -","- C96 H136 F4 N12 O12 S4 -","4","2","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0534","0.0464","","","0.1121","0.1171","","","","","","1.041","","","","has coordinates,has disorder","301843","2025-08-21","01:58:35",""
"4510485","8.9999","0.0009","13.0762","0.0013","21.704","0.002","90","","90","","90","","2554.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Blonanserinium succinate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-1,4-Butanedioic acid","","- C27 H36 F N3 O4 -","- C27 H36 F N3 O4 -","- C108 H144 F4 N12 O16 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0367","0.0339","","","0.0762","0.0774","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510486","6.3176","0.0009","36.767","0.005","11.658","0.0017","90","","99.549","0.002","90","","2670.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Blonanserinium tosylate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-4-Methylbenzenesulfonic acid","","- C30 H38 F N3 O3 S -","- C30 H38 F N3 O3 S -","- C120 H152 F4 N12 O12 S4 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.064","0.06","","","0.1345","0.1368","","","","","","1.158","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510487","13.655","0.012","11.54","0.01","15.669","0.014","90","","103.515","0.013","90","","2401","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Blonanserin-suberic acid cocrystal","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-1,8-Octanedioic acid","","- C27 H37 F N3 O2 -","- C27 H37 F N3 O2 -","- C108 H148 F4 N12 O8 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0634","0.043","","","0.096","0.1028","","","","","","0.988","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510488","6.592","0.0017","11.118","0.003","12.589","0.003","90","","118.869","0.011","90","","808","0.4","190","","190","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Negrier, P.; Barrio, M.; Romanini, M.; Tamarit, J. Ll.; Mondieig, D.; Krivchikov, A. I.; Kepinski, L.; Jezowski, A.; Szewczyk, D.","Polymorphism of 2-Adamantanone","Crystal Growth & Design","2014","14","5","2626","","10.1021/cg500313m","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510489","6.8884","0.0018","10.83","0.003","10.658","0.003","90","","90","","90","","795.1","0.4","190","","190","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","0.5","","Negrier, P.; Barrio, M.; Romanini, M.; Tamarit, J. Ll.; Mondieig, D.; Krivchikov, A. I.; Kepinski, L.; Jezowski, A.; Szewczyk, D.","Polymorphism of 2-Adamantanone","Crystal Growth & Design","2014","14","5","2626","","10.1021/cg500313m","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510490","10.473","0.0017","14.66","0.002","15.205","0.003","104.618","0.006","98.828","0.006","99.501","0.006","2180.9","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cu2 N7 O16 Tb -","- C35 H38 Cu2 N7 O16 Tb -","- C70 H76 Cu4 N14 O32 Tb2 -","2","1","","Ghosh, Soumavo; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Linker Stoichiometry-Controlled Stepwise Supramolecular Growth of a Flexible Cu2Tb Single Molecule Magnet from Monomer to Dimer to One-Dimensional Chain","Crystal Growth & Design","2014","14","5","2588","","10.1021/cg500290m","","","0.71073","MoKα","","0.0582","0.0495","","","0.139","0.1507","","","","","","1.069","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510491","10.601","0.005","14.724","0.005","16.269","0.005","77.979","0.005","85.861","0.005","82.682","0.005","2460.8","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H92 Cu4 N16 O34 Tb2 -","- C80 H84 Cu4 N16 O34 Tb2 -","- C80 H84 Cu4 N16 O34 Tb2 -","1","0.5","","Ghosh, Soumavo; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Linker Stoichiometry-Controlled Stepwise Supramolecular Growth of a Flexible Cu2Tb Single Molecule Magnet from Monomer to Dimer to One-Dimensional Chain","Crystal Growth & Design","2014","14","5","2588","","10.1021/cg500290m","","","0.71073","MoKα","","0.0817","0.0694","","","0.1884","0.2095","","","","","","1.062","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510492","15.369","0.01","25.744","0.017","15.842","0.015","90","","112.697","0.007","90","","5783","8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 Cu2 N9 O16 Tb -","- C45 H44 Cu2 N9 O16 Tb -","- C180 H176 Cu8 N36 O64 Tb4 -","4","0.5","","Ghosh, Soumavo; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Linker Stoichiometry-Controlled Stepwise Supramolecular Growth of a Flexible Cu2Tb Single Molecule Magnet from Monomer to Dimer to One-Dimensional Chain","Crystal Growth & Design","2014","14","5","2588","","10.1021/cg500290m","","","0.71073","MoKα","","0.0974","0.0698","","","0.2025","0.234","","","","","","1.065","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510493","7.845","0.0009","12.8786","0.0015","13.0629","0.0016","64.44","0.003","88.745","0.004","81.227","0.004","1175.3","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Cl4 Cu2 N14 O8 -","- C40 H54 Cl4 Cu2 N14 O8 -","- C40 H54 Cl4 Cu2 N14 O8 -","1","0.5","","Bhattacharya, Sudeshna; Sengupta, Satirtha; Bala, Sukhen; Goswami, Arijit; Ganguly, Sumi; Mondal, Raju","Pyrazole-Based Metallogels Showing an Unprecedented Colorimetric Ammonia Gas Sensing through Gel-to-Gel Transformation with a Rare Event of Time-Dependent Morphology Transformation","Crystal Growth & Design","2014","14","5","2366","","10.1021/cg5000827","","","0.71073","MoKα","","0.0639","0.0405","","","0.0833","0.0921","","","","","","1.051","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510494","6.1351","0.0006","6.3115","0.0006","9.1906","0.0009","95.537","0.002","96.302","0.002","116.231","0.002","313.07","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 Na2 O12 -","- C8 H14 Na2 O12 -","- C8 H14 Na2 O12 -","1","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0347","0.0314","","","0.08","0.082","","","","","","1.104","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510495","6.1285","0.0004","7.7676","0.0005","8.0964","0.0006","115.7","0.001","101.316","0.001","103.008","0.001","318.87","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 Na2 O12 -","- C8 H14 Na2 O12 -","- C8 H14 Na2 O12 -","1","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0294","0.0279","","","0.0754","0.0767","","","","","","1.069","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510496","6.2679","0.0005","15.3935","0.0011","6.3897","0.0005","90","","105.5","0.001","90","","594.09","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 K2 O10 -","- C8 H10 K2 O10 -","- C16 H20 K4 O20 -","2","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0274","0.026","","","0.0652","0.0664","","","","","","1.075","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510497","6.419","0.0005","7.9361","0.0006","8.911","0.0007","103.757","0.001","104.137","0.001","106.945","0.001","397.04","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H16 Ba2 O14 -","- C8 H16 Ba2 O14 -","- C8 H16 Ba2 O14 -","1","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0157","0.0156","","","0.043","0.0431","","","","","","1.08","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510498","18.1275","0.0012","13.5852","0.0009","9.9982","0.0007","90","","120.526","0.001","90","","2120.9","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Na3 O19 -","- C16 H19 Na3 O19 -","- C64 H76 Na12 O76 -","4","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0412","0.0384","","","0.0975","0.0993","","","","","","1.122","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510499","8.1312","0.0002","25.5646","0.0011","8.135","0.0004","90","","117.704","0.002","90","","1497.17","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 O18 U -","- C24 H38 O18 U -","- C48 H76 O36 U2 -","2","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0449","0.0316","","","0.0739","0.0786","","","","","","1.055","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510500","20.6245","0.0007","16.1559","0.0003","16.2561","0.0006","90","","90","","90","","5416.7","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H27 N2 O8.75 U -","- C23 H27 N2 O8.75 U -","- C184 H216 N16 O70 U8 -","8","1","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.048","0.0319","","","0.0818","0.0874","","","","","","0.994","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510501","12.3287","0.0011","23.6161","0.0013","16.4473","0.0015","90","","105.034","0.004","90","","4624.8","0.6","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C34 H72 O29 U3 -","- C26 H39 O21 U3 -","- C104 H156 O84 U12 -","4","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0853","0.0716","","","0.2115","0.2189","","","","","","1.055","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510502","25.5369","0.0015","7.9206","0.0005","16.843","0.0006","90","","113.677","0.003","90","","3120","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H35 O16 Tb U -","- C24 H35 O16 Tb U -","- C96 H140 O64 Tb4 U4 -","4","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0348","0.0285","","","0.0764","0.0784","","","","","","1.021","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510503","25.4173","0.0009","15.8195","0.0003","28.8395","0.001","90","","110.241","0.0017","90","","10879.9","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H106 O59 U8 -","- C72 H90 O59 U8 -","- C288 H360 O236 U32 -","4","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0794","0.0458","","","0.1048","0.1134","","","","","","1.023","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510504","19.2648","0.0004","14.8909","0.0002","20.418","0.0004","90","","94.5172","0.0011","90","","5839.12","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 O61 U8 -","- C72 H102 O61 U8 -","- C144 H204 O122 U16 -","2","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0441","0.033","","","0.089","0.0918","","","","","","1.135","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510505","16.5835","0.0005","20.1557","0.0007","21.1177","0.0004","88.6196","0.0018","87.0438","0.0018","79.7935","0.0015","6936.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C202 H302 Cu2 N4 O133 U16 -","- C202 H292 Cu2 N4 O133 U16 -","- C202 H292 Cu2 N4 O133 U16 -","1","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0615","0.0378","","","0.0854","0.0913","","","","","","1.008","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510506","24.227","0.0009","24.227","0.0009","15.9191","0.0004","90","","90","","90","","9343.7","0.5","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H170 Cu4 O89 U8 -","- C96 H120 Cu4 O89 U8 -","- C192 H240 Cu8 O178 U16 -","2","0.25","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0429","0.0394","","","0.1035","0.1056","","","","","","1.033","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510507","17.7344","0.0007","19.4751","0.0005","27.1156","0.0011","83.831","0.003","87.186","0.002","82.214","0.002","9219.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H166 Cu6 O89 U10 -","- C120 H150 Cu6 O89 U10 -","- C240 H300 Cu12 O178 U20 -","2","1","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0868","0.061","","","0.1742","0.1865","","","","","","1.015","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510508","11.1939","0.0013","11.8157","0.0016","12.0646","0.0017","110.959","0.013","106.648","0.011","104.205","0.011","1315.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N6 O4 S5 -","- C22 H24 N6 O4 S5 -","- C44 H48 N12 O8 S10 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0927","0.0601","","","0.1091","0.1279","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510509","7.5147","0.0005","9.0185","0.0008","12.1146","0.0007","90.801","0.006","98.642","0.005","109.424","0.007","763.7","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Cl N3 O5 S2 -","- C11 H14 Cl N3 O5 S2 -","- C22 H28 Cl2 N6 O10 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0792","0.0535","","","0.0998","0.1168","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510510","14.6126","0.0004","7.3778","0.0002","15.9027","0.0004","90","","95.712","0.002","90","","1705.94","0.08","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H16 Cl N3 O6 S2 -","- C11 H16 Cl N3 O6 S2 -","- C44 H64 Cl4 N12 O24 S8 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0527","0.0418","","","0.0698","0.0747","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510511","23.7103","0.0011","4.45641","0.00017","25.3321","0.0007","90","","95.947","0.003","90","","2662.26","0.18","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C11 H12 Br N3 S2 -","- C11 H12 Br N3 S2 -","- C88 H96 Br8 N24 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.054","0.0358","","","0.0733","0.0832","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510512","8.941","0.003","10.074","0.003","13.822","0.004","92.594","0.018","95.21","0.02","105.985","0.017","1188.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C44 H44 N12 S8 -","4","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0822","0.048","","","0.1026","0.1116","","","","","","1.087","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510513","11.681","0.0019","8.5182","0.0019","30.608","0.006","90","","100.777","0.013","90","","2991.8","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 N3 O4 P S2 -","- C11 H14 N3 O4 P S2 -","- C88 H112 N24 O32 P8 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0812","0.0469","","","0.0764","0.0823","","","","","","1.012","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510514","10.551","0.003","10.6973","0.0019","13.648","0.003","108.804","0.009","96.519","0.011","91.481","0.008","1445.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N4 O3.5 S2 -","- C11 H13 N4 O3.5 S2 -","- C44 H52 N16 O14 S8 -","4","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0763","0.0459","","","0.071","0.0789","","","","","","1.053","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510515","7.0435","0.0005","9.4168","0.0009","12.3566","0.001","85.815","0.007","88.897","0.007","71.023","0.008","772.96","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N3 O5 S3 -","- C11 H15 N3 O5 S3 -","- C22 H30 N6 O10 S6 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0798","0.0604","","","0.1185","0.1327","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510516","5.7601","0.0007","8.871","0.001","12.097","0.0014","103.779","0.006","96.286","0.006","95.705","0.006","591.67","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C22 H22 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.103","0.0513","","","0.1006","0.1176","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510517","19.502","0.003","6.1168","0.0007","23.967","0.003","90","","105.989","0.016","90","","2748.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N4 O3 S2 -","- C11 H12 N4 O3 S2 -","- C88 H96 N32 O24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.164","0.0859","","","0.1294","0.1528","","","","","","1.213","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510518","11.3183","0.0004","5.7063","0.0002","20.5287","0.0006","90","","113.537","0.002","90","","1215.55","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C44 H44 N12 S8 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0439","0.0371","","","0.102","0.1066","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510519","9.64","0.0006","15.4273","0.0009","19.176","0.0011","73.592","0.005","86.432","0.005","89.798","0.005","2730.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cl N3 S2 -","- C11 H12 Cl N3 S2 -","- C88 H96 Cl8 N24 S16 -","8","4","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0712","0.0451","","","0.0734","0.0867","","","","","","0.995","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510520","8.6544","0.0009","9.2851","0.0009","10.0278","0.0012","65.682","0.005","75.992","0.005","64.045","0.004","658.36","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cl N3 S2 -","- C11 H12 Cl N3 S2 -","- C22 H24 Cl2 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0405","0.033","","","0.0683","0.073","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510521","14.3819","0.001","7.2911","0.0004","31.79","0.002","90","","94.778","0.006","90","","3321.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 Br N3 O3 S2 -","- C11 H18 Br N3 O3 S2 -","- C88 H144 Br8 N24 O24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.1564","0.0587","","","0.071","0.0974","","","","","","0.959","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510522","16.8654","0.001","6.1269","0.0003","24.5611","0.0014","90","","108.596","0.007","90","","2405.5","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C88 H88 N24 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.061","0.0375","","","0.0729","0.0796","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510523","11.2755","0.0008","18.3129","0.0014","14.0015","0.001","90","","103.005","0.004","90","","2817","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N4 O3 S2 -","- C11 H12 N4 O3 S2 -","- C88 H96 N32 O24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.1479","0.0557","","","0.0676","0.0873","","","","","","0.986","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510524","9.579","0.0012","9.579","0.0012","12.11","0.002","90","","90","","90","","1111.2","0.3","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C9 H13 N O3 S Zn -","- C9 H13 N O3 S Zn -","- C36 H52 N4 O12 S4 Zn4 -","4","1","","Yao, Jia; Mo, Yong-Hui; Chen, Jia-Mei; Lu, Tong-Bu","New Approach to Reduce the Overhigh Plasma Concentration of Captopril by the Formation of Zinc Coordination Polymer","Crystal Growth & Design","2014","14","5","2599","","10.1021/cg500302h","","","1.54184","CuKα","","0.0691","0.0613","","","0.1511","0.1589","","","","","","1.017","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510525","5.2569","0.0003","9.7336","0.0008","26.8467","0.0016","90","","90","","90","","1373.71","0.16","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Cs2 Mo3 O12 Th -","- Cs2 Mo3 O12 Th -","- Cs8 Mo12 O48 Th4 -","4","0.5","","Xiao, Bin; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Unexpected Structural Complexity in Cesium Thorium Molybdates","Crystal Growth & Design","2014","14","5","2677","","10.1021/cg500418e","","","0.71073","MoKα","","0.0949","0.0536","","","0.1072","0.1298","","","","","","1.104","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510526","12.6902","0.0006","6.6202","0.0003","11.4593","0.0007","90","","90.146","0.006","90","","962.71","0.09","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cs4 Mo4 O16 Th -","- Cs4 Mo4 O16 Th -","- Cs8 Mo8 O32 Th2 -","2","0.5","","Xiao, Bin; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Unexpected Structural Complexity in Cesium Thorium Molybdates","Crystal Growth & Design","2014","14","5","2677","","10.1021/cg500418e","","","0.71073","MoKα","","0.0473","0.0321","","","0.0627","0.0688","","","","","","1.063","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510527","12.4439","0.0005","14.9301","0.0008","15.9617","0.0009","78.21","0.005","78.697","0.004","77.997","0.004","2802.7","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- Cs8 Mo28 O112 Th12 -","- Cs8 Mo28 O112 Th12 -","- Cs8 Mo28 O112 Th12 -","1","1","","Xiao, Bin; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Unexpected Structural Complexity in Cesium Thorium Molybdates","Crystal Growth & Design","2014","14","5","2677","","10.1021/cg500418e","","","0.71073","MoKα","","0.0284","0.0243","","","0.0458","0.0473","","","","","","0.949","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510528","7.6428","0.0004","6.1654","0.0003","29.1997","0.0016","90","","91.079","0.002","90","","1375.67","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Pentafluorophenyl-5-phenyl-penta-1,4-dien-3-one","1-Pentafluorophenyl-5-phenyl-penta-1,4-dien-3-one","","- C17 H9 F5 O -","- C17 H9 F5 O -","- C68 H36 F20 O4 -","4","1","","Schwarzer, Anke; Weber, Edwin","Penta- and Decafluorinated Dibenzalacetones: Synthesis, Crystal Structure, and Cocrystallization Experiments","Crystal Growth & Design","2014","14","5","2335","","10.1021/cg5000342","","","0.71073","MoKα","","0.055","0.0428","","","0.1086","0.1175","","","","","","1.058","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510529","5.6259","0.0008","24.346","0.004","21.186","0.003","90","","90.348","0.005","90","","2901.8","0.8","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one","1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one","","- C17 H4 F10 O -","- C17 H4 F10 O -","- C136 H32 F80 O8 -","8","2","","Schwarzer, Anke; Weber, Edwin","Penta- and Decafluorinated Dibenzalacetones: Synthesis, Crystal Structure, and Cocrystallization Experiments","Crystal Growth & Design","2014","14","5","2335","","10.1021/cg5000342","","","0.71073","MoKα","","0.0659","0.0472","","","0.1225","0.135","","","","","","1.113","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510530","7.4146","0.0012","11.1034","0.0017","17.304","0.003","86.917","0.008","79.945","0.007","74.085","0.008","1348.9","0.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one 1,5-Diphenyl-penta-1,4-dien-3-one","1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one 1,5-Diphenyl-penta-1,4-dien-3-one","","- C34 H18 F10 O2 -","- C34 H18 F10 O2 -","- C68 H36 F20 O4 -","2","1","","Schwarzer, Anke; Weber, Edwin","Penta- and Decafluorinated Dibenzalacetones: Synthesis, Crystal Structure, and Cocrystallization Experiments","Crystal Growth & Design","2014","14","5","2335","","10.1021/cg5000342","","","0.71073","MoKα","","0.1119","0.0701","","","0.1689","0.1926","","","","","","1.082","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510531","6.084","0.0001","10.2978","0.0003","16.1737","0.0005","100.93","0.001","92.6382","0.001","95.9415","0.0015","987.35","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Droperidol ethanol solvate","1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl] -1,3-dihydro-2H-benzimidazol-2-one","","- C46 H50 F2 N6 O5 -","- C46 H50 F2 N6 O5 -","- C46 H50 F2 N6 O5 -","1","0.5","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","","0.71069","MoKα","","0.0794","0.0511","","","0.1228","0.1381","","","","","","1.02","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510532","6.087","0.0002","10.2177","0.0003","16.2642","0.0006","101.205","0.0011","92.7447","0.001","96.7569","0.0019","982.78","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","Droperidol acetonitrile solvate","1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl] -1,3-dihydro-2H-benzimidazol-2-one","","- C23 H23.5 F N3.5 O2 -","- C23 H23.5 F N3.5 O2 -","- C46 H47 F2 N7 O4 -","2","2","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","","0.71069","MoKα","","0.0915","0.0526","","","0.11","0.1285","","","","","","1.012","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510533","6.0504","0.0005","10.2207","0.0008","16.11","0.0014","101.397","0.002","93.445","0.003","97.022","0.002","965.62","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","droperidol methanol hemisolvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one methanol hemisolvate","","- C22.5 H24 F N3 O2.5 -","- C22.5 H24 F N3 O2.5 -","- C45 H48 F2 N6 O5 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","x-ray","0.71073","MoKα","","0.0993","0.0534","","","0.1237","0.1512","","","","","","1.011","","","","has coordinates,has disorder","301843","2025-08-21","01:58:35",""
"4510534","6.3199","0.0004","10.1525","0.0007","15.7463","0.0011","102.691","0.002","91.775","0.002","100.403","0.002","966.81","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","droperidol monohydrate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one monohydrate","","- C22 H24 F N3 O3 -","- C22 H24 F N3 O3 -","- C44 H48 F2 N6 O6 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","x-ray","0.71073","MoKα","","0.0852","0.06","","","0.1539","0.1721","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510535","6.2743","0.0003","10.156","0.0006","15.7786","0.0009","102.253","0.002","92.501","0.002","99.46","0.002","965.95","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","droperidol hemihydrate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one hemihydrate","","- C22 H23 F N3 O2.5 -","- C22 H23 F N3 O2.5 -","- C44 H46 F2 N6 O5 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","x-ray","0.71073","MoKα","","0.0916","0.0556","","","0.1361","0.1635","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510536","6.0673","0.0001","10.1884","0.0003","16.4237","0.0005","99.8303","0.0013","92.288","0.0012","95.6243","0.0018","993.86","0.05","173","2","173","2","","","","","","","","5","P 1","P 1","1","Droperidol nitromethane solvate","1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl] -1,3-dihydro-2H-benzimidazol-2-one","","- C22.5 H23.5 F N3.5 O3 -","- C22.5 H23.5 F N3.5 O3 -","- C45 H47 F2 N7 O6 -","2","2","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","","0.71069","MoKα","","0.0911","0.0546","","","0.1165","0.1346","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510537","6.278","0.0003","10.0865","0.0004","16.3969","0.0007","103.098","0.001","92.855","0.001","99.419","0.001","993.57","0.08","333","1","333","","","","","","","","","5","P -1","-P 1","2","droperidol","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one","","- C22 H22 F N3 O2 -","- C22 H22 F N3 O2 -","- C44 H44 F2 N6 O4 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","x-ray","0.71073","MoKα","","0.0955","0.0486","","","0.1209","0.1558","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510538","26.0229","0.0003","26.0229","0.0003","11.2044","0.0002","90","","90","","120","","6570.99","0.16","90","","90","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C234 H252 Cl18 N54 O54 -","18","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0287","0.0287","","","0.0314","0.0314","","","","","","1.562","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510539","6.4717","0.0005","7.9214","0.0007","8.6745","0.0007","72.412","0.008","86.116","0.007","69.625","0.008","397.04","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C14 H18 N6 O4 -","2","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0265","0.0265","","","0.0281","0.0281","","","","","","1.221","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510540","15.191","0.001","6.8256","0.0005","12.2154","0.0009","90","","98.478","0.006","90","","1252.75","0.16","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O2 -","- C13 H14 N4 O2 -","- C52 H56 N16 O8 -","4","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0296","0.0296","","","0.0336","0.0336","","","","","","1.565","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510541","7.018","0.0002","11.8624","0.0004","31.332","0.001","90","","90","","90","","2608.4","0.14","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C104 H96 Cl8 N24 O16 -","8","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0317","0.0317","","","0.0384","0.0384","","","","","","1.828","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510542","5.3682","0.0002","8.0654","0.0002","18.5394","0.0005","90","","92.938","0.003","90","","801.64","0.04","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C32 H36 N12 O4 -","4","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0276","0.0276","","","0.03","0.03","","","","","","1.573","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510543","12.497","0.004","5.8221","0.0009","16.191","0.002","90","","99.42","0.02","90","","1162.2","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C52 H48 N16 O4 -","4","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0469","0.0469","","","0.0523","0.0523","","","","","","1.814","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510544","6.978","0.001","11.921","0.002","29.198","0.006","90","","90","","90","","2428.8","0.7","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C104 H104 N24 O16 -","8","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","MoKα","","0.0248","0.0248","","","0.0305","0.0305","","","","","","1.36","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510545","9.5229","0.0009","4.6958","0.0005","16.17","0.002","90","","95.509","0.009","90","","719.74","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O -","- C7 H7 N3 O -","- C28 H28 N12 O4 -","4","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0314","0.0314","","","0.036","0.036","","","","","","1.574","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510546","7.3941","0.0015","15.28","0.003","23.345","0.005","90","","106.3","0.03","90","","2531.5","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 Cl0 Mn3 N32 O4 W2 -","- C40 H24 Mn3 N32 O4 W2 -","- C80 H48 Mn6 N64 O8 W4 -","2","0.5","","Qian, Jun; Hu, Jingchun; Yoshikawa, Hirofumi; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","A Three-Dimensional Hetero-Bimetallic Coordination Polymer with Unusual (4,5)-Connected Topology and Ferrimagnetic Property Based on Octacyanotungstate and Polydentate Ligand","Crystal Growth & Design","2014","14","5","2288","","10.1021/cg4019053","","","0.71073","MoKα","","0.0486","0.0434","","","0.0882","0.0907","","","","","","1.16","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510547","13.637","0.002","14.171","0.002","17.781","0.003","91.749","0.003","93.012","0.002","111.296","0.002","3192.6","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 Cl8 Hg2 N4 S10 -","- C50 H58 Cl4 Hg2 N4 S10 -","- C100 H116 Cl8 Hg4 N8 S20 -","2","1","","Guzmán-Percástegui, Edmundo; Zakharov, Lev N.; Alvarado-Rodríguez, José G.; Carnes, Matthew E.; Johnson, Darren W.","Synthesis of a Self-Assembled Hg(II)-Dithiocarbamate Metallomacrocycle","Crystal Growth & Design","2014","14","5","2087","","10.1021/cg401894h","","","0.71073","MoKα","","0.0752","0.0497","","","0.1074","0.1165","","","","","","0.993","","","","has coordinates,has disorder","179652","2020-10-21","18:00:00",""
"4510548","20.2423","0.0035","11.6","0.0017","3.50909","0.00067","90","","104.707","0.02","90","","797","0.2","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","Agnpz","Trimeric silver(I) 4-nitropyrazolate","","- C9 H6 Ag3 N9 O6 -","- C9 H6 Ag3 N9 O6 -","- C18 H12 Ag6 N18 O12 -","2","0.5","","Bertolotti, Federica; Maspero, Angelo; Cervellino, Antonio; Guagliardi, Antonietta; Masciocchi, Norberto","Bending by Faulting: A Multiple Scale Study of Copper and Silver Nitropyrazolates","Crystal Growth & Design","2014","14","6","2913","","10.1021/cg500108g","powder diffraction","","0.775276","synchrotron","","","","","","","","","","14.9","","","","","","","has coordinates","209041","2020-10-21","18:00:00",""
"4510549","19.8406","0.0049","11.4434","0.0018","3.53756","0.00099","90","","104.545","0.029","90","","777.4","0.3","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","Cunpz","Trimeric copper(I) 4-nitropyrazolate","","- C9 H6 Cu3 N9 O6 -","- C9 H6 Cu3 N9 O6 -","- C18 H12 Cu6 N18 O12 -","2","0.5","","Bertolotti, Federica; Maspero, Angelo; Cervellino, Antonio; Guagliardi, Antonietta; Masciocchi, Norberto","Bending by Faulting: A Multiple Scale Study of Copper and Silver Nitropyrazolates","Crystal Growth & Design","2014","14","6","2913","","10.1021/cg500108g","powder diffraction","","0.775276","synchrotron","","","","","","","","","","","","","","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510550","10.5804","0.0012","15.7399","0.0018","9.0114","0.0011","90","","97.649","0.011","90","","1487.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-bis(salicylidene)carbohydrazide","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","1","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.067","0.0416","","","0.1021","0.1104","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510551","14.5908","0.0006","9.3764","0.0004","10.3283","0.0003","90","","90","","90","","1413.01","0.09","295","2","295","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1,5-bis(salicylidene)carbohydrazide","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.0502","0.0368","","","0.0855","0.091","","","","","","1.093","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510552","9.4272","0.0014","10.389","0.0015","14.37","0.003","90","","102.477","0.002","90","","1374.1","0.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-bis(salicylidene)carbohydrazide","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","0.5","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.1692","0.0738","","","0.1438","0.176","","","","","","0.862","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510553","4.5443","0.0005","12.2026","0.0015","27.359","0.004","90","","90","","90","","1517.1","0.3","295","2","295","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","1,5-bis(salicylidene)carbohydrazide monohydrate","","- C15 H16 N4 O4 -","- C15 H16 N4 O4 -","- C60 H64 N16 O16 -","4","0.5","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.091","0.0514","","","0.1136","0.1292","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510554","13.933","0.003","18.143","0.004","17.787","0.004","90","","103.01","0.03","90","","4380.9","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cd3 O18 -","- C42 H22 Cd3 O18 -","- C168 H88 Cd12 O72 -","4","1","","Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting","Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants","Crystal Growth & Design","2014","14","6","3035","","10.1021/cg500295r","","","0.71073","MoKα","","0.1003","0.085","","","0.1782","0.1888","","","","","","1.143","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510555","13.968","0.003","14.611","0.003","20.566","0.004","75.25","0.03","85.51","0.03","69","0.03","3788.9","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H57 Cd3 N4 O16.5 -","- C64 H48 Cd3 N4 O16 -","- C128 H96 Cd6 N8 O32 -","2","1","","Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting","Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants","Crystal Growth & Design","2014","14","6","3035","","10.1021/cg500295r","","","0.71073","MoKα","","0.109","0.0692","","","0.1765","0.201","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510556","12.072","0.002","14.124","0.003","14.338","0.003","104.16","0.03","104.51","0.03","114.4","0.03","1980.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H61 Cd3 N6 O17.5 S2 -","- C74 H42 Cd3 N6 O16.5 S2 -","- C74 H42 Cd3 N6 O16.5 S2 -","1","0.5","","Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting","Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants","Crystal Growth & Design","2014","14","6","3035","","10.1021/cg500295r","","","0.71073","MoKα","","0.0701","0.0622","","","0.1905","0.1994","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510557","9.3011","0.0019","13.991","0.003","19.562","0.004","95.54","0.03","99.9","0.03","103.17","0.03","2417.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H78 Cd6 N4 O33 -","- C104 H60 Cd6 N4 O33 -","- C104 H60 Cd6 N4 O33 -","1","0.5","","Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting","Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants","Crystal Growth & Design","2014","14","6","3035","","10.1021/cg500295r","","","0.71073","MoKα","","0.0493","0.0368","","","0.0958","0.1044","","","","","","1.011","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510558","12.8225","0.0008","13.3153","0.0007","13.7615","0.0009","65.496","0.006","64.074","0.007","61.25","0.006","1789.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N4 O20 P4 -","- C24 H44 N4 O20 P4 -","- C48 H88 N8 O40 P8 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion–Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate–Water Tetramer [(SO4)2–(H2O)2]4–","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.0705","0.0545","","","0.1604","0.1864","","","","","","0.787","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510559","12.8725","0.0014","12.8725","0.0014","13.6616","0.0019","90","","90","","120","","1960.5","0.4","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H80 Cl9 N8 Na O50 -","- C48 H80 Cl9 N8 Na O50 -","- C48 H80 Cl9 N8 Na O50 -","1","0.166667","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.1434","0.1043","","","0.3177","0.3762","","","","","","1.207","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510560","10.5903","0.0003","12.1999","0.0004","12.693","0.0004","92.034","0.002","107.203","0.002","110.886","0.002","1445.28","0.08","298","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N4 O12 S2 -","- C24 H36 N4 O12 S2 -","- C48 H72 N8 O24 S4 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion–Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate–Water Tetramer [(SO4)2–(H2O)2]4–","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.075","0.0667","","","0.1885","0.1983","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510561","12.365","0.003","12.677","0.002","12.679","0.002","72.785","0.016","62.375","0.019","65.503","0.019","1589.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N4 O15 S3 -","- C24 H36 N4 O15 S3 -","- C48 H72 N8 O30 S6 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion–Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate–Water Tetramer [(SO4)2–(H2O)2]4–","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.0809","0.0562","","","0.1712","0.206","","","","","","0.762","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510562","11.7044","0.0004","12.3409","0.0004","12.4485","0.0004","65.908","0.002","85.936","0.002","84.8","0.002","1633.58","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 N8 O16 -","- C24 H36 N8 O16 -","- C48 H72 N16 O32 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion–Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate–Water Tetramer [(SO4)2–(H2O)2]4–","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.091","0.0634","","","0.1872","0.2096","","","","","","1.161","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510563","20.2889","0.0008","16.9602","0.0007","8.5506","0.0004","90","","90","","90","","2942.3","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Hexaphenyldisilane","Hexaphenyldisilane","","- C36 H30 Si2 -","- C36 H30 Si2 -","- C144 H120 Si8 -","4","1","","Bernert, Thomas; Winkler, Björn; Krysiak, Yasar; Fink, Lothar; Berger, Matthias; Alig, Edith; Bayarjargal, Lkhamsuren; Milman, Victor; Ehm, Lars; Stephens, Peter W.; Auner, Norbert; Lerner, Hans-Wolfram","Determination of the Crystal Structure of Hexaphenyldisilane from Powder Diffraction Data and Its Thermodynamic Properties","Crystal Growth & Design","2014","14","6","2937","","10.1021/cg5002286","powder diffraction","","0.7","synchrotron","","","","","","","","","1.505","2.233","","","","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510565","9.077","0.007","12.808","0.01","7.145","0.004","90","","90","","90","","830.7","1","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-nitro-thiobenzamide","","","- C7 H6 N2 O2 S -","- C7 H6 N2 O2 S -","- C28 H24 N8 O8 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.045","0.0412","","","0.1075","0.1116","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510566","8.394","0.002","11.176","0.003","18.168","0.005","90","","90","","90","","1704.4","0.8","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3-methoxy-thiobenzamide","","","- C8 H9 N O S -","- C8 H9 N O S -","- C64 H72 N8 O8 S8 -","8","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0723","0.0448","","","0.1058","0.1194","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510567","19.121","0.005","10.546","0.002","7.6632","0.0018","90","","100.382","0.006","90","","1520","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chlorothiobenzamide","","","- C7 H6 Cl N S -","- C7 H6 Cl N S -","- C56 H48 Cl8 N8 S8 -","8","2","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0828","0.0615","","","0.1677","0.1792","","","","","","1.131","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510568","3.8217","0.0017","10.562","0.005","15.907","0.007","90","","93.636","0.009","90","","640.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 S -","- C6 H6 N2 S -","- C24 H24 N8 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0368","0.0313","","","0.0797","0.084","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510569","9.2213","0.0011","15.1707","0.0017","23.499","0.003","90","","92.263","0.003","90","","3284.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-chloro-thiobenzamide","","","- C7 H6 Cl N S -","- C7 H6 Cl N S -","- C112 H96 Cl16 N16 S16 -","16","4","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0926","0.0428","","","0.0871","0.1069","","","","","","1.003","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510570","11.531","0.002","20.333","0.005","14.477","0.003","90","","107.127","0.007","90","","3243.8","1.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-nitro-thiobenzamide","","","- C7 H6 N2 O2 S -","- C7 H6 N2 O2 S -","- C112 H96 N32 O32 S16 -","16","4","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0624","0.0391","","","0.0927","0.1067","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510571","3.9782","0.0002","12.3361","0.0006","16.5248","0.0009","86.113","0.002","87.119","0.002","82.639","0.002","801.72","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","4-nitro-thiobenzamide","","","- C7 H6 N2 O2 S -","- C7 H6 N2 O2 S -","- C28 H24 N8 O8 S4 -","4","2","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0547","0.0364","","","0.0848","0.0907","","","","","","1.366","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510572","5.8027","0.0016","7.421","0.003","15.595","0.006","90","","94.027","0.011","90","","669.9","0.4","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N2 S -","- C6 H6 N2 S -","- C24 H24 N8 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0792","0.0405","","","0.0938","0.107","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510573","5.9388","0.0016","18.04","0.004","14.087","0.004","90","","100.07","0.009","90","","1486","0.7","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 F N S -","- C7 H6 F N S -","- C56 H48 F8 N8 S8 -","8","2","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0687","0.0497","","","0.1171","0.1291","","","","","","1.045","","","","has coordinates,has disorder","179652","2020-10-21","18:00:00",""
"4510574","3.9306","0.0005","31.84","0.004","10.9924","0.0014","90","","90.381","0.002","90","","1375.7","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 F N S -","- C7 H6 F N S -","- C56 H48 F8 N8 S8 -","8","4","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.113","0.0787","","","0.1825","0.2054","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510575","4.0185","0.0008","10.95","0.002","16.068","0.003","94.801","0.005","94.631","0.003","90.063","0.004","702.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","4-fluoro-thiobenzamide","","","- C7 H6 F N S -","- C7 H6 F N S -","- C28 H24 F4 N4 S4 -","4","2","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.06","0.0427","","","0.1054","0.1156","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510576","5.8629","0.0005","10.1168","0.001","14.1318","0.0015","90","","96.302","0.003","90","","833.15","0.14","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-methoxy-thiobenzamide","","","- C8 H9 N O S -","- C8 H9 N O S -","- C32 H36 N4 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0669","0.0419","","","0.1049","0.1175","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510577","4.042","0.0008","5.6966","0.0012","16.617","0.003","91.143","0.005","95.903","0.005","92.81","0.005","380.01","0.13","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 Cl N S -","- C7 H6 Cl N S -","- C14 H12 Cl2 N2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0529","0.0389","","","0.1032","0.1112","","","","","","1.182","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510578","7.2614","0.0011","11.0313","0.0018","9.6234","0.0015","90","","95.413","0.003","90","","767.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-methyl-thiobenzamide","","","- C8 H9 N S -","- C8 H9 N S -","- C32 H36 N4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0302","0.0272","","","0.0725","0.075","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510579","7.8201","0.0013","8.1694","0.0014","10.2669","0.0018","106.698","0.002","103.2","0.002","90.842","0.002","609.38","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 N O10 U -","- C8 H7 N O10 U -","- C16 H14 N2 O20 U2 -","2","1","","Cantos, Paula M.; Cahill, Christopher L.","A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species","Crystal Growth & Design","2014","14","6","3044","","10.1021/cg500304d","","x-ray","0.71073","MoKα","","0.0244","0.0233","","","0.0565","0.0571","","","","","","1.035","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510580","9.5699","0.0003","11.0566","0.0004","14.7236","0.0005","94.826","0.001","95.469","0.001","112.878","0.001","1416.3","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 N6 O32 U3 -","- C44 H42 N6 O32 U3 -","- C44 H42 N6 O32 U3 -","1","0.5","","Cantos, Paula M.; Cahill, Christopher L.","A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species","Crystal Growth & Design","2014","14","6","3044","","10.1021/cg500304d","","x-ray","0.71073","MoKα","","0.0526","0.0343","","","0.0647","0.0711","","","","","","1.028","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510581","10.6646","0.0011","11.0897","0.0011","14.724","0.002","106.806","0.002","95.727","0.002","113.001","0.001","1489.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N3 O18 U2 -","- C22 H24 N3 O18 U2 -","- C44 H48 N6 O36 U4 -","2","1","","Cantos, Paula M.; Cahill, Christopher L.","A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species","Crystal Growth & Design","2014","14","6","3044","","10.1021/cg500304d","","x-ray","0.71073","MoKα","","0.0294","0.023","","","0.0501","0.0524","","","","","","1.034","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510582","11.8861","0.0003","20.3996","0.0006","9.7156","0.0003","90","","99.59","","90","","2322.84","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O14 U -","- C19 H15 N3 O14 U -","- C76 H60 N12 O56 U4 -","4","1","","Cantos, Paula M.; Cahill, Christopher L.","A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species","Crystal Growth & Design","2014","14","6","3044","","10.1021/cg500304d","","x-ray","0.71073","MoKα","","0.0547","0.0349","","","0.0709","0.0779","","","","","","1.025","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510583","18.446","0.005","21.371","0.005","25.362","0.005","69.974","0.005","83.293","0.005","64.7","0.005","8487","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C135 H181 Cl9 Co9 N36 O9 P3 -","- C135 H181 Cl9 Co9 N36 O9 P3 -","- C270 H362 Cl18 Co18 N72 O18 P6 -","2","1","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli","A 30-Membered Nonanuclear Cobalt(II) Macrocycle Containing Phosphonate-Bridged Trinuclear Subunits","Crystal Growth & Design","2014","14","6","2725","","10.1021/cg5003594","","","0.71069","MoKα","","0.1151","0.1038","","","0.3158","0.3387","","","","","","1.137","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510584","7.749","0.016","6.056","0.012","10.71","0.02","90","","107.694","0.017","90","","478.8","1.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27.4 H23 N0.6 -","- C27.4 H23 N0.6 -","- C27.4 H23 N0.6 -","1","0.5","","Kupka, A.; Schauerte, C.; Merz, K.","Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine","Crystal Growth & Design","2014","14","6","2985","","10.1021/cg5002623","","","0.71073","MoKα","","0.0696","0.0503","","","0.1035","0.1149","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510585","7.749","0.016","6.056","0.012","10.71","0.02","90","","107.694","0.017","90","","478.8","1.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H23 N -","- C27 H23 N -","- C27 H23 N -","1","0.5","","Kupka, A.; Schauerte, C.; Merz, K.","Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine","Crystal Growth & Design","2014","14","6","2985","","10.1021/cg5002623","","","0.71073","MoKα","","0.0725","0.0534","","","0.1136","0.1255","","","","","","1.033","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510586","7.897","0.004","5.861","0.002","10.737","0.005","90","","108.062","0.019","90","","472.5","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H11 N -","- C13 H11 N -","- C26 H22 N2 -","2","1","","Kupka, A.; Schauerte, C.; Merz, K.","Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine","Crystal Growth & Design","2014","14","6","2985","","10.1021/cg5002623","","","0.71073","MoKα","","0.0524","0.0485","","","0.1038","0.1075","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510587","36.479","0.001","36.479","0.001","36.479","0.001","90","","90","","90","","48543","2","173","2","173","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C10 H2 Cu O5 S2 -","- C10 H2 Cu O5 S2 -","- C480 H96 Cu48 O240 S96 -","48","0.25","","Huang, Yumei; Zhang, Bingguang; Duan, Jingui; Liu, Wenlong; Zheng, Xiaofang; Wen, Lili; Ke, Xiaohuan; Li, Dongfeng","Two Copper(II) Metal‒Organic Frameworks with Nanoporous Channels and Vacant Coordination Sites","Crystal Growth & Design","2014","14","6","2866","","10.1021/cg500175k","","","0.71073","MoKα","","0.1442","0.095","","","0.2289","0.251","","","","","","1.035","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510588","20.4434","0.0014","20.4434","0.0014","20.4434","0.0014","90","","90","","90","","8544","1","173","2","173","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C40 H8 Cl Cu4 O16 S8 -","- C40 H8 Cl Cu4 O16 S8 -","- C120 H24 Cl3 Cu12 O48 S24 -","3","0.0625","","Huang, Yumei; Zhang, Bingguang; Duan, Jingui; Liu, Wenlong; Zheng, Xiaofang; Wen, Lili; Ke, Xiaohuan; Li, Dongfeng","Two Copper(II) Metal‒Organic Frameworks with Nanoporous Channels and Vacant Coordination Sites","Crystal Growth & Design","2014","14","6","2866","","10.1021/cg500175k","","","0.71073","MoKα","","0.0244","0.0221","","","0.0605","0.061","","","","","","1.083","","","","has coordinates,has disorder","179652","2020-10-21","18:00:00",""
"4510589","10.385","0.005","32.06","0.005","31.248","0.005","90","","96.776","0.005","90","","10331","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 Ag3 Mo12 N14 O40 P -","- C18 H10 Ag3 Mo12 N14 O40 P -","- C144 H80 Ag24 Mo96 N112 O320 P8 -","8","1","","Li, Meng-Ting; Sha, Jing-Quan; Zong, Xi-Ming; Sun, Jing-Wen; Yan, Peng-Fei; Li, Liang; Yang, Xiao-Ning","Assembly of Polyoxometalate-Based Hybrids with Different Helical Channels upon Subtle Ligand Variation","Crystal Growth & Design","2014","14","6","2794","","10.1021/cg500045q","","","0.71069","MoKα","","0.0314","0.0245","","","0.0513","0.0537","","","","","","1.056","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510590","11.83","0.005","12.709","0.005","14.789","0.005","105.033","0.005","99.809","0.005","115.518","0.005","1833.6","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Ag6 Co N28 O42 W12 -","- C36 H26 Ag6 Co N28 O42 W12 -","- C36 H26 Ag6 Co N28 O42 W12 -","1","0.5","","Li, Meng-Ting; Sha, Jing-Quan; Zong, Xi-Ming; Sun, Jing-Wen; Yan, Peng-Fei; Li, Liang; Yang, Xiao-Ning","Assembly of Polyoxometalate-Based Hybrids with Different Helical Channels upon Subtle Ligand Variation","Crystal Growth & Design","2014","14","6","2794","","10.1021/cg500045q","","","0.71069","MoKα","","0.1811","0.1022","","","0.2434","0.2915","","","","","","1.038","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510591","12.387","0.005","13.14","0.005","14.969","0.005","104.87","0.005","99.856","0.005","116.097","0.005","1998.3","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H20 Ag7 Ge N28 O47 W12 -","- C36 H20 Ag7 Ge N28 O47 W12 -","- C36 H20 Ag7 Ge N28 O47 W12 -","1","0.5","","Li, Meng-Ting; Sha, Jing-Quan; Zong, Xi-Ming; Sun, Jing-Wen; Yan, Peng-Fei; Li, Liang; Yang, Xiao-Ning","Assembly of Polyoxometalate-Based Hybrids with Different Helical Channels upon Subtle Ligand Variation","Crystal Growth & Design","2014","14","6","2794","","10.1021/cg500045q","","","0.71069","MoKα","","0.0801","0.0713","","","0.141","0.1451","","","","","","1.203","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510592","13.473","0.0011","13.2684","0.0008","11.2407","0.0008","90","","111.707","0.009","90","","1867","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lornoxicam Mesylate salt","(3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-ol-1,1-dioxide) Mesylate","","- C14 H14 Cl N3 O7 S3 -","- C14 H14 Cl N3 O7 S3 -","- C56 H56 Cl4 N12 O28 S12 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.112","0.0507","","","0.0644","0.0828","","","","","","0.907","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510593","7.5577","0.0007","10.3747","0.0009","12.0879","0.0012","68.516","0.009","75.433","0.008","70.585","0.008","822.65","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Lornoxicam Ammonium salt","Ammonium (3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-one 1,1-dioxide)","","- C13 H13 Cl N4 O4 S2 -","- C13 H13 Cl N4 O4 S2 -","- C26 H26 Cl2 N8 O8 S4 -","2","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.1309","0.0692","","","0.1318","0.1513","","","","","","0.972","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510594","13.2445","0.0009","13.0698","0.0007","11.6414","0.0008","90","","111.547","0.008","90","","1874.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lornoxicam Piperazine salt","Piperazinium (3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-one 1,1-dioxide)","","- C15 H16 Cl N4 O4 S2 -","- C15 H15 Cl N4 O4 S2 -","- C60 H60 Cl4 N16 O16 S8 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.0758","0.0406","","","0.0901","0.0984","","","","","","0.905","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510595","7.202","0.0004","13.542","0.0008","14.9987","0.0007","90","","90","","90","","1462.82","0.14","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Lornoxicam","(3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin- 4 - one 1,1-dioxide","","- C13 H10 Cl N3 O4 S2 -","- C13 H10 Cl N3 O4 S2 -","- C52 H40 Cl4 N12 O16 S8 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.0718","0.0466","","","0.0866","0.093","","","","","","0.935","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510596","6.8795","0.0005","9.1606","0.0008","26.201","0.002","90","","90","","90","","1651.2","0.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Lornoxicam Hydrochloride salt","(3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-enol 1,1-dioxide) hydrochloride salt","","- C13 H11 Cl2 N3 O4 S2 -","- C13 H11 Cl2 N3 O4 S2 -","- C52 H44 Cl8 N12 O16 S8 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.1345","0.0707","","","0.1404","0.1586","","","","","","0.98","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510597","21.1146","0.0011","37.6435","0.0019","28.2514","0.0014","90","","108.803","0.001","90","","21256.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H74 Cd2 N8 O12 -","- C92 H74 Cd2 N8 O12 -","- C736 H592 Cd16 N64 O96 -","8","1","","Qin, Ling; Ju, Ze-Min; Wang, Zhong-Jie; Meng, Fan-Dian; Zheng, He-Gen; Chen, Jin-Xi","Interpenetrated Metal‒Organic Framework with Selective Gas Adsorption and Luminescent Properties","Crystal Growth & Design","2014","14","6","2742","","10.1021/cg500269h","","","0.71073","MoKα","","0.066","0.0391","","","0.082","0.0852","","","","","","1.035","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4510598","21.46","0.002","8.4012","0.0009","15.337","0.0018","90","","110.639","0.005","90","","2587.6","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi6 Cl10 O12 Se4 -","- Bi6 Cl10 O12 Se4 -","- Bi24 Cl40 O48 Se16 -","4","1","","Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier","Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell","Crystal Growth & Design","2014","14","6","3026","","10.1021/cg500293w","","x-ray","0.71073","MoKα","","0.0427","0.0299","","","0.033","0.0442","","","","1.46","1.46","1.76","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510599","22.7052","0.0003","76.785","0.004","16.055","0.0003","90","","135","0.0017","90","","19792.3","1.3","293","","293","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Bi Cl O3 Se -","- Bi Cl O3 Se -","- Bi192 Cl192 O576 Se192 -","192","48","","Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier","Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell","Crystal Growth & Design","2014","14","6","3026","","10.1021/cg500293w","","x-ray","0.71073","MoKα","","0.1124","0.0612","","","0.0645","0.0694","","","","1.63","1.63","1.32","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510600","15.819","0.006","17.871","0.007","15.857","0.006","90","","90","","90","","4483","3","293","","293","","","","","","","","","5","C c c b :1","C 2 2 -1ac","68","","","","- Bi10 Cl8 O36 Pb Se12 -","- Bi10 Cl8 O36 Pb Se12 -","- Bi40 Cl32 O144 Pb4 Se48 -","4","","","Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier","Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell","Crystal Growth & Design","2014","14","6","3026","","10.1021/cg500293w","","x-ray","0.71073","MoKα","","0.1057","0.0667","","","0.0639","0.0859","","","","0.84","0.84","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510815","9.3808","0.0007","9.452","0.0007","15.2326","0.0009","96.684","0.005","97.284","0.005","105.658","0.006","1273.88","0.16","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O12 -","- C27 H27 N3 O12 -","- C54 H54 N6 O24 -","2","1","","Song, Jia-Xi; Yan, Yan; Yao, Jia; Chen, Jia-Mei; Lu, Tong-Bu","Improving the Solubility of Lenalidomide via Cocrystals","Crystal Growth & Design","2014","14","6","3069","","10.1021/cg500327s","","","1.54178","CuKα","","0.0566","0.0493","","","0.1373","0.1489","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510816","13.1592","0.0006","9.5499","0.0003","13.1773","0.0006","90","","116.414","0.006","90","","1483.1","0.13","285","14","285","14","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H17 N5 O4 -","- C14 H17 N5 O4 -","- C56 H68 N20 O16 -","4","1","","Song, Jia-Xi; Yan, Yan; Yao, Jia; Chen, Jia-Mei; Lu, Tong-Bu","Improving the Solubility of Lenalidomide via Cocrystals","Crystal Growth & Design","2014","14","6","3069","","10.1021/cg500327s","","","1.54184","CuKα","","0.0523","0.0445","","","0.1092","0.1165","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510817","8.643","0.0007","8.9364","0.0007","13.4003","0.001","86.348","0.006","79.738","0.007","65.391","0.008","925.88","0.14","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O7 -","- C20 H19 N3 O7 -","- C40 H38 N6 O14 -","2","1","","Song, Jia-Xi; Yan, Yan; Yao, Jia; Chen, Jia-Mei; Lu, Tong-Bu","Improving the Solubility of Lenalidomide via Cocrystals","Crystal Growth & Design","2014","14","6","3069","","10.1021/cg500327s","","","1.54178","CuKα","","0.0639","0.0498","","","0.1245","0.1361","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510818","42.39","0.008","7.4819","0.0014","15.408","0.003","90","","104.032","0.003","90","","4740.9","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Cl F N3 O6 -","- C24 H25 Cl F N3 O6 -","- C192 H200 Cl8 F8 N24 O48 -","8","1","","Martínez-Alejo, Juan M.; Domínguez-Chávez, Jorge G.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo; Senosiain, Juan P.","A Twist in Cocrystals of Salts: Changes in Packing and Chloride Coordination Lead to Opposite Trends in the Biopharmaceutical Performance of Fluoroquinolone Hydrochloride Cocrystals","Crystal Growth & Design","2014","14","6","3078","","10.1021/cg500345a","","","0.71073","MoKα","","0.1391","0.1021","","","0.1592","0.1691","","","","","","1.288","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510819","6.6136","0.0018","10.492","0.003","15.293","0.004","91.298","0.004","91.219","0.005","101.16","0.004","1040.5","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21.5 H27 Cl F N3 O4.5 -","- C21.5 H27 Cl F N3 O4.5 -","- C43 H54 Cl2 F2 N6 O9 -","2","2","","Martínez-Alejo, Juan M.; Domínguez-Chávez, Jorge G.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo; Senosiain, Juan P.","A Twist in Cocrystals of Salts: Changes in Packing and Chloride Coordination Lead to Opposite Trends in the Biopharmaceutical Performance of Fluoroquinolone Hydrochloride Cocrystals","Crystal Growth & Design","2014","14","6","3078","","10.1021/cg500345a","","","0.71073","MoKα","","0.0968","0.0788","","","0.1708","0.1875","","","","","","1.083","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510820","7.779","0.002","17.321","0.004","10.313","0.003","90","","103.685","0.004","90","","1350.1","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H31 Cl F N3 O7 -","- C28 H31 Cl F N3 O7 -","- C56 H62 Cl2 F2 N6 O14 -","2","1","","Martínez-Alejo, Juan M.; Domínguez-Chávez, Jorge G.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo; Senosiain, Juan P.","A Twist in Cocrystals of Salts: Changes in Packing and Chloride Coordination Lead to Opposite Trends in the Biopharmaceutical Performance of Fluoroquinolone Hydrochloride Cocrystals","Crystal Growth & Design","2014","14","6","3078","","10.1021/cg500345a","","","0.71073","MoKα","","0.0634","0.0538","","","0.1145","0.1188","","","","","","1.104","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510821","20.0561","0.0005","19.5073","0.0002","9.6398","0.0002","90","","130.671","0.004","90","","2860.5","0.2","180","","180","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl N O6 -","- C32 H36 Cl N O6 -","- C128 H144 Cl4 N4 O24 -","4","1","","Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan","Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals","Crystal Growth & Design","2014","14","6","2931","","10.1021/cg500226z","","","1.54184","CuKα","","0.0551","0.0449","","0.1292","0.1108","0.1292","","","","","","0.9703","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510822","43.4462","0.0007","6.61949","0.0001","16.5083","0.0002","90","","99.7909","0.0014","90","","4678.5","0.12","190","","190","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 Cl2 N2 O10 -","- C52 H62 Cl2 N2 O10 -","- C208 H248 Cl8 N8 O40 -","4","0.5","","Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan","Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals","Crystal Growth & Design","2014","14","6","2931","","10.1021/cg500226z","","","1.54184","CuKα","","0.0428","0.0403","","0.1221","0.1174","0.1221","","","","","","0.9214","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510823","25.4311","0.0005","6.66631","0.00012","16.7131","0.0003","90","","95.057","0.0017","90","","2822.37","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Cl N O7 -","- C30 H38 Cl N O7 -","- C120 H152 Cl4 N4 O28 -","4","1","","Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan","Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals","Crystal Growth & Design","2014","14","6","2931","","10.1021/cg500226z","powder diffraction","x-ray","1.5418","CuKα","","0.1127","0.0854","","0.0792","0.0741","","","","1.56","","","","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510824","24.2324","0.0006","6.76298","0.00012","16.5907","0.0003","90","","107.606","0.0009","90","","2591.58","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl N O5 -","- C28 H35 Cl N O5 -","- C112 H140 Cl4 N4 O20 -","4","1","","Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan","Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals","Crystal Growth & Design","2014","14","6","2931","","10.1021/cg500226z","powder diffraction","x-ray","1.5418","CuKα","","0.069","0.0482","","0.0565","0.0513","","","","2.81","","","","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510825","13.865","0.012","16.623","0.014","21.819","0.018","90","","92.033","0.014","90","","5026","7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Ag6 F12 N4 O11 -","- C41 H24 Ag6 F12 N4 O11 -","- C164 H96 Ag24 F48 N16 O44 -","4","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1073","0.0818","","","0.1927","0.2119","","","","","","1.067","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510826","13.654","0.003","14.19","0.003","15.105","0.003","77.671","0.004","76.944","0.004","70.973","0.004","2663.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H72 Ag12 F24 N8 O26.5 -","- C80 H56 Ag12 F24 N8 O26.5 -","- C80 H56 Ag12 F24 N8 O26.5 -","1","0.5","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1191","0.1103","","","0.2562","0.269","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510827","10.9216","0.0018","13.425","0.002","26.111","0.004","76.311","0.003","88.568","0.003","72.997","0.003","3553.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H49 Ag9 F18 N4 O17 -","- C55 H38 Ag9 F18 N4 O17 -","- C110 H76 Ag18 F36 N8 O34 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.0843","0.0788","","","0.2159","0.2267","","","","","","1.034","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510828","10.9575","0.0015","13.3587","0.0019","27.408","0.004","76.029","0.003","89.12","0.002","72.503","0.003","3706","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H55 Ag9 F18 N4 O17 -","- C58 H42 Ag9 F18 N4 O17 -","- C116 H84 Ag18 F36 N8 O34 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1072","0.0935","","","0.2222","0.2388","","","","","","1.072","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510829","9.9298","0.0008","13.4301","0.0011","14.8808","0.0012","65.92","0.001","84.082","0.002","76.82","0.002","1763.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H41 Ag8 F18 N8 O15 -","- C56 H38 Ag8 F18 N8 O15 -","- C56 H38 Ag8 F18 N8 O15 -","1","0.5","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1162","0.111","","","0.2508","0.2572","","","","","","1.105","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510830","9.9222","0.001","13.5535","0.0014","14.6566","0.0015","67.604","0.002","84.94","0.002","75.939","0.002","1767.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Ag4 F9 N4 O7 -","- C29 H21 Ag4 F9 N4 O7 -","- C58 H42 Ag8 F18 N8 O14 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1296","0.1179","","","0.2615","0.2736","","","","","","1.101","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510831","10.143","0.001","13.139","0.0012","14.3959","0.0013","63.58","0.002","88.212","0.002","72.382","0.002","1625.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Ag4 F9 N4 O7 -","- C25 H17 Ag4 F9 N4 O7 -","- C50 H34 Ag8 F18 N8 O14 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1111","0.1031","","","0.2403","0.249","","","","","","1.112","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510832","9.6275","0.0007","14.4359","0.001","14.9142","0.0011","67.025","0.002","74.899","0.001","85.478","0.001","1841.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Ag4 F9 N4 O6 -","- C32 H27 Ag4 F9 N4 O6 -","- C64 H54 Ag8 F18 N8 O12 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1053","0.098","","","0.2371","0.2472","","","","","","1.091","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510833","12.7745","0.0014","14.18","0.0015","14.5221","0.0016","70.86","0.002","88.158","0.002","73.63","0.002","2379.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Ag6 F12 N4 O11 -","- C34 H24 Ag6 F12 N4 O11 -","- C68 H48 Ag12 F24 N8 O22 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1038","0.1001","","","0.2396","0.2482","","","","","","1.105","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510834","12.7287","0.0014","12.9642","0.0014","14.91","0.003","107.235","0.003","103.377","0.003","108.095","0.002","2087.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Ag6 F12 N4 O8 -","- C30 H32 Ag6 F12 N4 O8 -","- C60 H64 Ag12 F24 N8 O16 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.096","0.0921","","","0.2302","0.2365","","","","","","1.092","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510860","34.5483","0.0015","10.6845","0.0005","27.5819","0.0011","90","","107.569","0.002","90","","9706.4","0.7","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20.25 H33 K N O6.88 Os -","- C20.25 H33 K N O6.875 Os -","- C324 H528 K16 N16 O110 Os16 -","16","2","","Eckshtain-Levi, Meital; Yufit, Dmitry; Shimon, Linda J. W.; Kirillov, Alexander M.; Benisvy, Laurent","Os(VI)O2/K Metal‒Organic Frameworks: Infinite Chain, Grid, and Porous Networks","Crystal Growth & Design","2014","14","6","2703","","10.1021/cg4016178","","","0.71073","MoKα","","0.0341","0.0257","","","0.0537","0.0563","","","","","","1.019","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510861","13.3502","0.0002","7.10564","0.00011","30.6426","0.0004","90","","100.306","0.0015","90","","2859.91","0.07","120","0.2","120","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 K2 N2 O12 Os -","- C21 H40 K2 N2 O12 Os -","- C84 H160 K8 N8 O48 Os4 -","4","1","","Eckshtain-Levi, Meital; Yufit, Dmitry; Shimon, Linda J. W.; Kirillov, Alexander M.; Benisvy, Laurent","Os(VI)O2/K Metal‒Organic Frameworks: Infinite Chain, Grid, and Porous Networks","Crystal Growth & Design","2014","14","6","2703","","10.1021/cg4016178","","","0.7107","MoKα","Mo","0.0298","0.0254","","","0.0552","0.0567","","","","","","1.07","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510862","6.6601","0.00014","17.5692","0.0003","26.7739","0.0006","90","","91.926","0.0019","90","","3131.11","0.11","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 K N2 O10 Os -","- C26 H42 K N2 O10 Os -","- C104 H168 K4 N8 O40 Os4 -","4","1","","Eckshtain-Levi, Meital; Yufit, Dmitry; Shimon, Linda J. W.; Kirillov, Alexander M.; Benisvy, Laurent","Os(VI)O2/K Metal‒Organic Frameworks: Infinite Chain, Grid, and Porous Networks","Crystal Growth & Design","2014","14","6","2703","","10.1021/cg4016178","","","0.7107","MoKα","Mo","0.0454","0.0421","","","0.0927","0.094","","","","","","1.181","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510863","12.519","0.007","13.07","0.006","21.475","0.011","73.351","0.013","89.769","0.014","70.849","0.01","3164","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H142 N4 Ni8 O28 P2 S8 -","- C108 H110 N4 Ni8 O28 P2 S8 -","- C108 H110 N4 Ni8 O28 P2 S8 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0928","0.0728","","","0.1861","0.2075","","","","","","1.083","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510864","12.304","0.006","12.449","0.006","21.118","0.011","84.197","0.017","78.94","0.013","75.862","0.014","3073","3","293","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H116 Cl0 N6 Ni8 O28 P2 S8 -","- C113.98 H84 N6 Ni8 O28 P2 S8 -","- C113.98 H84 N6 Ni8 O28 P2 S8 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0924","0.07","","","0.1897","0.2143","","","","","","1.037","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510865","24.549","0.004","28.856","0.004","31.942","0.005","90","","93.539","0.002","90","","22584","6","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H116 Cl2 Na2 Ni12 O30 P6 S12 -","- C180 H110 Cl2.01 Na2 Ni12 O30 P6 S12 -","- C720 H440 Cl8.04 Na8 Ni48 O120 P24 S48 -","4","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0713","0.0624","","","0.2008","0.2138","","","","","","1.04","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510866","24.017","0.006","28.969","0.007","31.279","0.008","90","","95.079","0.005","90","","21677","9","120","2","120","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C180 H116 Cl2 Co12 N0 Na2 O31 P6 S12 -","- C180 H108 Cl2.01 Co12 Na2 O30 P6 S12 -","- C720 H432 Cl8.04 Co48 Na8 O120 P24 S48 -","4","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0813","0.0654","","","0.1874","0.2047","","","","","","1.046","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510867","30.8006","0.0003","30.8006","0.0003","63.5696","0.0012","90","","90","","90","","60307","1.4","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C212 H236 Na4 Ni16 O80 P8 S16 -","- C212 H156 Na4 Ni16 O80 P8 S16 -","- C1696 H1248 Na32 Ni128 O640 P64 S128 -","8","0.25","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0753","0.0723","","","0.2183","0.2224","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510868","31.0238","0.0004","31.0238","0.0004","63.8894","0.0016","90","","90","","90","","61492","1.9","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C212 H236 Co16 Na4 O80 P8 S16 -","- C212 H180 Co16 Na4 O80 P8 S16 -","- C1696 H1440 Co128 Na32 O640 P64 S128 -","8","0.25","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0743","0.0715","","","0.2107","0.2144","","","","","","1.074","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510869","26.2994","0.0003","33.3014","0.0005","37.9859","0.0003","79.778","0.001","85.964","0.001","66.865","0.001","30107.3","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C414 H514 Cl0 Co40 N2 O124 P16 S40 -","- C400 H391 Co40 O114 P16 S40 -","- C800 H782 Co80 O228 P32 S80 -","2","1","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.1265","0.0934","","","0.2757","0.3078","","","","","","1.063","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510870","40.933","0.006","25.607","0.004","35.165","0.005","90","","90","","90","","36859","9","120","2","120","2","","","","","","","","8","C m c a","-C 2ac 2","64","","","","- C252 H314 Cl6 Co24 N6 O57 P8 S24 -","- C240 H96 Cl6 Co24 O57 P8 S24 -","- C960 H384 Cl24 Co96 O228 P32 S96 -","4","","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.1048","0.0853","","","0.2413","0.2687","","","","","","1.051","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510871","12.9082","0.0009","11.5417","0.0008","12.5179","0.0009","90","","116.342","0.009","90","","1671.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O6 -","- C14 H24 N2 O6 -","- C56 H96 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0559","0.0439","","","0.1503","0.1622","","","","","","1.159","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510872","6.23877","0.00007","11.55362","0.00012","11.3436","0.00012","90","","90.9259","0.0009","90","","817.544","0.015","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","Levetiracetam 2,2-dimethylsuccinic acid cocrystal","","","- C14 H24 N2 O6 -","- C14 H24 N2 O6 -","- C28 H48 N4 O12 -","2","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","powder diffraction","x-ray","0.775045","synchrotron","","","","","","","","","8.7502","4.1792","","","","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510873","6.2828","0.0003","13.3843","0.0006","18.7984","0.0008","90","","96.638","0.004","90","","1570.18","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0463","0.0399","","","0.0919","0.0956","","","","","","1.077","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510874","6.60584","0.00003","13.11919","0.00007","18.80723","0.00008","90","","90","","90","","1629.9","0.013","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Etiracetam 2,4-dihydroxybenzoic acid cocrystal","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","powder diffraction","x-ray","0.775045","synchrotron","","","","","","","","","12.3722","2.9361","","","","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510875","5.8455","0.0002","11.6845","0.0012","12.5762","0.001","78.856","0.008","82.443","0.006","84.035","0.007","832.73","0.11","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N3 O6 -","- C15 H19 N3 O6 -","- C30 H38 N6 O12 -","2","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0661","0.0526","","","0.1382","0.1476","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510876","8.0511","0.0004","13.0536","0.0006","23.0243","0.0009","90","","90","","90","","2419.76","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","- C88 H96 N16 O40 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","1.54184","CuKα","","0.0446","0.0412","","","0.1108","0.1148","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510877","24.2697","0.0008","7.4683","0.0002","13.323","0.0005","90","","104.663","0.004","90","","2336.19","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","- C88 H96 N16 O40 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0634","0.0526","","","0.1538","0.1632","","","","","","1.165","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510878","7.0988","0.0009","7.3613","0.001","12.1428","0.0013","77.496","0.01","88.25","0.01","74.232","0.012","595.91","0.13","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","1","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0586","0.054","","","0.1614","0.167","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510879","5.7253","0.0002","20.2528","0.0007","10.9457","0.0005","90","","100.085","0.004","90","","1249.58","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N2 O6 -","- C10 H16 N2 O6 -","- C40 H64 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0479","0.0413","","","0.1015","0.1056","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510880","5.7646","0.0004","19.8963","0.0014","11.069","0.0008","90","","99.331","0.006","90","","1252.75","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N2 O6 -","- C10 H16 N2 O6 -","- C40 H64 N8 O24 -","4","2","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0608","0.0457","","","0.0899","0.0974","","","","","","1.031","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510882","13.6168","0.0009","17.1138","0.0007","8.6415","0.0004","90","","99.949","0.005","90","","1983.49","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H23.5 Co N2.5 O5.5 -","- C17.5 H23.5 Co N2.5 O5.5 -","- C70 H94 Co4 N10 O22 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.0481","0.0371","","","0.0788","0.0841","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510883","11.443","0.0004","11.8242","0.0006","21.1005","0.0008","103.125","0.004","91.599","0.003","104.59","0.003","2679.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H42 Co2 F12 N7 O15 -","- C43 H42 Co2 F12 N7 O15 -","- C86 H84 Co4 F24 N14 O30 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.1387","0.0729","","","0.1436","0.1724","","","","","","0.999","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510884","10.0494","0.0003","10.0494","0.0003","24.9574","0.0011","90","","90","","120","","2182.78","0.13","293","2","293","2","","","","","","","","7","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C24 H16 Co F6 N4 O4 S2 -","- C24 H16 Co F6 N4 O4 S2 -","- C72 H48 Co3 F18 N12 O12 S6 -","3","0.25","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.0579","0.0453","","","0.1303","0.1427","","","","","","1.032","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510885","10.0283","0.0003","10.0283","0.0003","26.851","0.001","90","","90","","120","","2338.55","0.13","293","2","293","2","","","","","","","","6","P 62","P 62","171","","","","- C28 H24 Co F6 N4 O5 -","- C28 H24 Co F6 N4 O5 -","- C84 H72 Co3 F18 N12 O15 -","3","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.0685","0.0478","","","0.1132","0.1269","","","","","","1.064","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510886","18.6416","0.001","17.6594","0.0007","38.1138","0.0019","90","","90.137","0.005","90","","12547","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C120 H112 Co4 F24 N16 O16 -","- C120 H112 Co4 F24 N16 O16 -","- C480 H448 Co16 F96 N64 O64 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.2455","0.0872","","","0.1903","0.245","","","","","","1.015","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510941","12.222","0.0015","12.222","0.0015","41.159","0.005","90","","90","","90","","6148.2","1.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C35 H24 Cd N2 O8 -","- C35 H26 Cd N2 O8 -","- C280 H208 Cd8 N16 O64 -","8","0.5","","Pang, Ling-Yan; Yang, Guo-Ping; Jin, Jun-Cheng; Kang, Meng; Fu, Ai-Yun; Wang, Yao-Yu; Shi, Qi-Zhen","A Rare L1D + R1D →3D Luminescent Dense Polymer as Multifunctional Sensor to Nitro Aromatic Compounds, Cu2+, and Bases","Crystal Growth & Design","2014","14","6","2954","","10.1021/cg5002418","","","0.71073","MoKα","","0.0347","0.0314","","","0.0914","0.107","","","","","","1.13","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510943","5.898","0.004","14.913","0.013","14.979","0.013","90","","90","","90","","1317.5","1.9","213","2","213","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H5 F3 -","- C7 H5 F3 -","- C56 H40 F24 -","8","1","","Merz, Klaus; Evers, Mathies V.; Uhl, Felix; Zubatyuk, Roman I.; Shishkin, Oleg V.","Role of CHF2- and CF3-Substituents on Molecular Arrangement in the Solid State: Experimental and Theoretical Crystal Structure Analysis of CH3/CHF2/CF3-Substituted Benzene","Crystal Growth & Design","2014","14","6","3124","","10.1021/cg500413j","","","0.71073","MoKα","","0.0901","0.0799","","","0.2164","0.2225","","","","","","1.146","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4510944","5.854","0.0012","7.9654","0.0016","13.198","0.003","90","","100.18","0.03","90","","605.7","0.2","208","2","208","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 F2 -","- C7 H6 F2 -","- C28 H24 F8 -","4","1","","Merz, Klaus; Evers, Mathies V.; Uhl, Felix; Zubatyuk, Roman I.; Shishkin, Oleg V.","Role of CHF2- and CF3-Substituents on Molecular Arrangement in the Solid State: Experimental and Theoretical Crystal Structure Analysis of CH3/CHF2/CF3-Substituted Benzene","Crystal Growth & Design","2014","14","6","3124","","10.1021/cg500413j","","","0.71073","MoKα","","0.0776","0.0661","","","0.1553","0.1687","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511003","12.268","0.003","12.301","0.003","24.005","0.005","81.779","0.004","80.323","0.004","70.373","0.004","3348.9","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H29 Ag11 F21 N3 O14 -","- C56 H29 Ag11 F21 N3 O14 -","- C112 H58 Ag22 F42 N6 O28 -","2","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.0299","0.0246","","","0.0598","0.0631","","","","","","1.066","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511004","24.205","0.003","13.9678","0.0017","61.649","0.007","90","","96.107","0.002","90","","20725","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H44 Ag17 F39 N3 O32 -","- C77 H38 Ag17 F39 N3 O32 -","- C616 H304 Ag136 F312 N24 O256 -","8","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.0927","0.083","","","0.1882","0.1939","","","","","","1.197","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511005","11.7817","0.0007","13.594","0.0008","25.5927","0.0016","90","","94.723","0.001","90","","4085","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H17 Ag7 F15 N O12 -","- C30 H17 Ag7 F15 N O12 -","- C120 H68 Ag28 F60 N4 O48 -","4","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.0363","0.0308","","","0.0713","0.0763","","","","","","1.069","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511006","27.0716","0.0018","7.0575","0.0004","22.571","0.0015","90","","104.864","0.001","90","","4168.1","0.5","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C31 H16 Ag7 F14 N O12 -","- C31 H16 Ag7 F14 N O12 -","- C124 H64 Ag28 F56 N4 O48 -","4","0.5","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.2114","0.1712","","","0.452","0.4892","","","","","","1.986","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511007","16.628","0.0016","17.478","0.0017","17.9012","0.0017","73.796","0.002","89.955","0.002","82.319","0.002","4947.4","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H31 Ag16.5 F37.5 O35 -","- C61 H20 Ag16.5 F37.5 O35 -","- C122 H40 Ag33 F75 O70 -","2","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.092","0.071","","","0.196","0.2238","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511008","11.3037","0.0007","11.8495","0.0007","27.6552","0.0016","80.746","0.001","87.808","0.001","76.235","0.001","3551","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H66 Ag22 F48 N9 O36 -","- C104 H60 Ag22 F48 N9 O36 -","- C104 H60 Ag22 F48 N9 O36 -","1","0.5","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.089","0.0634","","","0.154","0.1715","","","","","","1.066","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511009","14.6088","0.0004","14.5942","0.0005","30.4951","0.0014","90","","98.439","0.003","90","","6431.3","0.4","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C62.75 H90.6 Br N9 O10.4 -","- C62.75 H90.6 Br N9 O10.4 -","- C251 H362.4 Br4 N36 O41.6 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0901","0.0704","","0.1696","0.1597","0.1696","","","","","","1.036","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4511010","14.6799","0.0001","14.6665","0.0002","30.4372","0.0002","90","","97.2017","0.0008","90","","6501.51","0.11","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C62.8 H90.2 I N9 O10.5 -","- C62.8 H90.2 I N9 O10.5 -","- C251.2 H360.8 I4 N36 O42 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0348","0.0329","","0.0918","0.0904","0.0918","","","","","","0.9866","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511011","14.495","0.0001","14.6003","0.0001","30.5996","0.0001","90","","95.6933","0.0003","90","","6443.89","0.07","150","","150","","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H80 N10 O12 -","- C58 H80 N10 O12 -","- C232 H320 N40 O48 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0593","0.0554","","0.1587","0.1549","0.1587","","","","","","0.9909","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511012","14.0716","0.0001","14.4549","0.0001","29.2252","0.0003","90","","95.2965","0.0008","90","","5919.13","0.08","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H85 Cl N5 O11.5 -","- C58 H85 Cl N5 O11.5 -","- C232 H340 Cl4 N20 O46 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0607","0.0559","","0.1626","0.157","0.1625","","","","","","0.9877","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511013","14.4476","0.0002","14.4588","0.0002","29.0175","0.0004","90","","94.4908","0.0012","90","","6043","0.14","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H85 I N5 O11.5 -","- C58 H85 I N5 O11.5 -","- C232 H340 I4 N20 O46 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.047","0.0418","","0.1191","0.1145","0.1191","","","","","","1.0259","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511014","10.911","0.0002","34.4444","0.0004","16.7589","0.0003","90","","95.8673","0.0018","90","","6265.38","0.18","100","","100","","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C114 H165 N12 O28.5 -","- C114 H165 N12 O28.5 -","- C228 H330 N24 O57 -","2","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","0.6889","synchrotron","","0.1148","0.1016","","0.2394","0.2169","0.2388","","","","","","1.0478","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4511015","11.086","0.0009","34.5934","0.0019","14.7651","0.0012","90","","91.329","0.008","90","","5660.9","0.7","100","","100","","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C58 H83 N5 O13 -","- C58 H83 N5 O13 -","- C232 H332 N20 O52 -","4","2","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","0.6889","synchrotron","","0.1137","0.0889","","0.206","0.1824","0.206","","","","","","1.0202","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511016","11.0358","0.0003","16.4868","0.0004","35.5496","0.001","90","","90","","90","","6468.1","0.3","150","","150","","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H85 N5 O13 -","- C63 H85 N5 O13 -","- C252 H340 N20 O52 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0595","0.0532","","0.1436","0.1383","0.1436","","","","","","0.9914","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511017","10.8836","0.0007","16.6797","0.0016","36.187","0.003","90","","90","","90","","6569.2","0.9","150","","150","","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H59 N9 O11 -","- C53 H59 N9 O11 -","- C212 H236 N36 O44 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.1582","0.1245","","0.3545","0.3145","0.3545","","","","","","1.1233","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511199","10.9162","0.0007","12.1614","0.0008","13.2689","0.0009","63.262","0.002","83.086","0.002","69.742","0.002","1474.55","0.17","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H32 I4 N6 O6 Sn -","- C56 H32 I4 N6 O6 Sn -","- C56 H32 I4 N6 O6 Sn -","1","0.5","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.055","0.0444","","","0.1221","0.1276","","","","","","1.052","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511200","15.1179","0.0004","8.6311","0.0002","16.266","0.0004","90","","95.133","0.001","90","","2113.94","0.09","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H24 I4 N4 O V -","- C44 H24 I4 N4 O V -","- C88 H48 I8 N8 O2 V2 -","2","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0574","0.0495","","","0.1403","0.1461","","","","","","1.039","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511201","56.344","0.0018","8.557","0.0002","21.349","0.0007","90","","104.526","0.002","90","","9964.1","0.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H34 I4 Mo N7 O3 -","- C53 H34 I4 Mo N7 O3 -","- C424 H272 I32 Mo8 N56 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.061","0.0466","","","0.1599","0.2055","","","","","","1.629","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511202","55.469","0.003","8.6711","0.0005","21.0353","0.0013","90","","95.435","0.003","90","","10072","1","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H27 Br I4 Mo N5 O3 -","- C50 H27 Br I4 Mo N5 O3 -","- C400 H216 Br8 I32 Mo8 N40 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0625","0.0521","","","0.1357","0.1395","","","","","","1.326","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511203","15.8194","0.0005","16.4413","0.0005","22.4957","0.0008","75.395","0.002","71.085","0.002","87.063","0.002","5353.2","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H27 I4 Mo N6 O3 -","- C49 H27 I4 Mo N6 O3 -","- C196 H108 I16 Mo4 N24 O12 -","4","2","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0681","0.0508","","","0.1691","0.1826","","","","","","1.053","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511204","37.5438","0.0014","16.2519","0.0005","16.3223","0.0004","90","","104.076","0.002","90","","9660.1","0.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H28 I5 Mo N4 O3 -","- C51 H28 I5 Mo N4 O3 -","- C408 H224 I40 Mo8 N32 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.1082","0.0632","","","0.1739","0.2154","","","","","","0.997","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511205","38.4438","0.0016","16.317","0.0007","15.9435","0.0006","90","","104.165","0.002","90","","9697.1","0.7","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H28 Cl I4 Mo N4 O3 -","- C51 H28 Cl I4 Mo N4 O3 -","- C408 H224 Cl8 I32 Mo8 N32 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0808","0.0598","","","0.1549","0.1668","","","","","","0.962","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511206","9.8873","0.0004","16.2858","0.0006","16.7259","0.0007","109.494","0.002","105.496","0.002","105.315","0.002","2253.97","0.17","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H27 Br5 Mo N5 O3 -","- C50 H27 Br5 Mo N5 O3 -","- C100 H54 Br10 Mo2 N10 O6 -","2","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0531","0.0374","","","0.1137","0.1267","","","","","","0.965","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511207","29.6929","0.001","14.6788","0.0004","22.636","0.0008","90","","110.222","0.001","90","","9257.9","0.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 Br4 Mo N5 O3 -","- C50 H28 Br4 Mo N5 O3 -","- C400 H224 Br32 Mo8 N40 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0714","0.0502","","","0.1142","0.1216","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511208","11.9734","0.0004","27.3052","0.0011","14.9182","0.0005","90","","96.621","0.002","90","","4844.8","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H35 I Mo N8 O3 -","- C50 H35 I Mo N8 O3 -","- C200 H140 I4 Mo4 N32 O12 -","4","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0776","0.062","","","0.1594","0.1665","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511209","36.181","0.002","15.7826","0.0009","16.3625","0.0009","90","","97.903","0.003","90","","9254.7","0.9","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H40 I Mo N4 O3 -","- C55 H40 I Mo N4 O3 -","- C440 H320 I8 Mo8 N32 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0858","0.0612","","","0.1556","0.167","","","","","","1.011","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511210","19.836","0.01","7.193","0.004","12.924","0.006","90","","98.587","0.008","90","","1823.3","1.6","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C72 H72 N16 O24 -","4","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine–4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0738","0.045","","","0.1035","0.1179","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511211","7.939","0.005","8.809","0.004","18.406","0.011","90","","90","","90","","1287.2","1.3","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine–4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.1213","0.0881","","","0.2434","0.2695","","","","","","1.147","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511212","7.897","0.004","8.786","0.004","18.235","0.009","90","","90","","90","","1265.2","1.1","203","2","203","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine–4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0854","0.0581","","","0.1311","0.1465","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511213","7.868","0.003","8.766","0.003","18.138","0.008","90","","90","","90","","1251","0.8","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine–4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0731","0.0566","","","0.1633","0.1712","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511214","10.3822","0.0015","14.176","0.002","17.233","0.002","90","","101.212","0.003","90","","2487.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N5 O9 -","- C24 H23 N5 O9 -","- C96 H92 N20 O36 -","4","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine–4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0935","0.0685","","","0.2016","0.2149","","","","","","1.127","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511215","17.006","0.004","13.708","0.003","20.859","0.004","90","","99.412","0.003","90","","4797.2","1.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N5 O9 -","- C24 H23 N5 O9 -","- C192 H184 N40 O72 -","8","2","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine–4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.1267","0.0577","","","0.1127","0.1381","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511216","7.8501","0.0008","17.5407","0.0017","17.4936","0.0017","90","","102.741","0.002","90","","2349.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N5 O9 -","- C24 H23 N5 O9 -","- C96 H92 N20 O36 -","4","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine–4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0365","0.0324","","","0.0795","0.0828","","","","","","1.011","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4511217","7.5051","0.0008","20.064","0.002","16.9094","0.0017","90","","100.157","0.002","90","","2506.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N5 O9 -","- C25 H25 N5 O9 -","- C100 H100 N20 O36 -","4","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine–4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0401","0.034","","","0.0879","0.0933","","","","","","1.022","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4511218","26.998","0.002","10.272","0.001","13.3181","0.0012","90","","92.46","0.001","90","","3690","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Mo0.75 N2 O10 W0.25 -","- C40 H44 Mo0.75 N2 O10 W0.25 -","- C160 H176 Mo3 N8 O40 W -","4","0.5","","Zhang, B.; Lu, X. M.; Li, K.; Du, S. Z.; Wang, G.; Wang, Q.","Improving and Fining of Nanostructures by Mixing W with Mo in Metal Organic Hybrid Crystal","Crystal Growth & Design","2014","14","7","3249","","10.1021/cg401839m","","","0.71073","MoKα","","0.0611","0.0409","","","0.0827","0.0944","","","","","","1.066","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511219","9.4513","0.0003","13.6988","0.0015","9.4512","0.0009","90","","90","","90","","1223.66","0.18","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals","Crystal Growth & Design","2014","14","7","3155","","10.1021/cg5004758","","","0.71073","MoKα","","0.0643","0.042","","","0.0759","0.0808","","","","","","0.921","","","","has coordinates","301843","2025-08-21","01:58:36",""
"4511220","14.2784","0.001","11.3734","0.0009","14.8822","0.0011","90","","96.67","0.004","90","","2400.4","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","2","","Panini, Piyush; Chopra, Deepak","Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals","Crystal Growth & Design","2014","14","7","3155","","10.1021/cg5004758","","","0.71073","MoKα","","0.0403","0.0349","","","0.0802","0.083","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511221","10.7039","0.0018","12.496","0.002","8.8106","0.0015","90","","92.281","0.003","90","","1177.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals","Crystal Growth & Design","2014","14","7","3155","","10.1021/cg5004758","","","0.71073","MoKα","","0.0333","0.0318","","","0.0765","0.0775","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511225","16.346","0.005","17.081","0.005","17.163","0.005","68.749","0.005","86.941","0.005","66.545","0.005","4074","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H58 Gd2 N5 O16 -","- C75 H58 Gd2 N5 O16 -","- C150 H116 Gd4 N10 O32 -","2","1","","Singh, Ruchi; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Solvent-Induced Carboxylate Shift and Movement of an Anthryl Side-Group in Single-Crystal to Single-Crystal Structural Dynamics in a Gadolinium Coordination Polymer","Crystal Growth & Design","2014","14","7","3623","","10.1021/cg5005775","","","0.71073","MoKα","","0.0684","0.054","","","0.155","0.1651","","","","","","1.103","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511226","17.779","0.005","19.772","0.005","20.507","0.005","90","","98.486","0.005","90","","7130","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H45 Gd2 N3 O16 -","- C69 H45 Gd2 N3 O16 -","- C276 H180 Gd8 N12 O64 -","4","1","","Singh, Ruchi; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Solvent-Induced Carboxylate Shift and Movement of an Anthryl Side-Group in Single-Crystal to Single-Crystal Structural Dynamics in a Gadolinium Coordination Polymer","Crystal Growth & Design","2014","14","7","3623","","10.1021/cg5005775","","","0.71073","MoKα","","0.0856","0.0539","","","0.1325","0.1557","","","","","","0.937","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511227","15.418","0.005","16.274","0.005","17.876","0.005","109.838","0.005","93.621","0.005","111.141","0.005","3846","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H59 Gd2 N5 O15 -","- C75 H59 Gd2 N5 O15 -","- C150 H118 Gd4 N10 O30 -","2","1","","Singh, Ruchi; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Solvent-Induced Carboxylate Shift and Movement of an Anthryl Side-Group in Single-Crystal to Single-Crystal Structural Dynamics in a Gadolinium Coordination Polymer","Crystal Growth & Design","2014","14","7","3623","","10.1021/cg5005775","","","0.71073","MoKα","","0.1092","0.07","","","0.1787","0.2063","","","","","","0.958","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511228","25.571","0.005","10.862","0.005","16.025","0.005","90","","105.819","0.005","90","","4282","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H41 Gd N3 O9 -","- C51 H41 Gd N3 O9 -","- C204 H164 Gd4 N12 O36 -","4","1","","Singh, Ruchi; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Solvent-Induced Carboxylate Shift and Movement of an Anthryl Side-Group in Single-Crystal to Single-Crystal Structural Dynamics in a Gadolinium Coordination Polymer","Crystal Growth & Design","2014","14","7","3623","","10.1021/cg5005775","","","0.71073","MoKα","","0.0839","0.0422","","","0.0862","0.1001","","","","","","1.046","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511229","7.7478","0.0002","8.1124","0.0002","13.1768","0.0003","117.03","0.02","81.34","0.02","89","0.02","725.85","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","bupropion hydrochloride","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydrochloride","","- C13 H19 Cl2 N O -","- C13 H19 Cl2 N O -","- C26 H38 Cl4 N2 O2 -","2","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","7.04","","","","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511230","7.9819","0.0004","8.2163","0.0005","13.7557","0.0008","84.51","0.04","84.75","0.04","63.07","0.04","799.4","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","bupropion hydroiodide","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide","","- C13 H19 Cl I N O -","- C13 H19 Cl I N O -","- C26 H38 Cl2 I2 N2 O2 -","2","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","5.47","","","","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511231","8.591","0.0002","14.61","0.0003","25.671","0.0006","90","","92.626","0.002","90","","3218.7","0.13","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bupropion hydroiodide","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide","","- C13 H19 Cl I N O -","- C13 H19 Cl I N O -","- C104 H152 Cl8 I8 N8 O8 -","8","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.9","","","","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511232","14.6084","0.0003","8.0869","0.0002","27.0461","0.0004","90","","92.76","0.001","90","","3191.43","0.11","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bupropion hydroiodide","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide","","- C13 H19 Cl I N O -","- C13 H19 Cl I N O -","- C104 H152 Cl8 I8 N8 O8 -","8","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","4.09","","","","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511233","8.2635","0.0005","9.7799","0.0003","20.2113","0.0006","90","","99.98","0.03","90","","1608.68","0.19","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bupropion hydroiodide","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide","","- C13 H19 Cl I N O -","- C13 H19 Cl I N O -","- C52 H76 Cl4 I4 N4 O4 -","4","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","16.89","","","","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511234","7.5154","0.0003","7.8712","0.0003","13.7033","0.0006","88.12","0.03","86.41","0.02","67.78","0.02","748.91","0.12","298","","298","","","","","","","","","5","P -1","-P 1","2","bupropion hydrochloride","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydrochloride","","- C13 H19 Cl2 N O -","- C13 H19 Cl2 N O -","- C26 H38 Cl4 N2 O2 -","2","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","7.4","","","","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511235","11.961","0.002","12.954","0.003","14.825","0.003","114","0.03","99.25","0.03","90.72","0.03","2063.4","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Haloperidol-oxalic acid dihydrate","Haloperidol-oxalic acid hydrate","","- C44 H52 Cl2 F2 N2 O10 -","- C44 H52 Cl2 F2 N2 O10 -","- C88 H104 Cl4 F4 N4 O20 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0393","0.0383","","","0.0963","0.0972","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511236","13.125","0.003","11.996","0.002","26.81","0.005","90","","90.06","0.03","90","","4221.2","1.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ACN solvate of HAL and OA salt","","- C46 H51 Cl2 F2 N3 O8 -","- C46 H51 Cl2 F2 N3 O8 -","- C184 H204 Cl8 F8 N12 O32 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0967","0.085","","","0.2005","0.2114","","","","","","1.233","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511237","8.7151","0.0017","10.152","0.002","14.454","0.003","97.42","0.03","98.87","0.03","114.92","0.03","1118.7","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Haloperidol-fumaric acid salt dihydrate","Haloperidol-fumaric acid salt dihydrate","","- C23 H29 Cl F N O6 -","- C23 H29 Cl F N O6 -","- C46 H58 Cl2 F2 N2 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0542","0.0494","","","0.1196","0.1234","","","","","","1.124","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511238","8.6026","0.0017","10.585","0.002","13.862","0.003","108.39","0.03","101.96","0.03","99.31","0.03","1136.2","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Haloperidol-succinic acid salt hydrate","Haloperidol-succinic acid salt hydrate","","- C23 H30 Cl F N O6 -","- C23 H30 Cl F N O6 -","- C46 H60 Cl2 F2 N2 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0606","0.0587","","","0.1623","0.165","","","","","","1.122","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511239","8.7476","0.0017","10.374","0.002","13.837","0.003","105.57","0.03","100.04","0.03","96.1","0.03","1175.5","0.5","118","2","118","2","","","","","","","","6","P -1","-P 1","2","Haloperidol-Acetic acid salt dihydrate","Haloperidol-Acetic acid salt dihydrate","","- C23 H31 Cl F N O6 -","- C23 H31 Cl F N O6 -","- C46 H62 Cl2 F2 N2 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0403","0.0379","","","0.1032","0.1059","","","","","","1.084","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511240","8.4958","0.0017","10.032","0.002","26.324","0.005","90","","94.46","0.03","90","","2236.8","0.8","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Haloperidol-Formic acid salt","Haloperidol-Formic acid salt","","- C23 H27 Cl F N O6 -","- C23 H27 Cl F N O6 -","- C92 H108 Cl4 F4 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0523","0.0481","","","0.1232","0.1272","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511241","11.189","0.002","19.89","0.004","12.562","0.003","90","","114.22","0.03","90","","2549.6","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1:1 salt of haloperidol and saccharin","","- C28 H28 Cl F N2 O5 S -","- C28 H28 Cl F N2 O5 S -","- C112 H112 Cl4 F4 N8 O20 S4 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0611","0.0575","","","0.1466","0.1503","","","","","","1.154","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511242","8.4571","0.0017","9.768","0.002","17.989","0.004","87.28","0.03","86.32","0.03","68.48","0.03","1379.2","0.6","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","1:1 salt of HAL and CSA","","- C27 H36 Cl F N2 O5 S -","- C27 H36 Cl F N2 O5 S -","- C54 H72 Cl2 F2 N4 O10 S2 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0756","0.0704","","","0.1783","0.1829","","","","","","1.185","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511243","26.571","0.005","9.925","0.002","21.954","0.004","90","","120.59","0.03","90","","4984","2","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Form I of a 1:1 salt of HAL and ACE-H","","- C25 H28 Cl F N2 O6 S -","- C25 H28 Cl F N2 O6 S -","- C200 H224 Cl8 F8 N16 O48 S8 -","8","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0688","0.0668","","","0.1566","0.158","","","","","","1.239","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511244","9.534","0.0019","10.12","0.002","14.36","0.003","88.15","0.03","83.73","0.03","65.69","0.03","1255","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","Form II of a 1:1 salt of HAL and ACE-H","","- C25 H28 Cl F N2 O6 S -","- C25 H28 Cl F N2 O6 S -","- C50 H56 Cl2 F2 N4 O12 S2 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0475","0.0465","","","0.1091","0.1099","","","","","","1.112","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511245","18.342","0.005","7.221","0.002","21.239","0.006","90","","90.928","0.005","90","","2812.7","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H2 F4 N2 -","- C7 H2 F4 N2 -","- C112 H32 F64 N32 -","16","2","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.1311","0.0615","","","0.1415","0.1698","","","","","","0.983","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511246","7.898","0.005","13.628","0.008","9.602","0.006","90","","112.516","0.012","90","","954.7","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H F7 N2 -","- C8 H F7 N2 -","- C32 H4 F28 N8 -","4","1","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.1881","0.066","","","0.1375","0.1744","","","","","","0.997","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511247","13.723","0.015","4.884","0.005","11.259","0.012","90","","100.854","0.018","90","","741.1","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H2 F4 N2 O -","- C7 H2 F4 N2 O -","- C28 H8 F16 N8 O4 -","4","1","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.0865","0.0402","","","0.0971","0.1152","","","","","","0.99","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511248","11.2581","0.0011","5.4872","0.0005","13.5463","0.0013","90","","101.503","0.002","90","","820.02","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F4 N2 O -","- C8 H4 F4 N2 O -","- C32 H16 F16 N8 O4 -","4","1","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.0749","0.0362","","","0.0905","0.1045","","","","","","0.995","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511249","5.009","0.001","8.499","0.0017","10.854","0.002","103.871","0.004","101.076","0.004","104.493","0.004","418.41","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H4 F4 N2 O -","- C8 H4 F4 N2 O -","- C16 H8 F8 N4 O2 -","2","1","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.1011","0.0482","","","0.1335","0.1815","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511250","24.123","0.005","4.3561","0.0009","18.078","0.004","90","","101.365","0.005","90","","1862.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F4 N2 O -","- C9 H6 F4 N2 O -","- C72 H48 F32 N16 O8 -","8","2","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.3535","0.0875","","","0.1909","0.2565","","","","","","0.985","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511251","9.733","0.0013","15.198","0.002","18.133","0.002","90","","94.256","0.003","90","","2674.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 F10 N2 O2 -","- C10 H2 F10 N2 O2 -","- C80 H16 F80 N16 O16 -","8","2","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.1307","0.0522","","","0.1245","0.1465","","","","","","0.998","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511252","10.1046","0.0005","8.5162","0.0005","11.6426","0.0006","90","","109.58","0.03","90","","943.9","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N4 O10 P2 -","- C12 H26 N4 O10 P2 -","- C24 H52 N8 O20 P4 -","2","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0507","0.0435","","","0.1145","0.1213","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511253","22.7176","0.0015","4.5011","0.0003","20.409","0.002","90","","122.834","0.002","90","","1753.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N4 O9 P2 -","- C14 H18 N4 O9 P2 -","- C56 H72 N16 O36 P8 -","4","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0635","0.0616","","","0.135","0.1362","","","","","","1.234","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511254","9.0366","0.0005","8.0286","0.0004","10.8628","0.0006","90","","107.809","0.003","90","","750.34","0.07","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N4 O6 P2 -","- C12 H18 N4 O6 P2 -","- C24 H36 N8 O12 P4 -","2","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0519","0.0474","","","0.1283","0.1327","","","","","","1.065","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511255","4.8022","0.0005","10.3715","0.001","12.108","0.0011","99.771","0.005","93.061","0.006","99.947","0.005","583.24","0.1","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C16 H30 N4 O8 P2 S2 -","- C16 H30 N4 O8 P2 S2 -","- C16 H30 N4 O8 P2 S2 -","1","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0885","0.0796","","","0.2157","0.2222","","","","","","1.097","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511256","7.513","0.002","11.899","0.003","12.077","0.003","95.688","0.013","94.235","0.014","94.317","0.013","1067.7","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C14 H25 N4 O10 P3 S -","- C14 H25 N4 O10 P3 S -","- C28 H50 N8 O20 P6 S2 -","2","1","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.1574","0.1244","","","0.3369","0.3599","","","","","","1.29","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511257","8.4966","0.0004","10.1445","0.0005","15.0176","0.0007","74.608","0.002","81.509","0.001","66.496","0.002","1143.17","0.1","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C42 H50 N8 O10 S6 -","- C42 H50 N8 O10 S6 -","- C42 H50 N8 O10 S6 -","1","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0364","0.036","","","0.1001","0.1006","","","","","","1.025","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511258","11.0242","0.0003","12.0925","0.0004","13.6836","0.0004","83.092","0.002","69.498","0.001","68.645","0.002","1591.25","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Mn2 N8 O14 -","- C72 H60 Mn2 N8 O14 -","- C72 H60 Mn2 N8 O14 -","1","0.5","","Mistri, Soumen; Zangrando, Ennio; Figuerola, Albert; Adhikary, Amit; Konar, Sanjit; Cano, Joan; Manna, Subal Chandra","Syntheses, Crystal Structures, and Magnetic Properties of Metal–Organic Hybrid Materials of Mn(II)/Co(II): Three-Fold Interpenetrated α-Polonium-like Network in One of Them","Crystal Growth & Design","2014","14","7","3276","","10.1021/cg500162x","","","0.71073","MoKα","","0.1108","0.0603","","","0.1695","0.2036","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511259","7.5539","0.0009","8.4979","0.0008","20.6375","0.0012","87.947","0.011","83.923","0.01","72.251","0.012","1254.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Co N2 O13 -","- C22 H30 Co N2 O13 -","- C44 H60 Co2 N4 O26 -","2","1","","Mistri, Soumen; Zangrando, Ennio; Figuerola, Albert; Adhikary, Amit; Konar, Sanjit; Cano, Joan; Manna, Subal Chandra","Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Mn(II)/Co(II): Three-Fold Interpenetrated α-Polonium-like Network in One of Them","Crystal Growth & Design","2014","14","7","3276","","10.1021/cg500162x","","","0.71073","MoKα","","0.0415","0.0355","","","0.1066","0.1111","","","","","","1.071","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511260","9.721","0.001","10.9804","0.0018","11.479","0.002","97.966","0.01","96.212","0.011","98.244","0.013","1190.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Co N2 O4.5 -","- C24.012 H20 Co N2 O4.5 -","- C48.024 H40 Co2 N4 O9 -","2","1","","Mistri, Soumen; Zangrando, Ennio; Figuerola, Albert; Adhikary, Amit; Konar, Sanjit; Cano, Joan; Manna, Subal Chandra","Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Mn(II)/Co(II): Three-Fold Interpenetrated α-Polonium-like Network in One of Them","Crystal Growth & Design","2014","14","7","3276","","10.1021/cg500162x","","","0.71073","MoKα","","0.1069","0.0626","","","0.1634","0.1855","","","","","","0.975","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511261","14.0339","0.0006","14.0339","0.0006","21.2738","0.001","90","","90","","120","","3628.5","0.3","293","2","293","2","","","","","","","","5","R -3","-R 3","148","Fe-BTC-NMF","","","- C6 H7 Fe N O5 -","- C6 H7 Fe N O5 -","- C108 H126 Fe18 N18 O90 -","18","","","Aiyappa, Harshitha Barike; Saha, Subhadeep; Garai, Bikash; Thote, Jayshri; Kurungot, Sreekumar; Banerjee, Rahul","A Distinctive PdCl2-Mediated Transformation of Fe-Based Metallogels into Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","7","3434","","10.1021/cg500368q","","","0.7107","MoKα","","0.0478","0.0349","","","0.115","0.1363","","","","","","0.93","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511262","19.9724","0.0009","19.9724","0.0009","26.0567","0.0009","90","","90","","120","","9001.4","0.7","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","Fe-Pd-BTC","","","- C22 H4 Fe4 O17 Pd -","- C22 H4 Fe4 O17 Pd -","- C132 H24 Fe24 O102 Pd6 -","6","0.25","","Aiyappa, Harshitha Barike; Saha, Subhadeep; Garai, Bikash; Thote, Jayshri; Kurungot, Sreekumar; Banerjee, Rahul","A Distinctive PdCl2-Mediated Transformation of Fe-Based Metallogels into Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","7","3434","","10.1021/cg500368q","","","0.71073","","","0.1912","0.1344","","","","0.3819","","","","","","1.071","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511263","13.978","0.004","8.0838","0.0019","13.895","0.004","90","","105.158","0.004","90","","1515.4","0.7","98","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 N8 O2 -","- C11 H20 N8 O2 -","- C44 H80 N32 O8 -","4","1","","Li, Peng; Alduhaish, Osamah; Arman, Hadi D.; Wang, Hailong; Alfooty, Khalid; Chen, Banglin","Solvent Dependent Structures of Hydrogen-Bonded Organic Frameworks of 2,6-Diaminopurine","Crystal Growth & Design","2014","14","7","3634","","10.1021/cg500602x","","","0.71073","MoKα","","0.063","0.0577","","","0.1309","0.1344","","","","","","0.992","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511264","18.711","0.003","18.711","0.003","10.843","0.002","90","","90","","120","","3287.6","1","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C90 H108 N108 -","18","1","","Li, Peng; Alduhaish, Osamah; Arman, Hadi D.; Wang, Hailong; Alfooty, Khalid; Chen, Banglin","Solvent Dependent Structures of Hydrogen-Bonded Organic Frameworks of 2,6-Diaminopurine","Crystal Growth & Design","2014","14","7","3634","","10.1021/cg500602x","","","0.71073","MoKα","","0.0997","0.0927","","","0.2186","0.2337","","","","","","1.015","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511265","8.861","0.007","9.424","0.006","9.49","0.006","69.25","0.06","73.03","0.06","73.75","0.06","694.9","0.9","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C20 H32 N24 O4 -","4","2","","Li, Peng; Alduhaish, Osamah; Arman, Hadi D.; Wang, Hailong; Alfooty, Khalid; Chen, Banglin","Solvent Dependent Structures of Hydrogen-Bonded Organic Frameworks of 2,6-Diaminopurine","Crystal Growth & Design","2014","14","7","3634","","10.1021/cg500602x","","","0.71073","MoKα","","0.0653","0.0503","","","0.113","0.1241","","","","","","0.999","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511266","17.0914","0.0009","10.509","0.0005","16.5836","0.0008","90","","110.746","0.001","90","","2785.5","0.2","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Ag2 N12 O6 -","- C24 H22 Ag2 N12 O6 -","- C96 H88 Ag8 N48 O24 -","4","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.0712","0.0348","","","0.0516","0.0582","","","","","","0.719","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511267","11.58","0.006","10.831","0.006","17.532","0.009","90","","100.36","0.008","90","","2163","2","230","2","230","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Ag2 F6 N10 O6.5 S2 -","- C28 H26 Ag2 F6 N10 O6.5 S2 -","- C56 H52 Ag4 F12 N20 O13 S4 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1272","0.0768","","","0.2175","0.2533","","","","","","0.984","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511268","8.8841","0.0001","18.3185","0.0002","12.7543","0.0002","90","","99.527","0.001","90","","2047.05","0.05","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Ag2 N12 O6 -","- C32 H38 Ag2 N12 O6 -","- C64 H76 Ag4 N24 O12 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.0802","0.0449","","","0.0927","0.1033","","","","","","0.926","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511269","8.6924","0.0011","24.973","0.003","9.372","0.0012","90","","103.396","0.002","90","","1979.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Ag2 F6 N10 O6 S2 -","- C34 H38 Ag2 F6 N10 O6 S2 -","- C68 H76 Ag4 F12 N20 O12 S4 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.0468","0.0382","","","0.0911","0.0953","","","","","","0.99","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511270","8.674","0.007","24.68","0.02","9.388","0.008","90","","104.689","0.009","90","","1944","3","230","2","230","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Ag2 F4 N10 O4 P2 -","- C32 H38 Ag2 F4 N10 O4 P2 -","- C64 H76 Ag4 F8 N20 O8 P4 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.2368","0.0805","","","0.1775","0.2595","","","","","","0.872","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511271","14.516","0.001","14.916","0.0011","23.296","0.0016","90","","90","","90","","5044.1","0.6","230","2","230","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33.25 H40.5 Ag2 Cl0.5 F12 N10 O0.25 P2 -","- C33.25 H40.5 Ag2 Cl0.5 F12 N10 O0.25 P2 -","- C133 H162 Ag8 Cl2 F48 N40 O P8 -","4","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1509","0.0819","","","0.2013","0.2482","","","","","","0.959","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511272","14.1019","0.0008","14.708","0.0007","23.1792","0.001","90","","90","","90","","4807.6","0.4","230","2","230","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 Ag2 Cl2 N10 O8.25 -","- C33 H40 Ag2 Cl2 N10 O8.25 -","- C132 H160 Ag8 Cl8 N40 O33 -","4","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1675","0.0636","","","0.1483","0.1822","","","","","","0.791","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511273","13.631","0.005","14.877","0.005","14.093","0.005","90","","118.414","0.004","90","","2513.6","1.5","230","2","230","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 Ag2 F12 N10 O2 P2 -","- C40 H58 Ag2 F12 N10 O2 P2 -","- C80 H116 Ag4 F24 N20 O4 P4 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1897","0.0761","","","0.1968","0.2794","","","","","","0.902","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511274","8.726","0.002","24.848","0.004","9.261","0.002","90","","106.224","0.023","90","","1928","0.7","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Ag2 Cl2 N10 O8 -","- C32 H38 Ag2 Cl2 N10 O8 -","- C64 H76 Ag4 Cl4 N20 O16 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.0791","0.0542","","","0.1458","0.1624","","","","","","1.029","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511275","3.9343","0.0007","5.9336","0.001","12.962","0.004","90","","98.467","0.009","90","","299.29","0.12","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-fluorophenylacetylene","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.","Polymorphism Arising from Differing Rates of Compression of Liquids","Crystal Growth & Design","2014","14","7","3384","","10.1021/cg500331u","","x-ray","0.56087","AgKα","K-L~3~","0.0604","0.0346","","","0.0566","0.063","","","","","","1.181","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511276","7.031","0.004","5.924","0.004","7.441","0.005","90","","103.563","0.017","90","","301.3","0.3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-fluorophenylacetylene","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.","Polymorphism Arising from Differing Rates of Compression of Liquids","Crystal Growth & Design","2014","14","7","3384","","10.1021/cg500331u","","x-ray","0.56087","AgKα","K-L~3~","0.0804","0.0445","","","0.0853","0.0977","","","","","","1.17","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511277","7.578","0.006","13.024","0.014","6.171","0.005","90","","90","","90","","609.1","1","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","2-fluorophenylacetlyene","","- C8 H5 F -","- C8 H5 F -","- C32 H20 F4 -","4","1","","Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.","Polymorphism Arising from Differing Rates of Compression of Liquids","Crystal Growth & Design","2014","14","7","3384","","10.1021/cg500331u","","x-ray","0.56087","AgKα","K-L~3~","0.0788","0.052","","","0.1069","0.1194","","","","","","1.168","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511278","4.9328","0.001","10.137","0.002","29.718","0.006","90","","90","","90","","1486","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 F O6 Zn -","- C16 H11 F O6 Zn -","- C64 H44 F4 O24 Zn4 -","4","1","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.1122","0.0989","","","0.2811","0.2981","","","","","","1.137","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511279","10.3254","0.0003","17.7175","0.0006","14.3986","0.0004","90","","95.878","0.002","90","","2620.23","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H54 F2 N8 O14 Zn2 -","- C52 H54 F2 N8 O14 Zn2 -","- C104 H108 F4 N16 O28 Zn4 -","2","1","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0603","0.0456","","","0.1003","0.1089","","","","","","1.014","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511280","10.4408","0.0008","18.2171","0.0012","15.714","0.0011","90","","98.588","0.007","90","","2955.3","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H27 F N4 O7 Zn -","- C30 H27 F N4 O7 Zn -","- C120 H108 F4 N16 O28 Zn4 -","4","2","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0896","0.0534","","","0.1243","0.1473","","","","","","1.013","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511281","10.7914","0.0003","15.8162","0.0004","17.8982","0.0006","90","","90","","90","","3054.85","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H28 F N4 O7 Zn -","- C30.5 H27 F N4 O7 Zn -","- C122 H108 F4 N16 O28 Zn4 -","4","1","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0776","0.056","","","0.1445","0.1599","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511282","13.068","0.003","15.168","0.003","17.457","0.004","90","","90","","90","","3460.2","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H62 F2 N8 O13 Zn2 -","- C73 H58 F2 N8 O13 Zn2 -","- C146 H116 F4 N16 O26 Zn4 -","2","0.5","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0671","0.0497","","","0.1312","0.142","","","","","","1.037","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511283","8.99","0.002","12.728","0.003","13.252","0.003","91.192","0.004","92.755","0.004","109.691","0.004","1424.9","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H60 Co3 N12 O21 -","- C54 H54 Co3 N12 O18 -","- C54 H54 Co3 N12 O18 -","1","0.5","","Rachuri, Yadagiri; Bisht, Kamal Kumar; Suresh, Eringathodi","Two-Dimensional Coordination Polymers Comprising Mixed Tripodal Ligands for Selective Colorimetric Detection of Water and Iodine Capture","Crystal Growth & Design","2014","14","7","3300","","10.1021/cg500188n","","","0.71073","MoKα","","0.0945","0.0644","","","0.148","0.1609","","","","","","0.964","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511284","8.7506","0.0015","10.73","0.0018","18.933","0.003","92.997","0.003","103.096","0.003","102.456","0.003","1681.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Cu3 N12 O21 -","- C54 H46 Cu3 N12 O16 -","- C54 H46 Cu3 N12 O16 -","1","0.5","","Rachuri, Yadagiri; Bisht, Kamal Kumar; Suresh, Eringathodi","Two-Dimensional Coordination Polymers Comprising Mixed Tripodal Ligands for Selective Colorimetric Detection of Water and Iodine Capture","Crystal Growth & Design","2014","14","7","3300","","10.1021/cg500188n","","","0.71073","MoKα","","0.0713","0.0545","","","0.1254","0.1329","","","","","","1.029","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511285","7.1589","0.0001","4.6915","0.0001","9.8014","0.0001","90","","90","","90","","329.19","0.009","100","2","100","2","","","","","","","","1","C m c e","-C 2ac 2","64","","","","- I2 -","- I2 -","- I8 -","4","0.25","","Bertolotti, Federica; Shishkina, Anastasia V.; Forni, Alessandra; Gervasio, Giuliana; Stash, Adam I.; Tsirelson, Vladimir G.","Intermolecular Bonding Features in Solid Iodine","Crystal Growth & Design","2014","14","7","3587","","10.1021/cg5005159","","","0.71073","MoKα","","0.022","0.0135","","","","0.0257","0.0172","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511286","26.9301","0.0005","18.769","0.0004","11.8275","0.0003","90","","103.076","0.001","90","","5823.2","0.2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C224 H248 F24 N32 O48 -","8","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.07","","","","0.216","","","","","","1.101","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511287","11.623","0.0002","18.7138","0.0004","25.8604","0.0005","90","","100.62","0.0007","90","","5528.56","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C224 H248 F24 N32 O48 -","8","2","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0581","","","","0.1793","","","","","","1.138","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511288","26.5176","0.0005","18.4139","0.0004","11.9808","0.0003","90","","101.5","0.0007","90","","5732.7","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C224 H248 F24 N32 O48 -","8","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0566","","","","0.1592","","","","","","1.063","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511289","13.1698","0.0003","12.182","0.0003","18.9898","0.0005","90","","97.26","0.0011","90","","3022.19","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 F3 N4 O7 -","- C30 H37 F3 N4 O7 -","- C120 H148 F12 N16 O28 -","4","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0845","","","","0.2632","","","","","","1.035","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511290","9.8775","0.0003","13.1864","0.0004","13.4772","0.0004","64.1344","0.0014","84.4473","0.0014","74.7636","0.0014","1523.69","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 F3 N4 O7 -","- C31 H37 F3 N4 O7 -","- C62 H74 F6 N8 O14 -","2","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0737","","","","0.1919","","","","","","0.908","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511291","9.997","0.0003","13.0749","0.0003","13.4367","0.0003","63.551","0.0012","84.122","0.0012","75.542","0.0012","1522.6","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C56 H62 F6 N8 O12 -","2","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0803","","","","0.2454","","","","","","0.962","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511292","10.41717","0.00019","11.4906","0.0003","13.219","0.0003","80.8342","0.0012","80.6465","0.0012","82.4192","0.0012","1532.18","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 F3 N4 O7 -","- C32 H39 F3 N4 O7 -","- C64 H78 F6 N8 O14 -","2","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0611","","","","0.1871","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511293","10.7573","0.0003","11.4193","0.0004","13.7386","0.0004","74.026","0.0016","83.878","0.0014","80.058","0.0015","1595.01","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C56 H62 F6 N8 O12 -","2","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0591","","","","0.1602","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511294","21.788","0.0002","21.788","0.0002","23.621","0.0002","90","","90","","90","","11213.3","0.17","293","2","293","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C68 H64 Cd3 N4 O30 -","- C60 H24 Cd3 O30 -","- C240 H96 Cd12 O120 -","4","0.25","","He, Yuan-Chun; Zhang, Hong-Mei; Liu, Ying-Ying; Zhai, Qiu-Yi; Shen, Qiu-Tong; Song, Shu-Yan; Ma, Jian-Fang","Luminescent Anionic Metal‒Organic Framework with Potential Nitrobenzene Sensing","Crystal Growth & Design","2014","14","7","3174","","10.1021/cg5004353","","","0.71069","MoKα","","0.0853","0.0618","","","0.1693","0.1853","","","","","","1.074","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511295","14.3396","0.0007","3.6211","0.0002","10.6131","0.0005","90","","101.044","0.0007","90","","540.88","0.05","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C20 H20 N12 O4 -","4","1","","Jarzembska, Katarzyna N.; Hoser, Anna A.; Kamiński, Radosław; Madsen, Anders Ø.; Durka, Krzysztof; Woźniak, Krzysztof","Combined Experimental and Computational Studies of Pyrazinamide and Nicotinamide in the Context of Crystal Engineering and Thermodynamics","Crystal Growth & Design","2014","14","7","3453","","10.1021/cg500376z","","","0.71073","MoKα","","0.0212","0.0153","","","0.0237","0.0237","","","","","","1.185","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511296","3.8563","0.0001","15.6302","0.0005","9.3702","0.0003","90","","98.188","0.0006","90","","559.03","0.03","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Jarzembska, Katarzyna N.; Hoser, Anna A.; Kamiński, Radosław; Madsen, Anders Ø.; Durka, Krzysztof; Woźniak, Krzysztof","Combined Experimental and Computational Studies of Pyrazinamide and Nicotinamide in the Context of Crystal Engineering and Thermodynamics","Crystal Growth & Design","2014","14","7","3453","","10.1021/cg500376z","","","0.71073","MoKα","","0.02","0.0147","","","0.0226","0.0226","","","","","","1.141","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511297","16.274","0.01","7.323","0.005","36.49","0.02","90","","94.22","0.008","90","","4337","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C59 H50 N O -","- C59 H50 N O -","- C236 H200 N4 O4 -","4","1","","Staehle, Ira O.; Rodríguez-Molina, Braulio; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Engineered Photochromism in Crystalline Salicylidene Anilines by Facilitating Rotation to Reach the Coloredtrans-Keto Form","Crystal Growth & Design","2014","14","7","3667","","10.1021/cg500762a","","","0.71073","MoKα","","0.1385","0.0943","","","0.2172","0.2398","","","","","","1.109","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511298","9.5933","0.0005","9.795","0.0005","23.4843","0.0013","99.652","0.001","94.184","0.001","100.588","0.0011","2126.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Compound 2","","","- C56 H40 Cl2 N O -","- C56 H40 Cl2 N O -","- C112 H80 Cl4 N2 O2 -","2","1","","Staehle, Ira O.; Rodríguez-Molina, Braulio; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Engineered Photochromism in Crystalline Salicylidene Anilines by Facilitating Rotation to Reach the Coloredtrans-Keto Form","Crystal Growth & Design","2014","14","7","3667","","10.1021/cg500762a","","","0.71073","MoKα","","0.0575","0.0449","","","0.1101","0.1181","","","","","","1.008","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511299","11.7103","0.0003","67.481","0.002","9.4377","0.0003","90","","104.188","0.0017","90","","7230.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H74 N6 O3 -","- C93 H74 N6 O3 -","- C372 H296 N24 O12 -","4","1","","Staehle, Ira O.; Rodríguez-Molina, Braulio; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Engineered Photochromism in Crystalline Salicylidene Anilines by Facilitating Rotation to Reach the Coloredtrans-Keto Form","Crystal Growth & Design","2014","14","7","3667","","10.1021/cg500762a","","","1.54178","CuKα","","0.0773","0.0654","","","0.1719","0.1793","","","","","","1.067","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511300","58.6098","0.0012","7.5624","0.0002","10.7139","0.0004","90","","97.989","0.002","90","","4702.6","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Stanozolol / D-phenyllactic acid cocrystal","(R)-2-hydroxy-3-phenylpropanoic acid compound with acetonitrile and (1S,10aS,12aS)-1,10a,12a-trimethyl- 1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta [5,6]naphtho[1,2-f]indazol-1-ol (1:1:2)","","- C53 H77 N5 O5 -","- C53 H77 N5 O5 -","- C212 H308 N20 O20 -","4","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","How Cocrystallization Affects Solid-State Tautomerism: Stanozolol Case Study","Crystal Growth & Design","2014","14","7","3408","","10.1021/cg500358h","","","1.54184","CuKα","","0.096","0.0837","","","0.2139","0.2237","","","","","","1.086","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511301","10.6644","0.0007","7.2335","0.0005","15.0947","0.001","90","","106.016","0.007","90","","1119.22","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Stanozolol / malonic acid cocrystal","(1S,10aS,12aS)-1,10a,12a-trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol malonic acid","","- C24 H36 N2 O5 -","- C24 H36 N2 O5 -","- C48 H72 N4 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","How Cocrystallization Affects Solid-State Tautomerism: Stanozolol Case Study","Crystal Growth & Design","2014","14","7","3408","","10.1021/cg500358h","","","0.71073","MoKα","","0.0524","0.0456","","","0.1053","0.1096","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511302","7.953","0.0006","8.6403","0.0007","10.4582","0.0007","83.337","0.006","86.973","0.006","75.431","0.007","690.63","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","Stanozolol / 6-hydroxy-2-naphthoic acid","1S,10aS,12aS)-1,10a,12a-trimethyl- 1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a- hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol 6-hydroxy-2-naphthoic acid","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","1","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","How Cocrystallization Affects Solid-State Tautomerism: Stanozolol Case Study","Crystal Growth & Design","2014","14","7","3408","","10.1021/cg500358h","","","0.71073","MoKα","","0.0537","0.0465","","","0.1025","0.1073","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511364","5.6081","0.0014","17.574","0.004","23.186","0.006","90","","90","","90","","2285.1","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0755","0.0487","","","0.1017","0.1115","","","","","","0.906","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511365","15.153","0.003","5.9037","0.0014","15.808","0.004","90","","115.745","0.003","90","","1273.8","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N O5 -","- C27 H35 N O5 -","- C54 H70 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1–C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0806","0.0679","","","0.1747","0.1846","","","","","","0.992","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511366","5.608","0.0011","17.552","0.004","23.94","0.005","90","","90","","90","","2356.5","0.9","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0651","0.0586","","","0.1428","0.1464","","","","","","1.01","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511367","5.6887","0.001","17.493","0.003","24.11","0.004","90","","90","","90","","2399.2","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H32 N O5 -","- C104 H128 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.116","0.0504","","","0.1056","0.1222","","","","","","0.822","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511368","5.9143","0.0019","16.418","0.005","23.943","0.008","90","","90","","90","","2324.9","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1067","0.0843","","","0.1903","0.2025","","","","","","1.08","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511369","6.0401","0.0012","16.22","0.003","24.531","0.005","90","","90","","90","","2403.3","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1–C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1461","0.0552","","","0.1052","0.1269","","","","","","0.764","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511370","5.9155","0.0008","16.456","0.002","24.607","0.003","90","","90","","90","","2395.4","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H32 N O5 -","- C104 H128 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0749","0.0685","","","0.189","0.1955","","","","","","1.024","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511371","14.998","0.004","5.9003","0.0014","15.904","0.004","90","","115.428","0.002","90","","1271","0.6","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N O5 -","- C27 H30 N O5 -","- C54 H60 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0967","0.083","","","0.2037","0.2141","","","","","","0.998","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511372","5.85","0.005","11.722","0.005","30.617","0.005","90","0.005","90","0.005","90","0.005","2100","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O6 -","- C23 H27 N O6 -","- C92 H108 N4 O24 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71069","MoKα","","0.289","0.0627","","","0.1291","0.1903","","","","","","0.776","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511373","5.94","0.003","16.522","0.008","23.753","0.012","90","","90","","90","","2331","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0973","0.0722","","","0.1795","0.198","","","","","","1.096","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511374","5.9321","0.0016","16.378","0.004","22.766","0.006","90","","90","","90","","2211.9","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1043","0.0879","","","0.1926","0.2144","","","","","","1.08","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511375","5.5978","0.0014","17.721","0.004","24.372","0.006","90","","90","","90","","2417.7","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1546","0.057","","","0.1128","0.1388","","","","","","0.736","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511376","13.037","0.003","5.7396","0.0011","16.663","0.003","90","","109.786","0.002","90","","1173.2","0.4","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C50 H62 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1–C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0938","0.0751","","","0.1827","0.1953","","","","","","0.956","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511377","5.8583","0.0011","16.932","0.003","24.245","0.004","90","","90","","90","","2404.9","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1–C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1116","0.0581","","","0.1146","0.1327","","","","","","0.788","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511378","25.011","0.02","5.734","0.004","17.66","0.014","90","","125.098","0.009","90","","2072","3","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C92 H108 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1–C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1698","0.0905","","","0.2265","0.2554","","","","","","0.927","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511379","5.3357","0.0005","14.5791","0.0012","27.62","0.002","90","","90","","90","","2148.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0542","0.0521","","","0.1351","0.1372","","","","","","1.03","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511380","14.6875","0.0018","5.8302","0.0007","16.291","0.002","90","","116.784","0.002","90","","1245.3","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C52 H66 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1–C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0916","0.0793","","","0.2135","0.2246","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511381","16.429","0.004","5.83","0.0014","25.749","0.006","90","","101.226","0.003","90","","2419.1","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","2","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0996","0.0611","","","0.141","0.162","","","","","","0.928","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511382","26.535","0.005","26.535","0.005","20.282","0.005","90","0.005","90","0.005","120","0.005","12367","5","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H228 I2 N12 O30 Sn6 -","- C120 H228 I2 N12 O30 Sn6 -","- C360 H684 I6 N36 O90 Sn18 -","3","0.166667","","Mohapatra, Chandrajeet; Tripathi, Sarita; Anantharaman, Ganapathi; Chandrasekhar, Vadapalli","A Hexameric Hexagonal Organotin Macrocycle. Supramolecular Entrapment of an Iodide‒Iodide Short Contact","Crystal Growth & Design","2014","14","7","3182","","10.1021/cg500633n","","","0.71073","MoKα","","0.0982","0.081","","","0.2156","0.2342","","","","","","1.032","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511383","29.311","0.003","5.9604","0.0005","21.7006","0.0019","90","","94.511","0.002","90","","3779.5","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 Cd F3 N3 O5 -","- C47 H36 Cd F3 N3 O5 -","- C188 H144 Cd4 F12 N12 O20 -","4","0.5","","Medishetty, Raghavender; Tandiana, Rika; Vittal, Jagadese J.","Stepwise Host‒Guest [2 + 2] Photoreaction in a Hydrogen-Bonded One-Dimensional Coordination Polymer to a Two-Dimensional Layered Structure","Crystal Growth & Design","2014","14","7","3186","","10.1021/cg500641m","","","0.71073","MoKα","","0.0558","0.0484","","","0.1213","0.1311","","","","","","1.094","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511384","41.702","0.005","9.8988","0.0013","18.444","0.002","90","","103.422","0.003","90","","7405.7","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H60 Cd3 F2 N6 O16 -","- C62 H60 Cd3 F2 N6 O16 -","- C248 H240 Cd12 F8 N24 O64 -","4","0.5","","Medishetty, Raghavender; Tandiana, Rika; Vittal, Jagadese J.","Stepwise Host‒Guest [2 + 2] Photoreaction in a Hydrogen-Bonded One-Dimensional Coordination Polymer to a Two-Dimensional Layered Structure","Crystal Growth & Design","2014","14","7","3186","","10.1021/cg500641m","","","0.71073","MoKα","","0.1403","0.0862","","","0.2212","0.2525","","","","","","1.022","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511385","11.7447","0.0011","21.5208","0.0019","28.109","0.003","90","","90","","90","","7104.7","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H33 Cd N5 O10 -","- C37 H33 Cd N5 O10 -","- C296 H264 Cd8 N40 O80 -","8","1","","Medishetty, Raghavender; Tandiana, Rika; Vittal, Jagadese J.","Stepwise Host‒Guest [2 + 2] Photoreaction in a Hydrogen-Bonded One-Dimensional Coordination Polymer to a Two-Dimensional Layered Structure","Crystal Growth & Design","2014","14","7","3186","","10.1021/cg500641m","","","0.71073","MoKα","","0.0767","0.0547","","","0.1057","0.1136","","","","","","1.089","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511386","12.1134","0.001","9.2965","0.0008","12.0316","0.001","90","","100.35","0.002","90","","1332.86","0.19","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cu N O5 -","- C11 H17 Cu N O5 -","- C44 H68 Cu4 N4 O20 -","4","1","","Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.","Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties","Crystal Growth & Design","2014","14","7","3398","","10.1021/cg500716d","","","0.71073","MoKα","","0.0637","0.0398","","","0.0978","0.112","","","","","","1.054","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511387","8.7497","0.0001","9.2024","0.0002","16.6861","0.0002","88.893","0.001","79.897","0.001","64.008","0.001","1186.4","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H68 Cu2 N4 O20 -","- C44 H68 Cu2 N4 O20 -","- C44 H68 Cu2 N4 O20 -","1","0.5","","Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.","Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties","Crystal Growth & Design","2014","14","7","3398","","10.1021/cg500716d","","","0.71069","MoKα","","0.0618","0.0434","","","0.1115","0.1174","","","","","","1.128","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511388","12.7095","0.0006","8.7854","0.0006","12.0498","0.0007","90","","101.689","0.002","90","","1317.55","0.13","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Cu N O5 -","- C10 H17 Cu N O5 -","- C40 H68 Cu4 N4 O20 -","4","1","","Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.","Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties","Crystal Growth & Design","2014","14","7","3398","","10.1021/cg500716d","","","0.71069","MoKα","","0.0644","0.0428","","","0.0973","0.1057","","","","","","1.069","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511389","7.7386","0.0008","8.5225","0.0008","13.6748","0.0015","85.096","0.005","85.617","0.005","63.198","0.004","801.32","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Cu N O5 -","- C14 H23 Cu N O5 -","- C28 H46 Cu2 N2 O10 -","2","1","","Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.","Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties","Crystal Growth & Design","2014","14","7","3398","","10.1021/cg500716d","","","0.71073","MoKα","","0.0692","0.0567","","","0.1397","0.1499","","","","","","1.055","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511390","24.1972","0.0016","5.1143","0.0003","17.6687","0.0012","90","","121.267","0.001","90","","1869","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H13 N O -","- C10 H13 N O -","- C80 H104 N8 O8 -","8","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","0.71073","MoKα","","0.053","0.0412","","","0.1123","0.1185","","","","","","1.001","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511391","5.1916","0.0001","9.4525","0.0002","10.0367","0.0002","96.326","0.001","102.938","0.001","104.998","0.001","456.226","0.016","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O -","- C10 H13 N O -","- C20 H26 N2 O2 -","2","2","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0323","0.0321","","","0.0815","0.0818","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511392","5.1941","0.0001","9.4531","0.0001","10.0232","0.0001","96.343","0.001","102.945","0.001","104.938","0.001","455.971","0.012","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O -","- C10 H13 N O -","- C20 H26 N2 O2 -","2","2","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.029","0.0288","","","0.075","0.0755","","","","","","1.001","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511393","7.3699","0.0009","22.592","0.003","11.7988","0.0015","90","","90.308","0.002","90","","1964.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C88 H88 N8 O16 -","8","2","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","0.71073","MoKα","","0.0637","0.049","","","0.1314","0.1406","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511394","6.70721","0.00007","7.01427","0.00007","10.01819","0.0001","90","","102.64","0.0003","90","","459.895","0.008","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0266","0.0266","","","0.0686","0.0686","","","","","","1.006","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511395","6.7076","0.0005","7.0112","0.0005","10.021","0.0007","90","","102.635","0.002","90","","459.86","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0257","0.0257","","","0.0688","0.0688","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511396","6.7078","0.0001","7.1693","0.0001","19.0492","0.0003","90","","90","","90","","916.08","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0258","0.0258","","","0.0647","0.0647","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511397","6.7089","0.0001","7.1714","0.0001","19.048","0.0002","90","","90","","90","","916.44","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.025","0.0249","","","0.0624","0.0624","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511398","33.1272","0.0012","65.1158","0.001","19.1804","0.0003","90","","90","","90","","41374.1","1.8","100","0.11","100","0.11","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H8 O16 S4 Zn3 -","- C24 O16 S4 Zn3 -","- C768 O512 S128 Zn96 -","32","1","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Organic Cation Templated Synthesis of Three Zinc‒2,5-Thiophenedicarboxylate Frameworks for Selective Gas Sorption","Crystal Growth & Design","2014","14","7","3493","","10.1021/cg500436g","","","0.71073","MoKα","","0.1258","0.1166","","","0.2954","0.3022","","","","","","1.042","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511399","14.6561","0.0005","23.4491","0.0006","16.0392","0.0007","90","","90","","90","","5512.2","0.3","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C24 H8 O16 S4 Zn3 -","- C24 H8 O16 S4 Zn3 -","- C96 H32 O64 S16 Zn12 -","4","1","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Organic Cation Templated Synthesis of Three Zinc‒2,5-Thiophenedicarboxylate Frameworks for Selective Gas Sorption","Crystal Growth & Design","2014","14","7","3493","","10.1021/cg500436g","","","0.71073","MoKα","","0.0467","0.0387","","","0.1078","0.1121","","","","","","1.025","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511400","15.5168","0.0007","16.779","0.0008","18.7394","0.0011","94.142","0.004","113.527","0.005","110.215","0.004","4070.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 N6 O38 S8 Zn7 -","- C66 H58 N6 O38 S8 Zn7 -","- C66 H58 N6 O38 S8 Zn7 -","1","0.5","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Organic Cation Templated Synthesis of Three Zinc‒2,5-Thiophenedicarboxylate Frameworks for Selective Gas Sorption","Crystal Growth & Design","2014","14","7","3493","","10.1021/cg500436g","","","0.71073","MoKα","","0.0793","0.0518","","","0.1248","0.1352","","","","","","0.892","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511401","7.813","0.0007","7.9406","0.0007","11.6727","0.001","100.09","0.001","95.843","0.001","99.374","0.001","697.09","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Co N3 O6 -","- C14 H12 Co N3 O6 -","- C28 H24 Co2 N6 O12 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0351","0.0322","","","0.0962","0.0983","","","","","","1.006","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511402","18.793","0.003","19.363","0.003","14.588","0.0019","90","","119.792","0.002","90","","4606.8","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 Co N5 O8 -","- C21 H21 Co N5 O8 -","- C168 H168 Co8 N40 O64 -","8","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0638","0.0435","","","0.1198","0.1322","","","","","","1.024","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511403","14.9376","0.0012","10.3231","0.0008","20.0556","0.0015","90","","111.065","0.001","90","","2886","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Co N3 O6 -","- C15 H14 Co N3 O6 -","- C120 H112 Co8 N24 O48 -","8","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0497","0.043","","","0.1341","0.1383","","","","","","1.04","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511404","8.5578","0.0013","10.1318","0.0015","11.8526","0.0017","69.808","0.002","78.753","0.003","74.67","0.002","924.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Co N3 O8 -","- C16 H20 Co N3 O8 -","- C32 H40 Co2 N6 O16 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0679","0.0471","","","0.1131","0.1247","","","","","","1.034","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511405","23.8537","0.0017","10.4096","0.0007","19.8203","0.0013","90","","90.172","0.002","90","","4921.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 Co N5 O6 -","- C25 H25 Co N5 O6 -","- C200 H200 Co8 N40 O48 -","8","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0336","0.0275","","","0.0697","0.0721","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511406","10.1586","0.0004","10.22","0.0005","12.7787","0.0006","79.125","0.001","71.981","0.001","72.383","0.001","1195.83","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Co N4 O9 -","- C23 H19 Co N4 O9 -","- C46 H38 Co2 N8 O18 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0378","0.0357","","","0.1084","0.11","","","","","","1.043","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511407","9.5278","0.0007","10.1157","0.0007","17.7684","0.0013","97.959","0.006","90.3","0.006","110.198","0.007","1589.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H38 Co N4 O12 -","- C29 H37 Co N4 O12 -","- C58 H74 Co2 N8 O24 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0748","0.0558","","","0.1523","0.1685","","","","","","1.007","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511408","19.286","0.004","19.445","0.004","14.322","0.003","90","","121.182","0.003","90","","4595","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Co N4 O8 -","- C21 H19 Co N4 O8 -","- C168 H152 Co8 N32 O64 -","8","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0545","0.0367","","","0.1001","0.1085","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511409","10.1112","0.0019","15.943","0.003","16.764","0.003","111.325","0.003","103.68","0.004","102.598","0.003","2303.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Co2 N8 O16 -","- C44 H44 Co2 N8 O16 -","- C88 H88 Co4 N16 O32 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.1018","0.0602","","","0.1434","0.1615","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511410","11.1531","0.0013","12.9963","0.0015","13.4198","0.0015","75.916","0.002","75.109","0.002","70.039","0.002","1740.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 Co2 N6 O12 -","- C32 H39 Co2 N6 O12 -","- C64 H78 Co4 N12 O24 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0787","0.0489","","","0.103","0.111","","","","","","1.009","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511411","18.485","0.003","8.2738","0.0015","8.26","0.0015","90","","114.461","0.002","90","","1149.9","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.71073","MoKα","","0.019","0.0177","","","0.0461","0.0468","","","","","","1.12","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511412","20.388","0.004","8.2663","0.0013","8.1857","0.0013","90","","102.72","0.013","90","","1345.7","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 O8 P2 Zn -","- C6 H18 O8 P2 Zn -","- C24 H72 O32 P8 Zn4 -","4","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.71073","MoKα","","0.052","0.035","","","0.0765","0.0856","","","","","","1.037","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511413","8.595","0.007","5.056","0.004","18.096","0.015","90","","93.344","0.009","90","","785","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 O6 P2 Zn -","- C3 H8 O6 P2 Zn -","- C12 H32 O24 P8 Zn4 -","4","1","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0327","0.0289","","","0.0778","0.0794","","","","","","1.084","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511414","8.651","0.002","5.0283","0.0012","22.598","0.005","90","","93.046","0.003","90","","981.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 O6 P2 Zn -","- C5 H12 O6 P2 Zn -","- C20 H48 O24 P8 Zn4 -","4","1","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0479","0.0357","","","0.0892","0.0936","","","","","","1.049","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511415","19.397","0.003","27.62","0.005","5.1655","0.0009","90","","90","","90","","2767.4","0.8","100","","100","2","","","","","","","","5","P m m n","-P 2ab 2a","59","","","","- C6 H22 O16 P4 Zn3 -","- C6 H14 O16 P4 Zn3 -","- C24 H56 O64 P16 Zn12 -","4","","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","x-ray","0.7749","synchrotron","","0.0491","0.045","","","0.1188","0.1212","","","","","","1.062","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511416","24.408","0.004","27.827","0.005","5.1509","0.0007","90","","90","","90","","3498.5","1","110","","110","2","","","","","","","","5","P m m n","-P 2ab 2a","59","","","","- C10 H30 O16 P4 Zn3 -","- C10 H22 O16 P4 Zn3 -","- C40 H88 O64 P16 Zn12 -","4","","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.71073","MoKα","","0.0918","0.0613","","","0.1504","0.1608","","","","","","1.027","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511417","21.775","0.004","4.8267","0.0008","9.5273","0.0017","90","","95.233","0.002","90","","997.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H9 O6 P2 Zn2 -","- C5 H9 O6 P2 Zn2 -","- C20 H36 O24 P8 Zn8 -","4","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0348","0.0335","","","0.0894","0.0907","","","","","","1.078","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511418","8.685","0.0013","9.9739","0.0015","12.8831","0.0019","100.409","0.002","104.701","0.002","90.945","0.002","1059.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 O12 P4 Zn3 -","- C12 H26 O12 P4 Zn3 -","- C24 H52 O24 P8 Zn6 -","2","1","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0436","0.0354","","","0.0977","0.1017","","","","","","1.092","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511419","10.5536","0.0009","17.313","0.0011","10.3937","0.0007","90","","99.502","0.005","90","","1873","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H42 O26 P6 Zn5 -","- C12 H38 O26 P6 Zn5 -","- C24 H76 O52 P12 Zn10 -","2","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.71073","MoKα","","0.1543","0.1187","","","0.3012","0.3346","","","","","","1.279","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511420","23.215","0.005","17.112","0.005","10.343","0.002","90","","94.529","0.01","90","","4096","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H52 O28 P6 Zn5 -","- C17 H44 O27 P6 Zn5 -","- C68 H176 O108 P24 Zn20 -","4","1","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.6888","synchrotron","","0.084","0.0614","","","0.1575","0.1725","","","","","","1.017","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511421","13.045","0.002","17.192","0.003","10.3905","0.0018","90","","96.914","0.003","90","","2313.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 O28 P6 Zn5 -","- C20 H50 O28 P6 Zn5 -","- C40 H100 O56 P12 Zn10 -","2","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0822","0.0476","","","0.1112","0.1261","","","","","","0.999","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511422","52.533","0.004","28.74","0.002","16.9133","0.0014","90","","98.472","0.001","90","","25257","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H116 Ce4 N22 O39 -","- C75 H51 Ce4 N13 O30 -","- C600 H408 Ce32 N104 O240 -","8","1","","Ayhan, Ozan; Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Baca, Svetlana G.; Kögerler, Paul","Assembly of Cerium(III) 2,2′-Bipyridine-5,5′-dicarboxylate-based Metal‒Organic Frameworks by Solvent Tuning","Crystal Growth & Design","2014","14","7","3541","","10.1021/cg500815v","","","0.71073","MoKα","","0.1155","0.0901","","","0.2362","0.2567","","","","","","0.893","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511423","27.541","0.006","11.126","0.002","16.991","0.003","90","","99.01","0.03","90","","5142.2","1.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Ce2 N10 O17 -","- C48 H48 Ce2 N10 O17 -","- C192 H192 Ce8 N40 O68 -","4","1","","Ayhan, Ozan; Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Baca, Svetlana G.; Kögerler, Paul","Assembly of Cerium(III) 2,2′-Bipyridine-5,5′-dicarboxylate-based Metal‒Organic Frameworks by Solvent Tuning","Crystal Growth & Design","2014","14","7","3541","","10.1021/cg500815v","","","0.71073","MoKα","","0.1056","0.0922","","","0.2025","0.2097","","","","","","1.165","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511424","27.1979","0.0009","27.1979","0.0009","15.4999","0.0004","90","","90","","120","","9929.6","0.5","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","[Tetrakis(mu-adenine-kN3:kN9)bis(bromido)dicopper(II)]bromide- methanol (1/2)]","","- C22 H28 Br4 Cu2 N20 O2 -","- C20 H20 Br4 Cu2 N20 -","- C180 H180 Br36 Cu18 N180 -","9","0.25","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Fröba, Michael; Hoffmann, Frank; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Paddle-Wheel Shaped Copper(II)-Adenine Discrete Entities As Supramolecular Building Blocks To Afford Porous Supramolecular Metal‒Organic Frameworks (SMOFs)","Crystal Growth & Design","2014","14","8","4019","","10.1021/cg500634y","","","0.71073","MoKα","","0.1112","0.0927","","","0.2997","0.3107","","","","","","1.234","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511425","22.2245","0.0018","13.8069","0.001","7.0204","0.0006","90","","108.28","0.006","90","","2045.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(mu-adenine-kN3:kN9)bis(mu-chlorido)di(chlorido)dicopper(II)]- (methanol) (1/2)]","","- C12 H18 Cl4 Cu2 N10 O2 -","- C12 H10 Cl4 Cu2 N10 O2 -","- C48 H40 Cl16 Cu8 N40 O8 -","4","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Fröba, Michael; Hoffmann, Frank; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Paddle-Wheel Shaped Copper(II)-Adenine Discrete Entities As Supramolecular Building Blocks To Afford Porous Supramolecular Metal‒Organic Frameworks (SMOFs)","Crystal Growth & Design","2014","14","8","4019","","10.1021/cg500634y","","","0.71073","MoKα","","0.1119","0.0778","","","0.2048","0.2342","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511426","9.1344","0.0007","11.0778","0.001","13.0778","0.0011","90","","103.873","0.007","90","","1284.73","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(mu-adenine-kN3:kN9)bis(mu-bromido)di(bromido)dicopper(II)]- (propan-1-ol) (1/2)]","","- C16 H26 Br4 Cu2 N10 O2 -","- C16 H26 Br4 Cu2 N10 O2 -","- C32 H52 Br8 Cu4 N20 O4 -","2","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Fröba, Michael; Hoffmann, Frank; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Paddle-Wheel Shaped Copper(II)-Adenine Discrete Entities As Supramolecular Building Blocks To Afford Porous Supramolecular Metal‒Organic Frameworks (SMOFs)","Crystal Growth & Design","2014","14","8","4019","","10.1021/cg500634y","","","0.71073","MoKα","","0.0688","0.0504","","","0.0927","0.1005","","","","","","1.119","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511427","13.178","0.01","12.026","0.009","13.179","0.01","90","","90","","90","","2089","3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H10 N12 O14 -","- C12 H10 N12 O14 -","- C48 H40 N48 O56 -","4","1","","Zhang, Chaoyang; Yang, Zongwei; Zhou, Xiaoqing; Zhang, Chenghua; Ma, Yu; Xu, Jinjiang; Zhang, Qi; Nie, Fude; Li, Hongzhen","Evident Hydrogen Bonded Chains Building CL-20-Based Cocrystals","Crystal Growth & Design","2014","14","8","3923","","10.1021/cg500796r","","","0.71073","MoKα","","0.0465","0.0403","","","0.0923","0.0962","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511428","13.405","0.002","7.9724","0.0014","20.951","0.004","90","","94.158","0.004","90","","2233.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N12 O14 -","- C16 H12 N12 O14 -","- C64 H48 N48 O56 -","4","1","","Zhang, Chaoyang; Yang, Zongwei; Zhou, Xiaoqing; Zhang, Chenghua; Ma, Yu; Xu, Jinjiang; Zhang, Qi; Nie, Fude; Li, Hongzhen","Evident Hydrogen Bonded Chains Building CL-20-Based Cocrystals","Crystal Growth & Design","2014","14","8","3923","","10.1021/cg500796r","","","0.71073","MoKα","","0.0724","0.0529","","","0.1334","0.1467","","","","","","1.014","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511532","7.1208","0.0009","8.4113","0.0011","13.02","0.002","72.212","0.012","87.797","0.011","74.341","0.011","714.17","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl3 N2 O Sn -","- C12 H9 Cl3 N2 O Sn -","- C24 H18 Cl6 N4 O2 Sn2 -","2","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.0794","0.0526","","","0.1076","0.1181","","","","","","1.025","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511533","8.5178","0.0003","20.4772","0.0007","10.4144","0.0004","90","","93.75","0.003","90","","1812.6","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br3 N O2 Sn -","- C14 H12 Br3 N3 O Sn -","- C56 H48 Br12 N12 O4 Sn4 -","4","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.056","0.0414","","","0.0908","0.0973","","","","","","1.049","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511534","17.6097","0.0007","12.5384","0.0003","17.9005","0.0008","90","","117.701","0.005","90","","3499.4","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 N2 O Sn -","- C16 H18 Cl2 N2 O Sn -","- C128 H144 Cl16 N16 O8 Sn8 -","8","2","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.0515","0.0301","","","0.0608","0.0708","","","","","","1.053","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511535","9.3066","0.0004","9.524","0.0004","14.0942","0.0005","104.361","0.003","94.016","0.003","98.977","0.003","1187.65","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl2 N2 O Sn -","- C25 H22 Cl2 N2 O Sn -","- C50 H44 Cl4 N4 O2 Sn2 -","2","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.0232","0.0199","","","0.0484","0.0502","","","","","","1.033","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511536","12.5299","0.0008","12.7797","0.0007","19.9032","0.0013","90","","90","","90","","3187.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Br3 N2 S Sn -","- C12 H9 Br3 N2 S Sn -","- C96 H72 Br24 N16 S8 Sn8 -","8","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.1358","0.0549","","","0.0634","0.0799","","","","","","0.984","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511537","12.9592","0.0004","10.4092","0.0003","14.5307","0.0006","90","","114.255","0.005","90","","1787.09","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 N2 S Sn -","- C16 H18 Cl2 N2 S Sn -","- C64 H72 Cl8 N8 S4 Sn4 -","4","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.0354","0.0299","","","0.0672","0.0714","","","","","","1.064","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511538","6.8426","0.0005","20.0479","0.0014","21.4663","0.0015","90","","90","","90","","2944.7","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H26 N8 O9 S2 -","- C18 H26 N8 O9 S2 -","- C72 H104 N32 O36 S8 -","4","0.5","","Xiao, Wenchang; Hu, Chunhua; Carter, Damien J.; Nichols, Shane; Ward, Michael D.; Raiteri, Paolo; Rohl, Andrew L.; Kahr, Bart","Structural Correspondence of Solution, Liquid Crystal, and Crystalline Phases of the Chromonic Mesogen Sunset Yellow","Crystal Growth & Design","2014","14","8","4166","","10.1021/cg500752x","","","0.71073","MoKα","","0.0754","0.0584","","","0.1673","0.1771","","","","","","1.095","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511539","7.0104","0.0003","9.1585","0.0006","10.9366","0.0006","80.332","0.006","73.993","0.004","84.208","0.004","664.26","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 F6 I4 -","- C24 H12 F6 I4 -","- C24 H12 F6 I4 -","1","0.5","","Lemouchi, Cyprien; Yamamoto, Hiroshi M.; Kato, Reizo; Simonov, Sergey; Zorina, Leokadiya; Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Iliopoulos, Konstantinos; Gindre, Denis; Chrysos, Michael; Batail, Patrick","Reversible Control of Crystalline Rotors by Squeezing Their Hydrogen Bond Cloud Across a Halogen Bond-Mediated Phase Transition","Crystal Growth & Design","2014","14","7","3375","","10.1021/cg5002978","","","0.71073","MoKα","","0.0679","0.0429","","","0.112","0.12","","","","","","1.085","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4511540","9.0986","0.0005","11.2261","0.0007","13.7829","0.0006","112.913","0.005","96.345","0.005","93.942","0.005","1279.14","0.13","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 F6 I4 -","- C24 H12 F6 I4 -","- C48 H24 F12 I8 -","2","1","","Lemouchi, Cyprien; Yamamoto, Hiroshi M.; Kato, Reizo; Simonov, Sergey; Zorina, Leokadiya; Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Iliopoulos, Konstantinos; Gindre, Denis; Chrysos, Michael; Batail, Patrick","Reversible Control of Crystalline Rotors by Squeezing Their Hydrogen Bond Cloud Across a Halogen Bond-Mediated Phase Transition","Crystal Growth & Design","2014","14","7","3375","","10.1021/cg5002978","","","0.71073","MoKα","","0.0425","0.0262","","","0.0491","0.0514","","","","","","1.075","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511541","9.835","0.002","12.723","0.003","14.592","0.004","84.277","0.003","87.288","0.003","76.841","0.003","1768.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Cl4 N4 O12 Zn -","- C28 H38 Cl4 N4 O12 Zn -","- C56 H76 Cl8 N8 O24 Zn2 -","2","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes","Crystal Growth & Design","2014","14","8","4111","","10.1021/cg500717n","","","0.71073","MoKα","","0.0655","0.0489","","","0.1416","0.1544","","","","","","1.065","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511542","9.0372","0.0012","12.5384","0.0016","15.1211","0.0019","89.705","0.002","86.941","0.002","84.171","0.002","1702.1","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Cl2 N6 O6 S2 Zn2 -","- C28 H36 Cl2 N6 O6 S2 Zn2 -","- C56 H72 Cl4 N12 O12 S4 Zn4 -","2","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes","Crystal Growth & Design","2014","14","8","4111","","10.1021/cg500717n","","","0.71073","MoKα","","0.0608","0.0432","","","0.1198","0.1291","","","","","","1.088","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511543","16.9993","0.0006","7.5278","0.0003","13.5447","0.0005","90","","100.037","0.001","90","","1706.75","0.11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N5 O2 Zn -","- C15 H16 Cl N5 O2 Zn -","- C60 H64 Cl4 N20 O8 Zn4 -","4","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes","Crystal Growth & Design","2014","14","8","4111","","10.1021/cg500717n","","","0.71073","MoKα","","0.0496","0.0347","","","0.0864","0.0944","","","","","","1.024","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511544","8.8137","0.0007","14.6565","0.0011","25.2937","0.0019","90","","96.03","0.003","90","","3249.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cl2 N10 O5 Zn2 -","- C26 H34 Cl2 N10 O5 Zn2 -","- C104 H136 Cl8 N40 O20 Zn8 -","4","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes","Crystal Growth & Design","2014","14","8","4111","","10.1021/cg500717n","","","0.71073","MoKα","","0.0997","0.0623","","","0.1425","0.1599","","","","","","1.092","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511545","6.6714","0.0011","9.134","0.0015","37.65","0.006","90","","90","","90","","2294.3","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Lamivudinium hemiOxalate","","","- C18 H24 N6 O10 S2 -","- C18 H24 N6 O10 S2 -","- C72 H96 N24 O40 S8 -","4","1","","Perumalla, Sathyanarayana R.; Sun, Changquan C.","Design and Preparation of a 4:1 Lamivudine–Oxalic Acid CAB Cocrystal for Improving the Lamivudine Purification Process","Crystal Growth & Design","2014","14","8","3990","","10.1021/cg5005825","","","0.71073","MoKα","","0.038","0.0317","","","0.0706","0.074","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511546","8.6175","0.0009","24.679","0.003","13.4297","0.0014","90","","101.002","0.001","90","","2803.6","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lamivudinium Oxalate monohydrate","","","- C10 H15 N3 O8 S -","- C10 H15 N3 O8 S -","- C80 H120 N24 O64 S8 -","8","4","","Perumalla, Sathyanarayana R.; Sun, Changquan C.","Design and Preparation of a 4:1 Lamivudine‒Oxalic Acid CAB Cocrystal for Improving the Lamivudine Purification Process","Crystal Growth & Design","2014","14","8","3990","","10.1021/cg5005825","","","0.71073","MoKα","","0.0509","0.039","","","0.0819","0.0884","","","","","","1.014","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511575","5.3553","0.001","7.685","0.0015","10.951","0.002","104.448","0.003","90.485","0.003","100.058","0.003","429.09","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Cu N2 O12 U -","- C14 H10 Cu N2 O12 U -","- C14 H10 Cu N2 O12 U -","1","0.5","","Kerr, Andrew T.; Cahill, Christopher L.","CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence","Crystal Growth & Design","2014","14","8","4094","","10.1021/cg5007132","","x-ray","0.71073","MoKα","","0.025","0.0249","","","0.051","0.0511","","","","","","1.045","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511576","8.4363","0.0011","13.1485","0.0017","17.833","0.002","90","","90","","90","","1978.1","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cu N2 O13 U -","- C14 H12 Cu N2 O13 U -","- C56 H48 Cu4 N8 O52 U4 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence","Crystal Growth & Design","2014","14","8","4094","","10.1021/cg5007132","","x-ray","0.71073","MoKα","","0.0611","0.0411","","","0.0931","0.1023","","","","","","0.992","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511577","9.344","0.004","10.249","0.004","11.295","0.005","90.275","0.006","113.058","0.006","110.556","0.006","919.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cu N2 O13 U -","- C14 H11 Cu N2 O13 U -","- C28 H22 Cu2 N4 O26 U2 -","2","1","","Kerr, Andrew T.; Cahill, Christopher L.","CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence","Crystal Growth & Design","2014","14","8","4094","","10.1021/cg5007132","","x-ray","0.71073","MoKα","","0.0308","0.0242","","","0.045","0.0478","","","","","","1.038","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511578","19.7","0.008","7.072","0.003","25.731","0.01","90","","107.705","0.006","90","","3415","2","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 B I N2 O2 -","- C18 H14 B I N2 O2 -","- C144 H112 B8 I8 N16 O16 -","8","2","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0725","0.054","","","0.1271","0.139","","","","","","1.09","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511579","7.095","0.004","10.015","0.006","13.341","0.008","90.954","0.013","95.037","0.011","93.988","0.014","941.8","1","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 B Br N2 O3 -","- C18 H13 B Br N2 O3 -","- C36 H26 B2 Br2 N4 O6 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1205","0.0732","","","0.2001","0.2096","","","","","","0.882","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511580","11.092","0.006","7.246","0.004","21.061","0.013","90","","99.211","0.011","90","","1670.9","1.7","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B Cl N O2 -","- C19 H15 B Cl N O2 -","- C76 H60 B4 Cl4 N4 O8 -","4","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1246","0.0665","","","0.1341","0.1584","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511581","8.996","0.005","12.502","0.006","14.051","0.007","109.397","0.004","94.074","0.006","110.188","0.006","1367.9","1.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 B I N4 O3 -","- C30 H24 B I N4 O3 -","- C60 H48 B2 I2 N8 O6 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0501","0.0376","","","0.0896","0.094","","","","","","0.93","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511582","13.251","0.005","6.858","0.003","18.594","0.008","90","","103.5","0.07","90","","1643","1.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Iodophenylboronic acid-4,4'-bipyridyl-hydrate complex","","- C16 H16 B I N2 O3 -","- C16 H16 B I N2 O3 -","- C64 H64 B4 I4 N8 O12 -","4","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0509","0.0395","","","0.0886","0.1022","","","","","","1.085","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511583","7.384","0.008","11.183","0.009","12.07","0.002","110.297","0.001","103.06","0.002","94.72","0.002","896.4","1.2","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 B I N O2 -","- C19 H15 B I N O2 -","- C38 H30 B2 I2 N2 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1111","0.092","","","0.2804","0.2866","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511584","8.982","0.006","12.482","0.008","13.945","0.008","109.23","0.005","95.719","0.005","110.223","0.007","1344.4","1.5","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 B Br N4 O3 -","- C30 H24 B Br N4 O3 -","- C60 H48 B2 Br2 N8 O6 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1251","0.0519","","","0.0944","0.1115","","","","","","0.826","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511585","6.939","0.004","9.959","0.005","12.125","0.007","80.167","0.014","87.694","0.015","83.066","0.015","819.4","0.8","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 B Cl N2 O2 -","- C18 H14 B Cl N2 O2 -","- C36 H28 B2 Cl2 N4 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0727","0.0405","","","0.0813","0.0888","","","","","","0.84","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511586","7.202","0.002","34.347","0.008","21.339","0.005","90","","105.66","0.008","90","","5083","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Iodophenylboronic acid-4,7-phenanthroline complex","","- C24 H20 B2 I2 N2 O4 -","- C24 H20 B2 I2 N2 O4 -","- C192 H160 B16 I16 N16 O32 -","8","2","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0749","0.042","","","0.1002","0.1172","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511587","7.621","0.004","9.054","0.005","11.668","0.006","80.58","0.02","88.21","0.02","84.07","0.02","789.9","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-Bromophenylboronic acid-4,7-phenanthroline complex","","- C18 H14 B Br N2 O2 -","- C18 H14 B Br N2 O2 -","- C36 H28 B2 Br2 N4 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0414","0.0289","","","0.065","0.0679","","","","","","0.936","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511588","7.218","0.004","11.132","0.006","11.861","0.007","109.402","0.01","104.453","0.004","94.515","0.005","856.7","0.8","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 B Br N O2 -","- C19 H15 B Br N O2 -","- C38 H30 B2 Br2 N2 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0685","0.0481","","","0.1114","0.1152","","","","","","0.834","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511589","7.506","0.002","9.118","0.002","11.635","0.004","79.24","0.03","88.39","0.02","84.33","0.02","778.4","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-Chlorophenylboronic acid-4,7-phenanthroline complex","","- C18 H14 B Cl N2 O2 -","- C18 H14 B Cl N2 O2 -","- C36 H28 B2 Cl2 N4 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0324","0.0275","","","0.0744","0.0781","","","","","","1.135","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511590","10.129","0.004","10.9","0.004","12.521","0.004","69.96","0.008","66.85","0.008","70.21","0.007","1160.4","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4-Iodophenylboronic acid-trans-1,2-bis(4-pyridyl)ethene complex","","- C48 H42 B2 I2 N6 O4 -","- C48 H42 B2 I2 N6 O4 -","- C48 H42 B2 I2 N6 O4 -","1","0.5","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1417","0.0549","","","0.1271","0.1507","","","","","","0.83","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511591","12.805","0.003","6.834","0.001","18.647","0.004","90","","102.74","0.03","90","","1591.6","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromophenylboronic acid-4,4'-bipyridyl-hydrate complex","","- C16 H16 B Br N2 O3 -","- C16 H16 B Br N2 O3 -","- C64 H64 B4 Br4 N8 O12 -","4","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0557","0.0332","","","0.0748","0.0825","","","","","","1.005","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511592","12.259","0.005","12.938","0.002","13.211","0.003","96.91","0.01","116.79","0.02","99.83","0.02","1796","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-Chlorophenylboronic acid-trans-1, 2-bis(4-pyridyl)ethene-hydrate complex","","- C18 H18 B Cl N2 O3 -","- C18 H18 B Cl N2 O3 -","- C72 H72 B4 Cl4 N8 O12 -","4","2","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0669","0.0465","","","0.1246","0.1375","","","","","","1.029","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511593","12.606","0.005","6.878","0.003","18.873","0.008","90","","102.793","0.007","90","","1595.7","1.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Chlorophenylboronic acid-4,4'-bipyridyl-hydrate complex","","- C16 H16 B Cl N2 O3 -","- C16 H16 B Cl N2 O3 -","- C64 H64 B4 Cl4 N8 O12 -","4","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0687","0.0566","","","0.143","0.1562","","","","","","1.161","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511594","12.301","","12.969","","13.309","","96.25","0.01","116.94","0.01","100.13","0.01","1819.8","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-Bromophenylboronic acid-trans-1,2-bis(4-pyridyl)ethene-hydrate complex","","- C18 H18 B Br N2 O3 -","- C18 H18 B Br N2 O3 -","- C72 H72 B4 Br4 N8 O12 -","4","2","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0712","0.0385","","","0.0876","0.096","","","","","","0.896","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511595","7.2659","0.0001","10.3858","0.0003","42.1865","0.001","90","","90","","90","","3183.49","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 N2 O9 -","- C31 H48 N2 O9 -","- C124 H192 N8 O36 -","4","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","1.54184","CuKα","","0.0336","0.0323","","","0.0829","0.0845","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511596","10.7203","0.0007","9.3534","0.0004","14.3581","0.0011","90","","110.236","0.008","90","","1350.84","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H38 N4 O10 -","- C24 H38 N4 O10 -","- C48 H76 N8 O20 -","2","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","0.71073","MoKα","","0.0447","0.0372","","","0.0892","0.0951","","","","","","0.956","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511597","12.0408","0.0008","5.9067","0.0003","12.1169","0.0008","90","","113.961","0.008","90","","787.51","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H22 N2 O6 -","- C13 H22 N2 O6 -","- C26 H44 N4 O12 -","2","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","0.71073","MoKα","","0.0584","0.0411","","","0.0885","0.0966","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511598","5.9628","0.0004","11.5797","0.0008","22.5983","0.0018","90","","95.615","0.008","90","","1552.9","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H22 N2 O6 -","- C13 H22 N2 O6 -","- C52 H88 N8 O24 -","4","2","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","0.71073","MoKα","","0.0602","0.0485","","","0.1162","0.1243","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511599","7.351","0.002","9.78","0.003","29.993","0.005","90","","90","","90","","2156.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O4 -","- C21 H32 N2 O4 -","- C84 H128 N8 O16 -","4","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","1.54178","CuKα","","0.0883","0.0837","","","0.234","0.2366","","","","","","1.056","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511600","6.8807","0.0001","11.0656","0.0002","16.4085","0.0003","90","","96.713","0.002","90","","1240.76","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H40 N2 O5 -","- C26 H40 N2 O5 -","- C52 H80 N4 O10 -","2","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","1.54184","CuKα","","0.0312","0.0298","","","0.0774","0.0792","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511601","14.01","0.0013","8.9567","0.0008","10.3498","0.001","90","","109.458","0.004","90","","1224.6","0.2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 O3 Tl -","- C14 H11 O3 Tl -","- C56 H44 O12 Tl4 -","4","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.034","0.0251","","0.0589","0.0569","0.0569","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511602","9.8894","0.0005","11.9645","0.0006","18.8117","0.0009","104.566","0.003","102.641","0.003","91.839","0.003","2093.11","0.18","29","","29","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H43 Ga O13 -","- C43 H43 Ga O13 -","- C86 H86 Ga2 O26 -","2","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.0468","0.0358","","0.0968","0.093","0.093","","","","","","1.0267","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511603","13.3766","0.0013","14.8033","0.0016","16.1009","0.0017","93.531","0.004","103.123","0.004","114.206","0.004","2788.7","0.5","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C61 H57 In N2 O14 -","- C61 H57 In N2 O14 -","- C122 H114 In2 N4 O28 -","2","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.075","0.0508","","0.1418","0.1291","0.1291","","","","","","1.0133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511604","8.728","0.002","11.925","0.003","14.66","0.004","105.473","0.008","100.16","0.009","103.095","0.011","1386","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 B N2 O7 -","- C31 H27 B N2 O7 -","- C62 H54 B2 N4 O14 -","2","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.1032","0.0616","","0.1305","0.121","0.121","","","","","","1.0059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511605","6.9037","0.0002","19.0744","0.0005","31.8889","0.0009","90","","90","","90","","4199.3","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H41 N4 O7 Tl -","- C52 H41 N4 O7 Tl -","- C208 H164 N16 O28 Tl4 -","4","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.047","0.0425","","0.0682","0.0677","0.0677","","","","","","0.9948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511606","11.2273","0.0006","17.5817","0.0009","11.7154","0.0006","90","","112.885","0.002","90","","2130.53","0.19","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H38 N4 O6 Tl2 -","- C52 H38 N4 O6 Tl2 -","- C104 H76 N8 O12 Tl4 -","2","0.5","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.0835","0.0523","","0.1222","0.1019","0.1019","","","","","","0.9993","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511607","24.3592","0.0014","9.4393","0.0004","21.6422","0.0011","90","","115.445","0.002","90","","4493.6","0.4","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 Al O14 -","- C43 H45 Al O14 -","- C172 H180 Al4 O56 -","4","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.063","0.0454","","0.0788","0.077","0.077","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511608","20.4932","0.0008","13.7177","0.0006","27.2481","0.0011","90","","90","","90","","7660","0.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C76 H80.5 Co4 N8 O28.5 -","- C76 H80.5 Co4 N8 O28.5 -","- C304 H322 Co16 N32 O114 -","4","1","","Ke, Szu-Yu; Chang, Ya-Fan; Wang, Hsin-Yu; Yang, Ching-Chun; Ni, Cheng-Wei; Lin, Gu-Ying; Chen, Tzu-Ting; Ho, Mei-Lin; Lee, Gene-Hsiang; Chuang, Yu-Chun; Wang, Chih-Chieh","Self-Assembly of Four Coordination Polymers in Three-Dimensional Entangled Architecture Showing Reversible Dynamic Solid-State Structural Transformation and Color-Changing Behavior upon Thermal Dehydration and Rehydration","Crystal Growth & Design","2014","14","8","4011","","10.1021/cg500620k","","","0.71073","MoKα","","0.0863","0.0586","","","0.1233","0.136","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511616","5.7188","0.0004","10.1645","0.0007","20.4591","0.0011","90","","90","","90","","1189.26","0.13","298.01","0.1","298.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N3 O4 -","- C10 H13 N3 O4 -","- C40 H52 N12 O16 -","4","1","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.0756","0.0518","","","","0.1454","","","","","","1.0905","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511617","5.6612","0.0003","5.1428","0.0003","9.5438","0.0005","90","","93.246","0.005","90","","277.42","0.03","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C4 H7 N O3 -","- C4 H7 N O3 -","- C8 H14 N2 O6 -","2","1","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.0238","0.0237","","","","0.0629","","","","","","1.0678","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511618","5.4131","0.0006","6.0085","0.0005","9.9526","0.0008","87.699","0.007","84.94","0.008","73.561","0.009","309.22","0.05","119.95","0.1","119.95","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","1","0.5","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.0732","0.0656","","","","0.1924","","","","","","1.115","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511619","7.1751","0.0006","10.1669","0.0012","12.6992","0.0012","82.037","0.009","81.412","0.007","88.251","0.008","907.12","0.16","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","1","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.1101","0.0793","","","","0.2669","","","","","","1.1876","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511632","34.43","0.003","10.1777","0.001","22.398","0.002","90","","92.226","0.002","90","","7842.7","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H106 Br2 N4 O27 -","- C83 H102 Br2 N4 O27 -","- C332 H408 Br8 N16 O108 -","4","0.5","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Baker, Gary A.; Atwood, Jerry L.","Solvent-Modulated Formation of “Pac-man” and Capsular Host‒Guest Bilayers from a Dicationic Ionic Liquid andC-Butylpyrogallol[4]arene","Crystal Growth & Design","2014","14","8","4199","","10.1021/cg500793z","","","0.7749","synchrotron","","0.0703","0.0584","","","0.1484","0.1567","","","","","","1.071","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511633","44.5094","0.0015","12.9169","0.0004","17.9977","0.0006","90","","108.483","0.002","90","","9813.6","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C99 H144 Br2 N4 O31 -","- C99 H130 Br2 N4 O31 -","- C396 H520 Br8 N16 O124 -","4","0.5","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Baker, Gary A.; Atwood, Jerry L.","Solvent-Modulated Formation of “Pac-man” and Capsular Host‒Guest Bilayers from a Dicationic Ionic Liquid andC-Butylpyrogallol[4]arene","Crystal Growth & Design","2014","14","8","4199","","10.1021/cg500793z","","","0.7749","synchrotron","","0.1061","0.0884","","","0.2436","0.2636","","","","","","1.041","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511634","18.4096","0.0006","20.188","0.0006","23.4074","0.0007","73.34","0.002","68.043","0.002","79.237","0.002","7698.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C151.95 H223.4 Br3 N6 O46.75 -","- C151.95 H208.8 Br3 N6 O46.75 -","- C303.9 H417.6 Br6 N12 O93.5 -","2","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Baker, Gary A.; Atwood, Jerry L.","Solvent-Modulated Formation of “Pac-man” and Capsular Host‒Guest Bilayers from a Dicationic Ionic Liquid andC-Butylpyrogallol[4]arene","Crystal Growth & Design","2014","14","8","4199","","10.1021/cg500793z","","","0.7749","synchrotron","","0.1455","0.1174","","","0.3481","0.3745","","","","","","1.528","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511635","14.167","0.0005","18.6643","0.0007","16.8236","0.0003","90","","90","","90","","4448.4","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H56 O28 U3 -","- C30 H56 O28 U3 -","- C120 H224 O112 U12 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0442","0.0286","","","0.0611","0.0646","","","","","","1.021","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511636","14.881","0.0013","18.0065","0.0015","17.2267","0.0008","90","","90","","90","","4616","0.6","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H46 N4 Ni O22 U2 -","- C38 H46 N4 Ni O22 U2 -","- C152 H184 N16 Ni4 O88 U8 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0774","0.0482","","","0.1042","0.113","","","","","","1.041","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511637","15.258","0.0004","18.0513","0.001","16.9899","0.0008","90","","95.344","0.003","90","","4659.1","0.4","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C86 H90 N10 Ni2 O39 U4 -","- C86 H80 N10 Ni2 O39 U4 -","- C172 H160 N20 Ni4 O78 U8 -","2","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0636","0.0502","","","0.1211","0.1251","","","","","","1.099","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511638","10.0413","0.0002","15.5554","0.0003","10.0309","0.0002","90","","90","","90","","1566.79","0.05","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H34 Ni O24 U2 -","- C18 H30 Ni O24 U2 -","- C36 H60 Ni2 O48 U4 -","2","0.25","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0336","0.0322","","","0.0824","0.0828","","","","","","1.262","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511639","10.1436","0.0005","15.6398","0.0007","10.0394","0.0004","90","","90","","90","","1592.69","0.12","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H34 Cu O24 U2 -","- C18 H30 Cu O24 U2 -","- C36 H60 Cu2 O48 U4 -","2","0.25","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0392","0.0322","","","0.0777","0.0796","","","","","","1.169","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511640","31.0331","0.0013","10.0992","0.0003","16.5477","0.0007","90","","90","","90","","5186.2","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H59 O40 Tb U3 -","- C27 H33 O40 Tb U3 -","- C108 H132 O160 Tb4 U12 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0516","0.0385","","","0.0973","0.1015","","","","","","1.047","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511641","8.9367","0.0005","9.4944","0.0006","11.9769","0.0008","83.967","0.004","73.74","0.003","67.598","0.003","901.95","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O20 U3 -","- C28 H36 N2 O20 U3 -","- C28 H36 N2 O20 U3 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0397","0.0306","","","0.0558","0.058","","","","","","1.026","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511642","20.7493","0.0007","20.7493","0.0007","10.0311","0.0002","90","","90","","120","","3740.12","0.19","150","2","150","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C9 H10 O8 U -","- C9 H9 O8 U -","- C54 H54 O48 U6 -","6","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0397","0.0318","","","0.0781","0.0802","","","","","","1.052","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511646","9.55","0.005","11.309","0.005","16.008","0.005","85.285","0.005","88.604","0.005","65.217","0.005","1564.2","1.2","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C44 H38 N30 Na6 O19 W2 -","- C44 H36 N30 Na6 O19 W2 -","- C44 H36 N30 Na6 O19 W2 -","1","0.5","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","x-ray","0.71069","MoKα","","0.0322","0.029","","","0.074","0.0763","","","","","","1.042","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511647","21.579","0.0001","25.288","0.0003","9.788","0.0004","90","","90","","90","","5341.2","0.2","100","2","100","2","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C16 H16 K3 N12 O8 W -","- C16 H16 K3 N12 O8 W -","- C128 H128 K24 N96 O64 W8 -","8","0.5","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","x-ray","0.7107","MoKα","","0.0215","0.0195","","","0.0413","0.0428","","","","","","1.1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511648","16.27","0.005","16.578","0.005","19.748","0.005","108.69","0.005","94.85","0.005","97.985","0.005","4949","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H28 Mn6 N40 O22 W4 -","- C62 H28 Mn6 N40 O22 W4 -","- C124 H56 Mn12 N80 O44 W8 -","2","1","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","","0.71069","MoKα","","0.0538","0.0273","","","0.0743","0.0825","","","","","","1.013","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511649","11.3416","0.0001","15.1979","0.0001","14.7404","0.0001","90","","90","","90","","2540.78","0.03","293","2","293","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C12 H4 Mn2 N10 O12 W -","- C12 H4 Mn2 N10 O12 W -","- C48 H16 Mn8 N40 O48 W4 -","4","0.5","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","","0.71073","MoKα","","0.0339","0.0283","","","0.0742","0.0779","","","","","","1.057","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511668","13.3072","0.0005","20.3766","0.0008","21.6407","0.0008","73.832","0.002","83.605","0.002","83.898","0.002","5583.4","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C160 H138 -","- C160 H138 -","- C320 H276 -","2","1","","Ghiassi, Kamran B.; Chen, Susanne Y.; Prinz, Peter; de Meijere, Armin; Olmstead, Marilyn M.; Balch, Alan L.","Cocrystallization of C60or C70with the Bowl-Shaped Hydrocarbon Hexakis[(E)-3,3-dimethyl-1-butenyl]benzene To Form Chains of Clamshell Assemblies","Crystal Growth & Design","2014","14","8","4005","","10.1021/cg500603c","","","0.7749","synchrotron","","0.08","0.0662","","","0.1802","0.193","","","","","","1.034","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511669","14.6166","0.0006","32.4939","0.0014","22.8644","0.0009","90","","94.194","0.002","90","","10830.4","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C149.7 H137.64 S0.12 -","- C149.701 H137.64 S0.1214 -","- C598.803 H550.56 S0.4856 -","4","1","","Ghiassi, Kamran B.; Chen, Susanne Y.; Prinz, Peter; de Meijere, Armin; Olmstead, Marilyn M.; Balch, Alan L.","Cocrystallization of C60or C70with the Bowl-Shaped Hydrocarbon Hexakis[(E)-3,3-dimethyl-1-butenyl]benzene To Form Chains of Clamshell Assemblies","Crystal Growth & Design","2014","14","8","4005","","10.1021/cg500603c","","","0.7749","synchrotron","","0.0792","0.0628","","","0.1658","0.1806","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511671","5.349","","5.349","","11.628","","90","","90","","90","","332.698","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Sodium Lanthanum Bis(tungstate)","","- La Na O8 W2 -","- La Na O8 W2 -","- La2 Na2 O16 W4 -","2","0.125","","Wang, Zijun; Zhong, Jiuping; Jiang, Haoxing; Wang, Jing; Liang, Hongbin","Controllable Synthesis of NaLu(WO4)2:Eu3+Microcrystal and Luminescence Properties for LEDs","Crystal Growth & Design","2014","14","8","3767","","10.1021/cg5001182","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511672","9.5986","0.0007","9.6754","0.0007","10.1798","0.0007","79.665","0.006","82.116","0.006","87.581","0.006","921.12","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N8 O14 Zn2 -","- C32 H36 N8 O14 Zn2 -","- C32 H36 N8 O14 Zn2 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0671","0.0464","","","0.0836","0.0956","","","","","","0.999","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511673","8.0455","0.0007","11.0296","0.0009","12.2367","0.0009","81.545","0.007","72.039","0.007","69.327","0.008","965.55","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 B2 Cd2 F8 N8 O10 -","- C28 H32 B2 Cd2 F8 N8 O10 -","- C28 H32 B2 Cd2 F8 N8 O10 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0502","0.0411","","","0.0871","0.0959","","","","","","1.047","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511674","10.5244","0.0003","15.4351","0.0003","10.9498","0.0003","90","","91.508","0.002","90","","1778.13","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cd N4 O6 -","- C16 H16 Cd N4 O6 -","- C64 H64 Cd4 N16 O24 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.041","0.0308","","","0.0715","0.0778","","","","","","0.997","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511675","22.3659","0.001","7.2649","0.0005","7.2828","0.0003","90","","90","","90","","1183.35","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H10 N2 O6 Zn -","- C9 H10 N2 O6 Zn -","- C36 H40 N8 O24 Zn4 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0341","0.0299","","","0.0812","0.0843","","","","","","1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511676","21.9763","0.001","10.4278","0.0004","10.7628","0.0004","90","","90","","90","","2466.45","0.17","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C9 H10 Cd N2 O6 -","- C9 H10 Cd N2 O6 -","- C72 H80 Cd8 N16 O48 -","8","","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0533","0.0376","","","0.0593","0.065","","","","","","0.998","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511677","14.6217","0.0003","8.5579","0.0002","9.3563","0.0002","90","","93.319","0.002","90","","1168.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O5 Zn -","- C10 H10 N2 O5 Zn -","- C40 H40 N8 O20 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0489","0.0406","","","0.1043","0.1116","","","","","","1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511678","21.078","0.003","4.7782","0.0004","18.462","0.002","90","","114.867","0.014","90","","1687","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N2 O3 -","- C8 H9 N2 O3 -","- C64 H72 N16 O24 -","8","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0812","0.0543","","","0.1195","0.1446","","","","","","1.085","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511679","8.2196","0.0006","9.2915","0.0005","14.0247","0.0008","77.376","0.005","84.259","0.005","75.489","0.005","1010.7","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 O6 Zn -","- C18 H20 N4 O6 Zn -","- C36 H40 N8 O12 Zn2 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0569","0.0423","","","0.086","0.0934","","","","","","1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511680","9.9339","0.0005","10.8715","0.0008","13.3713","0.0009","66.832","0.007","86.057","0.005","73.598","0.005","1272.1","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cd N5 O7 -","- C21 H27 Cd N5 O7 -","- C42 H54 Cd2 N10 O14 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0417","0.0354","","","0.0922","0.0972","","","","","","0.999","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511681","10.2393","0.0005","15.3424","0.0007","9.652","0.0005","90","","105.727","0.005","90","","1459.52","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O6 Zn -","- C12 H18 N2 O6 Zn -","- C48 H72 N8 O24 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0989","0.0562","","","0.102","0.1193","","","","","","0.999","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511682","11.444","0.006","13.901","0.002","9.682","0.003","90","","114.8","0.05","90","","1398.2","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cd N2 O6 -","- C12 H18 Cd N2 O6 -","- C48 H72 Cd4 N8 O24 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0773","0.0471","","","0.0709","0.0819","","","","","","0.999","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511683","9.2876","0.0004","25.1207","0.0009","25.9555","0.0009","90","","90","","90","","6055.7","0.4","193","","193","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 F24 Fe2 N20 O3 P4 -","- C44 H48 F24 Fe2 N20 O3 P4 -","- C176 H192 F96 Fe8 N80 O12 P16 -","4","1","","Sunatsuki, Yukinari; Fujita, Kunihiro; Maruyama, Hisashi; Suzuki, Takayoshi; Ishida, Hiroyuki; Kojima, Masaaki; Glaser, Robert","Chiral Crystal Structure of aP212121Kryptoracemate Iron(II) Complex with an Unsymmetric Azine Ligand and the Observation of Chiral Single Crystal Circular Dichroism","Crystal Growth & Design","2014","14","8","3692","","10.1021/cg500635q","","","0.71075","MoKα","","","0.0443","","","","0.1237","","","","","","1.04","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511684","7.8733","0.0002","9.6661","0.0002","13.1775","0.0005","95.832","0.001","102.659","0.001","114.486","0.002","869.32","0.05","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H15 B F2 O2 -","- C23 H15 B F2 O2 -","- C46 H30 B2 F4 O4 -","2","1","","Alemany, Pere; D’Aléo, Anthony; Giorgi, Michel; Canadell, Enric; Fages, Frédéric","C–H···BF2O2Interactions in Crystals: A Case for Boron Hydrogen Bonding?","Crystal Growth & Design","2014","14","8","3700","","10.1021/cg5008473","","x-ray","0.71073","MoKα","","0.1064","0.0618","","","0.1714","0.2152","","","","","","1.071","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511685","8.0679","0.0002","8.9156","0.0003","16.6791","0.0005","77.872","0.002","87.581","0.002","74.133","0.003","1128.11","0.06","293","2","293","2","","","","","","","Synthetic Product","4","P 1","P 1","1","doxycycline nitrate salt hemihydrate","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a- octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, nitrate, hemihydrate, (4S,4aR,5S,5aR,6R,12aS)- (9CI)","","- C44 H52 N6 O23 -","- C44 H52 N6 O23 -","- C44 H52 N6 O23 -","1","1","","Santos, Olímpia M. M.; Silva, Douglas M.; Martins, Felipe T.; Legendre, Alexandre O.; Azarias, Lilian C.; Rosa, Iara M. L.; Neves, Person P.; de Araujo, Magali B.; Doriguetto, Antonio C.","Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline","Crystal Growth & Design","2014","14","8","3711","","10.1021/cg500877z","","","1.5418","CuKα","","0.0369","0.0332","","","0.084","0.0867","","","","","","1.027","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511686","11.0979","0.0001","12.7557","0.0001","16.8829","0.0002","90","","90","","90","","2389.97","0.04","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","doxycycline chloride salt dihydrate","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a- octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, dihydrate, (4S,4aR,5S,5aR,6R,12aS)- (9CI)","","- C22 H29 Cl N2 O10 -","- C22 H29 Cl N2 O10 -","- C88 H116 Cl4 N8 O40 -","4","1","","Santos, Olímpia M. M.; Silva, Douglas M.; Martins, Felipe T.; Legendre, Alexandre O.; Azarias, Lilian C.; Rosa, Iara M. L.; Neves, Person P.; de Araujo, Magali B.; Doriguetto, Antonio C.","Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline","Crystal Growth & Design","2014","14","8","3711","","10.1021/cg500877z","","","1.5418","CuKα","","0.0314","0.0282","","","0.07","0.0721","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511687","6.4753","0.0002","9.097","0.0004","42.8077","0.0016","90","","90","","90","","2521.62","0.17","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","doxycycline acetic acid dihydrate","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a- octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, acetic acid, dihydrate, (4S,4aR,5S,5aR,6R,12aS)- (9CI)","","- C24 H32 N2 O12 -","- C24 H32 N2 O12 -","- C96 H128 N8 O48 -","4","1","","Santos, Olímpia M. M.; Silva, Douglas M.; Martins, Felipe T.; Legendre, Alexandre O.; Azarias, Lilian C.; Rosa, Iara M. L.; Neves, Person P.; de Araujo, Magali B.; Doriguetto, Antonio C.","Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline","Crystal Growth & Design","2014","14","8","3711","","10.1021/cg500877z","","","0.71073","MoKα","","0.0715","0.0432","","","0.0928","0.0989","","","","","","0.943","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511688","14.121","0.006","12.638","0.005","27.712","0.012","90","","95.022","0.005","90","","4927","4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C-methylpyrogallol[4]arene with xanthone","","","- C54 H64 O17 -","- C54 H64 O17 -","- C216 H256 O68 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.121","0.0861","","","0.2357","0.2556","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511689","12.5436","0.001","13.1759","0.001","14.583","0.0011","68.605","0.001","87.655","0.001","82.533","0.001","2225","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","C-methylpyrogallol[4]arene with xanthone","","","- C50 H56 O17 -","- C50 H56 O17 -","- C100 H112 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0601","0.0446","","","0.1154","0.1275","","","","","","1.024","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511690","13.195","0.003","26.798","0.005","14.844","0.003","90","","91.929","0.002","90","","5245.9","1.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C-ethylpyrogallol[4]arene with xanthone","","","- C54.5 H76 O17 -","- C54.5 H76 O17 -","- C218 H304 O68 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0945","0.066","","","0.1715","0.1922","","","","","","1.025","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511691","12.2183","0.0011","12.2447","0.0011","17.2323","0.0016","86.549","0.001","83.574","0.001","64.197","0.001","2306.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with xanthone","","","- C52 H58 O16 S -","- C52 H58 O16 S -","- C104 H116 O32 S2 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0522","0.0391","","","0.1027","0.114","","","","","","1.047","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511692","12.7479","0.0003","13.0603","0.0003","14.191","0.0004","98.372","0.001","90.522","0.001","98.042","0.001","2313.47","0.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","C-ethylpyrogallol[4]arene with xanthone","","","- C53 H60 O16 -","- C53 H60 O16 -","- C106 H120 O32 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","1.54178","CuKα","","0.0426","0.041","","","0.1108","0.1125","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511693","12.4166","0.0019","12.4314","0.0019","19.473","0.003","72.312","0.002","83.962","0.002","60.7","0.002","2493.9","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H62 N2 O14 -","- C57 H62 N2 O14 -","- C114 H124 N4 O28 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0821","0.0538","","","0.1356","0.1516","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511694","12.7989","0.0019","15.169","0.002","16.067","0.002","75.896","0.002","73.037","0.002","87.394","0.002","2892.6","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-propylpyrogallol[4]arene with xanthone","","","- C62.07 H83.3 O17.35 -","- C62.07 H83.3 O17.357 -","- C124.14 H166.6 O34.714 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.1111","0.0968","","","0.2671","0.2823","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511695","12.7772","0.0008","13.0828","0.0009","15.464","0.001","97.204","0.001","90.784","0.001","97.8","0.001","2539.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-propylpryogallol[4]arene with xanthone","","","- C57 H68 O16 -","- C57 H68 O16 -","- C114 H136 O32 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0598","0.0435","","","0.1101","0.1203","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511696","9.513","0.002","10.681","0.004","10.952","0.002","98.71","0.02","98.47","0.02","115.03","0.03","968.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Cd4 Cl8 N4 O4 -","- C28 H36 Cd4 Cl8 N4 O4 -","- C28 H36 Cd4 Cl8 N4 O4 -","1","0.5","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0664","0.0595","","","0.1832","0.1996","","","","","","1.085","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511697","7.7819","0.0004","11.6662","0.0005","12.4557","0.0008","90","","90","","90","","1130.79","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 Cd Cl3 N O -","- C7 H10 Cd Cl3 N O -","- C28 H40 Cd4 Cl12 N4 O4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0314","0.0245","","","0.0427","0.045","","","","","","1.032","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511698","9.8733","0.0005","20.4901","0.0011","17.2559","0.0008","90","","94.89","0.005","90","","3478.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cd5 Cl12 N2 O5 -","- C14 H20 Cd5 Cl12 N2 O5 -","- C56 H80 Cd20 Cl48 N8 O20 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.54184","CuKα","","0.1271","0.114","","","0.2728","0.2954","","","","","","1.116","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511699","7.6262","0.0005","7.4531","0.0003","7.6295","0.0005","90","","115.423","0.008","90","","391.66","0.05","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cd O5 S -","- Cd O5 S -","- Cd4 O20 S4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.5418","CuKα","","0.04","0.0399","","","0.1049","0.105","","","","","","1.117","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511700","9.5274","0.0002","7.1161","0.0002","26.9956","0.0006","90","","90","","90","","1830.25","0.08","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cd2 Cl4 N2 O2 -","- C12 H14 Cd2 Cl4 N2 O2 -","- C48 H56 Cd8 Cl16 N8 O8 -","4","0.5","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0198","0.0188","","","0.0452","0.0457","","","","","","1.089","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511701","6.5278","0.0003","15.3457","0.0006","11.3396","0.0004","90","","105.729","0.004","90","","1093.39","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cd Cl2 N O -","- C8 H11 Cd Cl2 N O -","- C32 H44 Cd4 Cl8 N4 O4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0307","0.0261","","","0.0593","0.0621","","","","","","1.158","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511702","22.4932","0.0004","7.5119","0.0001","11.9686","0.0002","90","","90","","90","","2022.29","0.06","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Cd2 Cl6 N2 O2 -","- C12 H16 Cd2 Cl6 N2 O2 -","- C48 H64 Cd8 Cl24 N8 O8 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.5418","CuKα","","0.0469","0.0467","","","0.1248","0.1252","","","","","","1.03","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511703","7.5743","0.0003","11.1535","0.0004","13.5879","0.0005","90","","90","","90","","1147.91","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cd Cl3 N O -","- C8 H12 Cd Cl3 N O -","- C32 H48 Cd4 Cl12 N4 O4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.5418","CuKα","","0.0225","0.0225","","","0.0597","0.0597","","","","","","1.196","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511704","6.3708","0.0007","6.8768","0.0008","12.2249","0.0014","95.797","0.002","97.358","0.002","105.452","0.002","506.83","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cu N4 O8 -","- C20 H22 Cu N4 O8 -","- C20 H22 Cu N4 O8 -","1","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal–Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0347","0.0307","","","0.1022","0.1192","","","","","","1.098","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511705","12.6539","0.0011","7.0526","0.0006","24.631","0.002","90","","96.754","0.002","90","","2182.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cu2 N4 O8.3 -","- C20 H17 Cu2 N4 O8.3 -","- C80 H68 Cu8 N16 O33.2 -","4","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0429","0.0318","","","0.1108","0.1359","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511706","10.5253","0.0014","13.2136","0.0018","7.3239","0.001","90","","92.775","0.003","90","","1017.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cl Cu N2 O2 -","- C10 H7 Cl Cu N2 O2 -","- C40 H28 Cl4 Cu4 N8 O8 -","4","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0636","0.053","","","0.1897","0.2113","","","","","","1.001","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511707","13.4425","0.0013","14.4204","0.0013","20.4469","0.0019","90","","108.168","0.002","90","","3766","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H51.5 Cu3 N12 O20 -","- C60 H42 Cu3 N12 O19.8 -","- C120 H84 Cu6 N24 O39.6 -","2","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0873","0.0688","","","0.2238","0.2501","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511708","10.1459","0.0003","10.1459","0.0003","23.8634","0.0017","90","","90","0.001","90","","2456.5","0.2","296","2","296","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C20 H18 Cd N4 O7 -","- C20 H18 Cd N4 O7 -","- C80 H72 Cd4 N16 O28 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0456","0.0319","","","0.0946","0.1008","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511709","7.5104","0.001","22.82","0.003","10.8562","0.0014","90","","90","","90","","1860.6","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H14 Cd N4 O4 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0224","0.0201","","","0.0505","0.0515","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511710","16.1322","0.0018","15.7981","0.0018","11.6042","0.0013","90","","90","","90","","2957.4","0.6","200","","200","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H28 Cd N6 O6 -","- C26 H28 Cd N6 O6 -","- C104 H112 Cd4 N24 O24 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0436","0.0348","","","0.0896","0.0927","","","","","","1.055","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511711","13.202","0.004","27.475","0.008","7.641","0.002","90","","123.254","0.004","90","","2317.7","1.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H30 Cd2 N8 O9 -","- C40 H30 Cd2 N8 O9 -","- C80 H60 Cd4 N16 O18 -","2","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.064","0.0511","","","0.1151","0.1194","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511712","8.4831","0.0005","10.06","0.0006","12.0787","0.0007","113.522","0.001","92.857","0.001","105.586","0.001","895.88","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N4 O5 Zn -","- C20 H16 N4 O5 Zn -","- C40 H32 N8 O10 Zn2 -","2","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0361","0.0313","","","0.1109","0.1339","","","","","","1.069","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511713","16.0788","0.0015","15.177","0.0015","11.3011","0.0011","90","","90","","90","","2757.8","0.5","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0513","0.0319","","","0.0859","0.0956","","","","","","0.98","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511714","15.9834","0.0015","15.2006","0.0014","11.3984","0.0011","90","","90","","90","","2769.3","0.5","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 Co N4 O4 -","- C20 H14 Co N4 O4 -","- C80 H56 Co4 N16 O16 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0583","0.0414","","","0.1355","0.1435","","","","","","1.045","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511715","12.065","0.005","11.414","0.005","13.752","0.005","90","","92.538","0.007","90","","1891.9","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N4 O6 -","- C19 H22 N4 O6 -","- C76 H88 N16 O24 -","4","1","","Krasnov, Konstantin A.; Khrustalev, Victor N.","Diastereoselective T-Reaction of 1-Alkyl-5-(5-nitro-2-N-morpholino-benzylidene)barbituric Acids in the Solid State: Synthesis of 1-Alkyl-2,4,6-trioxoperhydropyrimidino-5-spiro-10′-(7′-nitro-1′,3′,4′,9′,10′,10a′-hexahydro-2′-oxa)-4a′-azaphenanthrenes and Their 2′-Thia Analogues","Crystal Growth & Design","2014","14","8","3975","","10.1021/cg500570u","","","0.71073","MoKα","","0.1114","0.0552","","","0.1006","0.1168","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511716","6.7833","0.0003","11.0656","0.0005","13.3501","0.0006","70.288","0.001","87.062","0.001","84.885","0.001","939.36","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O6 -","- C19 H22 N4 O6 -","- C38 H44 N8 O12 -","2","1","","Krasnov, Konstantin A.; Khrustalev, Victor N.","Diastereoselective T-Reaction of 1-Alkyl-5-(5-nitro-2-N-morpholino-benzylidene)barbituric Acids in the Solid State: Synthesis of 1-Alkyl-2,4,6-trioxoperhydropyrimidino-5-spiro-10′-(7′-nitro-1′,3′,4′,9′,10′,10a′-hexahydro-2′-oxa)-4a′-azaphenanthrenes and Their 2′-Thia Analogues","Crystal Growth & Design","2014","14","8","3975","","10.1021/cg500570u","","","0.71073","MoKα","","0.0479","0.0397","","","0.1019","0.1071","","","","","","1.001","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511717","14.066","0.003","17.611","0.004","24.426","0.005","98.68","0.03","95.62","0.03","91.79","0.03","5946","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H67.5 N4 O27.75 S4 -","- C56 H44 N4 O27.75 S4 -","- C224 H176 N16 O111 S16 -","4","2","","Wang, Kui; Yang, En-Cui; Zhao, Xiao-Jun; Dou, Hong-Xi; Liu, Yu","Molecular Binding Behaviors of Sulfonated Calixarenes with Phenanthroline-diium in Aqueous Solution and Solid State: Cavity Size Governing Capsule Formation","Crystal Growth & Design","2014","14","9","4631","","10.1021/cg500730m","","","0.71073","MoKα","","0.1272","0.1045","","","0.2488","0.2649","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511718","12.354","0.003","14.404","0.003","16.103","0.003","69.19","0.03","88.31","0.03","82.76","0.03","2656.8","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 N4 O20 S8 -","- C52 H36 N4 O20 S8 -","- C104 H72 N8 O40 S16 -","2","1","","Wang, Kui; Yang, En-Cui; Zhao, Xiao-Jun; Dou, Hong-Xi; Liu, Yu","Molecular Binding Behaviors of Sulfonated Calixarenes with Phenanthroline-diium in Aqueous Solution and Solid State: Cavity Size Governing Capsule Formation","Crystal Growth & Design","2014","14","9","4631","","10.1021/cg500730m","","","0.71073","MoKα","","0.0596","0.0436","","","0.1247","0.1333","","","","","","1.099","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511719","11.177","0.002","14.903","0.003","19.97","0.004","95.73","0.03","93.96","0.03","94.51","0.03","3289.6","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H71 N4 O30.5 S5 -","- C63 H49 N4 O30.5 S5 -","- C126 H98 N8 O61 S10 -","2","1","","Wang, Kui; Yang, En-Cui; Zhao, Xiao-Jun; Dou, Hong-Xi; Liu, Yu","Molecular Binding Behaviors of Sulfonated Calixarenes with Phenanthroline-diium in Aqueous Solution and Solid State: Cavity Size Governing Capsule Formation","Crystal Growth & Design","2014","14","9","4631","","10.1021/cg500730m","","","0.71073","MoKα","","0.0864","0.0734","","","0.2053","0.2187","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511720","11.632","0.003","14.062","0.003","8.24","0.001","90","","107.01","0.01","90","","1288.8","0.5","220","","220","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","molecular complex (1:1) of paraldehyde with chloroform","2,4,6-trimethyl-1,3,5-trioxane tribromomethane (1:1)","","- C7 H13 Br3 O3 -","- C7 H13 Br3 O3 -","- C28 H52 Br12 O12 -","4","1","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.1224","0.0554","","","0.1238","0.1465","","","","","","0.974","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511721","11.579","0.009","13.627","0.01","7.941","0.004","90","","107","0.015","90","","1198.2","1.4","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","molecular complex (1:1) of paraldehyde with chloroform","2,4,6-trimethyl-1,3,5-trioxane trichloromethane (1:1)","","- C7 H13 Cl3 O3 -","- C7 H13 Cl3 O3 -","- C28 H52 Cl12 O12 -","4","1","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.063","0.0386","","","0.0941","0.1077","","","","","","1.087","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511722","12.016","0.002","10.6738","0.0014","4.4634","0.0005","90","","90","","90","","572.46","0.14","230","0.2","230","0.2","","","","","","","","4","P m n 21","P 2ac -2","31","molecular complex (1:1) of paraldehyde with dibromomethane","2,4,6-trimethyl-1,3,5-trioxane dibromomethane (1:1)","","- C7 H14 Br2 O3 -","- C7 H14 Br2 O3 -","- C14 H28 Br4 O6 -","2","0.5","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","","0.0586","0.0444","","","0.1134","0.1223","","","","","","0.984","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511723","11.703","0.003","10.49","0.002","4.4154","0.0007","90","","90","","90","","542.05","0.19","210","","210","","","","","","","","","4","P m n 21","P 2ac -2","31","molecular complex (1:1) of paraldehyde with dichloromethane","2,4,6-trimethyl-1,3,5-trioxane dichloromethane (1:1)","","- C7 H14 Cl2 O3 -","- C7 H14 Cl2 O3 -","- C14 H28 Cl4 O6 -","2","0.5","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.0531","0.0356","","","0.0894","0.1012","","","","","","1.023","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511724","12.8475","0.0012","8.1256","0.0005","14.3082","0.0013","90","","90","","90","","1493.7","0.2","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","paraldehyde","2,4,6-trimethyl-1,3,5-trioxane","","- C6 H12 O3 -","- C6 H12 O3 -","- C48 H96 O24 -","8","1","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.0468","0.0328","","","0.0868","0.0985","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511725","5.7118","0.0002","15.0846","0.0004","15.2666","0.0004","90","","90","","90","","1315.37","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-1-(4-Methylphenyl)-5-phenylpent-2-en-4-yn-1-one","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","1.54178","CuKα","","0.03","0.0287","","","0.0783","0.0793","","","","","","0.996","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511726","5.402","0.003","14.878","0.008","16.625","0.01","90","","90","","90","","1336.2","1.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-1-(4-Methoxyphenyl)-5-phenylpent-2-en-4-yn-1-one","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","0.71073","MoKα","","0.0889","0.0475","","","0.0804","0.0945","","","","","","1.003","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511727","15.1646","0.0005","5.5972","0.0002","16.652","0.0005","90","","92.678","0.002","90","","1411.87","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1,5-Bis(4-methylphenyl)-pent-2-en-4-yn-1-one","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","1.54178","CuKα","","0.0426","0.0363","","","0.0861","0.091","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511728","14.2242","0.0007","5.7666","0.0003","34.8348","0.0016","90","","90","","90","","2857.3","0.2","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(E)-1-(4-Chlorophenyl)-5-(4-methylphenylpent)-2-en-4-yn-1-one","","- C18 H13 Cl O -","- C18 H13 Cl O -","- C144 H104 Cl8 O8 -","8","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","1.54178","CuKα","","0.0692","0.0554","","","0.1313","0.1428","","","","","","0.998","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511729","15.1861","0.0019","10.2844","0.0012","16.0453","0.0019","90","","90","","90","","2506","0.5","140","2","140","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-1,5-Diphenyl)-pent-4-en-2-yn-1-one","","- C17 H12 O -","- C17 H12 O -","- C136 H96 O8 -","8","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","0.71073","MoKα","","0.0645","0.0423","","","0.0844","0.0998","","","","","","1.014","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511730","13.5242","0.0002","13.479","0.00029","23.9472","0.0005","90","","100.92","0.0011","90","","4286.36","0.14","298","2","298","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","1,4-bis[4-estren-17?-ethynyl-18a-homo-17?-ol-3-one]-benzene","","- C50 H61 N O4 -","- C50 H61 N O4 -","- C200 H244 N4 O16 -","4","2","","Ramirez-Montes, Pedro I.; Ochoa, María E.; Santillan, Rosa; Ramírez, Daniel J.; Farfán, Norberto","Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation,Z′ > 1 and Packing","Crystal Growth & Design","2014","14","9","4681","","10.1021/cg500772f","","x-ray","0.71073","MoKα","","0.1415","0.0938","","","0.2083","0.232","","","","","","1.14","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511731","21.2058","0.0007","17.4701","0.0011","17.1129","0.0008","90","","125.14","0.0022","90","","5184.3","0.5","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","1,4-bis(17?-hydroxy-17?-ethynyl-4-estren-3-one)-2,3-difluorobenzene","","- C46 H52 F2 O4 -","- C46 H52 F2 O4 -","- C184 H208 F8 O16 -","4","1","","Ramirez-Montes, Pedro I.; Ochoa, María E.; Santillan, Rosa; Ramírez, Daniel J.; Farfán, Norberto","Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation,Z′ > 1 and Packing","Crystal Growth & Design","2014","14","9","4681","","10.1021/cg500772f","","x-ray","0.71073","MoKα","","0.1999","0.106","","","0.2651","0.3298","","","","","","1.027","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511732","13.4822","0.0002","13.4861","0.0002","24.1921","0.0004","90","","96.0156","0.0007","90","","4374.44","0.12","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,4-bis(18a-Homo-17?-hydroxy-17?-ethynyl-4-estren-3-one) -2,3-difluorobenzene","","- C50 H59 F2 N O4 -","- C50 H59 F2 N O4 -","- C200 H236 F8 N4 O16 -","4","2","","Ramirez-Montes, Pedro I.; Ochoa, María E.; Santillan, Rosa; Ramírez, Daniel J.; Farfán, Norberto","Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation,Z′ > 1 and Packing","Crystal Growth & Design","2014","14","9","4681","","10.1021/cg500772f","","x-ray","0.71073","MoKα","","0.1203","0.0767","","","0.1694","0.1904","","","","","","1.108","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511733","12.3691","0.0005","12.3715","0.0009","15.6775","0.0011","90.07","0.006","113.174","0.005","119.983","0.006","1850.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H18 Cu6 N6 O12 S6 -","- C36 H18 Cu6 N6 O12 S6 -","- C36 H18 Cu6 N6 O12 S6 -","1","0.5","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6–and [Ag6(Hmna)2(mna)4]4–(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.1019","0.0668","","","0.1901","0.2189","","","","","","0.976","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511734","12.4305","0.0004","12.4305","0.0004","33.8994","0.0017","90","","90","","120","","4536.3","0.3","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","Cu,Mn-2-mercaptonicotinic acid","","","- C36 H54 Cu6 Mn3 N6 O30 S6 -","- C36 H54 Cu6 Mn3 N6 O30 S6 -","- C108 H162 Cu18 Mn9 N18 O90 S18 -","3","0.166667","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.0495","0.037","","","0.0662","0.0713","","","","","","1.037","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511735","12.3484","0.0006","12.466","0.0005","14.098","0.0008","97.148","0.004","108.384","0.005","119.315","0.005","1690.7","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","Cu,Mn-2mercaptonicotinic acid red","","","- C18 H24 Cu3 Mn2 N3 O16 S3 -","- C18 H24 Cu3 Mn2 N3 O16 S3 -","- C36 H48 Cu6 Mn4 N6 O32 S6 -","2","1","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.0382","0.0338","","","0.0798","0.0829","","","","","","1.031","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511736","22.5369","0.0005","12.3093","0.0002","25.3732","0.0005","90","","107.09","0.002","90","","6728.1","0.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Ag,Mn-2-mercaptonicotinic acid","","","- C36 H18 Ag6 Mn2 N6 O37 S6 -","- C36 H18 Ag6 Mn2 N6 O37 S6 -","- C144 H72 Ag24 Mn8 N24 O148 S24 -","4","0.5","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.0481","0.0418","","","0.1072","0.1113","","","","","","1.052","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511737","17.301","0.003","17.301","0.003","10.1195","0.0017","90","","90","","90","","3029","0.9","150","2","150","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C14 H12 Li2 O10 -","- C10 H4 Li2 O8 -","- C80 H32 Li16 O64 -","8","0.25","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0454","0.0434","","","0.1237","0.125","","","","","","1.207","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511738","5.0422","0.0003","7.1471","0.0005","7.2031","0.0005","83.237","0.002","76.586","0.002","81.731","0.002","248.91","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 Li2 O8 -","- C10 H4 Li2 O8 -","- C10 H4 Li2 O8 -","1","0.5","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0374","0.0319","","","0.084","0.0884","","","","","","1.063","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511739","4.9748","0.0002","37.2189","0.0012","16.0246","0.0005","90","","92.582","0.001","90","","2964.05","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Li N6 O11 -","- C24 H17 Li N6 O7 -","- C96 H68 Li4 N24 O28 -","4","1","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0961","0.0746","","","0.2127","0.2254","","","","","","1.069","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511740","18.6108","0.0007","18.6108","0.0007","19.3734","0.0007","90","","90","","120","","5811.2","0.4","150","2","150","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C86 H101 Li11 O58 -","- C66 H48 Li11 O48.02 -","- C132 H96 Li22 O96.04 -","2","0.166667","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0929","0.083","","","0.2617","0.2724","","","","","","1.09","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511741","16.3128","0.0004","16.4758","0.0005","29.1404","0.0008","90","","91.924","0.001","90","","7827.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H84 Li5 N7 O27 -","- C57 H63 Li5 N6 O25 -","- C228 H252 Li20 N24 O100 -","4","1","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.123","0.1004","","","0.3227","0.3444","","","","","","1.365","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511742","7.741","0.005","9.604","0.005","10.2","0.005","113.291","0.005","107.492","0.005","92.45","0.005","652.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Mo6 N4 O19 -","- C14 H14 Mo6 N4 O19 -","- C14 H14 Mo6 N4 O19 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71069","MoKα","","0.0293","0.0285","","","0.0885","0.0892","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511743","11.4391","0.0005","11.9757","0.0005","12.3265","0.0006","67.301","0.001","87.752","0.001","73.715","0.001","1490.78","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cu Mo4 N6 O14 -","- C21 H20 Cu Mo4 N6 O14 -","- C42 H40 Cu2 Mo8 N12 O28 -","2","1","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71073","MoKα","","0.0434","0.0295","","","0.0639","0.0699","","","","","","1.013","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511744","9.9705","0.0016","11.4405","0.0019","13.258","0.002","76.876","0.002","78.266","0.003","65.948","0.003","1334.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 N8 O40 P W12 -","- C28 H28 N8 O40 P W12 -","- C28 H28 N8 O40 P W12 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71073","MoKα","","0.077","0.0593","","","0.1452","0.1529","","","","","","1.059","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511745","15.117","0.005","24.346","0.005","24.353","0.005","90","0.005","99.291","0.005","90","0.005","8845","4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H55 Cu2 N16 O40 P W12 -","- C56 H55 Cu2 N16 O40 P W12 -","- C224 H220 Cu8 N64 O160 P4 W48 -","4","1","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71069","MoKα","","0.1071","0.0835","","","0.223","0.2372","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511746","14.505","0.005","15.007","0.005","22.506","0.005","88.425","0.005","83.881","0.005","81.521","0.005","4818","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H55 Cu N14 O65 P2 W18 -","- C49 H49 Cu N14 O65 P2 W18 -","- C98 H98 Cu2 N28 O130 P4 W36 -","2","1","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71069","MoKα","","0.0835","0.0585","","","0.1486","0.1671","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511747","13.152","0.005","25.208","0.005","34.395","0.005","90","0.005","98.43","0.005","90","0.005","11280","5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Cu3 K N12 O62 P2 W18 -","- C42 H42 Cu3 K N12 O62 P2 W18 -","- C168 H168 Cu12 K4 N48 O248 P8 W72 -","4","1","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71069","MoKα","","0.0922","0.0718","","","0.1864","0.1975","","","","","","0.926","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511749","11.1905","0.0003","11.1905","0.0003","26.6938","0.0015","90","","90","","120","","2894.9","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 Gd N4 O9 -","- C18 H13 Gd N4 O9 -","- C108 H78 Gd6 N24 O54 -","6","1","","Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand","Crystal Growth & Design","2014","14","9","4729","","10.1021/cg500827u","","","0.71073","MoKα","","0.0166","0.0166","","","0.0393","0.0393","","","","","","1.042","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511750","11.1955","0.0003","11.1955","0.0003","26.7384","0.0014","90","","90","","120","","2902.37","0.19","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Eu N4 O9 -","- C18 H13 Eu N4 O9 -","- C108 H78 Eu6 N24 O54 -","6","1","","Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand","Crystal Growth & Design","2014","14","9","4729","","10.1021/cg500827u","","","0.71073","MoKα","","0.0163","0.0159","","","0.0385","0.0387","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511751","11.1793","0.0003","11.1793","0.0003","26.6236","0.0015","90","","90","","120","","2881.6","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 N4 O9 Tb -","- C18 H13 N4 O9 Tb -","- C108 H78 N24 O54 Tb6 -","6","1","","Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand","Crystal Growth & Design","2014","14","9","4729","","10.1021/cg500827u","","","0.71073","MoKα","","0.0187","0.0186","","","0.0448","0.0449","","","","","","1.018","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511752","13.22953","0.0002","4.69411","0.000068","6.06453","0.000094","90","","90","","90","","376.613","0.01","743","","743","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","potassium metaarsenate, alpha","","","- As K O3 -","- As K O3 -","- As4 K4 O12 -","4","1","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","powder diffraction","","1.54056","CuKα~1~","","0.0509","","","","","","","","5.298","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511753","8.9167","0.0009","19.0517","0.0019","12.1362","0.0011","90","","90.149","0.005","90","","2061.7","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","potassium metaarsenate, beta","","","- As K O3 -","- As K O3 -","- As24 K24 O72 -","24","6","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.0906","0.0314","","","0.0284","0.0336","","","","1.31","1.31","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511754","8.9748","0.0003","19.1172","0.0006","12.166","0.0003","90","","90.1844","0.0018","90","","2087.35","0.11","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","potassium metaarsenate, beta","","","- As K O3 -","- As K O3 -","- As24 K24 O72 -","24","6","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.1239","0.0317","","","0.0278","0.0363","","","","1.24","1.24","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511755","9.0332","0.0004","19.187","0.0008","12.184","0.0005","90","","90.235","0.003","90","","2111.71","0.15","450","","450","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","potassium metaarsenate, beta","","","- As K O3 -","- As K O3 -","- As24 K24 O72 -","24","6","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.0926","0.028","","","0.026","0.0313","","","","1.31","1.31","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511756","9.192","0.004","10.285","0.004","11.992","0.003","105.74","0.03","90","0.04","103.69","0.04","1057.7","0.7","573","","573","","","","","","","","","3","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","","","- As K O3 -","- As K O3 -","- As12 K12 O36 -","12","","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.7107","MoKα","","0.2063","0.1203","","","0.1492","0.1622","","","","3.31","3.31","2.01","","","","has coordinates","288070","2023-12-06","12:55:45",""
"4511757","9.0742","0.0017","10.2593","0.0017","12.007","0.004","105.375","0.008","90.02","0.03","104.188","0.008","1042.4","0.4","340","","340","","","","","","","","","4","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","potassium metaarsenate, beta","","","- As K0.798 O3 Rb0.202 -","- As K0.797667 O3 Rb0.202333 -","- As12 K9.572 O36 Rb2.428 -","12","","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.1091","0.0424","","","0.0403","0.0458","","","","1.44","1.44","1.16","","","","has coordinates","288070","2023-12-06","12:56:01",""
"4511758","11.3246","0.0001","11.4255","0.0004","4.8816","0.0003","90","","90","","90","","631.63","0.05","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","potassium metaarsenate, gamma","","","- As K O3 -","- As K O3 -","- As8 K8 O24 -","8","1","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.0332","0.0257","","","0.0441","0.0445","","","","3.04","3.04","2.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511759","25.5845","0.0007","24.5597","0.0007","19.0518","0.0007","90","","105.291","0.004","90","","11547.4","0.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H126 Co2 Fe4 N6 O26 -","- C80 H126 Co1.98 Fe4.02 N6 O26 -","- C320 H504 Co7.92 Fe16.08 N24 O104 -","4","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch.; Filippova, Irina G.; Hauser, Jürg; Speldrich, Manfred; Hermann, Raphaël P.; Krämer, Karl W.; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.","Interpenetrated (8,3)-c and (10,3)-b Metal‒Organic Frameworks Based on {FeIII3} and {FeIII2CoII} Pivalate Spin Clusters","Crystal Growth & Design","2014","14","9","4721","","10.1021/cg5008236","","","0.71073","MoKα","","0.0936","0.0667","","","0.1942","0.2119","","","","","","1.001","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511760","38.8452","0.0008","38.8452","0.0008","24.8241","0.0007","90","","90","","120","","32439.9","1.3","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C91.5 H169 Cl3 Fe6 N6 O44 -","- C91.5 H134.484 Cl3 Fe6 N6 O31.01 -","- C732 H1075.87 Cl24 Fe48 N48 O248.08 -","8","0.333333","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch.; Filippova, Irina G.; Hauser, Jürg; Speldrich, Manfred; Hermann, Raphaël P.; Krämer, Karl W.; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.","Interpenetrated (8,3)-c and (10,3)-b Metal‒Organic Frameworks Based on {FeIII3} and {FeIII2CoII} Pivalate Spin Clusters","Crystal Growth & Design","2014","14","9","4721","","10.1021/cg5008236","","","0.71073","MoKα","","0.139","0.0849","","","0.2254","0.2464","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511761","6.2062","0.0018","12.573","0.005","22.12","0.01","90","","90","","90","","1726","1.2","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Sarkar, Anindita; Ragab, Doaa; Rohani, Sohrab","Polymorphism of Progesterone: A New Approach for the Formation of Form II and the Relative Stabilities of Form I and Form II","Crystal Growth & Design","2014","14","9","4574","","10.1021/cg5006727","","","0.71073","MoKα","","0.0942","0.0498","","","0.088","0.1031","","","","","","0.989","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511762","25.5408","0.0003","6.8099","0.0001","16.3783","0.0002","90","","95.373","0.001","90","","2836.17","0.06","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 N16 O4 -","- C8 N16 O4 -","- C64 N128 O32 -","8","1","","Suponitsky, Kyrill Yu.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Kozeev, Andrei M.; Sheremetev, Aleksei B.","Role of Weak Intermolecular Interactions in the Crystal Structure of Tetrakis-furazano[3,4-c:3′,4′-g:3″,4″-k:3‴,4‴-o][1,2,5,6,9,10,13,14]octaazacyclohexadecine and Its Solvates","Crystal Growth & Design","2014","14","9","4439","","10.1021/cg500533f","","","0.71073","MoKα","","0.0621","0.0418","","","0.1122","0.1287","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511763","30.418","0.0005","7.0834","0.0001","16.039","0.0002","90","","108.686","0.001","90","","3273.65","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H2 Cl N16 O4 -","- C9 H2 Cl N16 O4 -","- C72 H16 Cl8 N128 O32 -","8","1","","Suponitsky, Kyrill Yu.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Kozeev, Andrei M.; Sheremetev, Aleksei B.","Role of Weak Intermolecular Interactions in the Crystal Structure of Tetrakis-furazano[3,4-c:3′,4′-g:3″,4″-k:3‴,4‴-o][1,2,5,6,9,10,13,14]octaazacyclohexadecine and Its Solvates","Crystal Growth & Design","2014","14","9","4439","","10.1021/cg500533f","","","0.71073","MoKα","","0.0633","0.0402","","","0.1082","0.1371","","","","","","1.145","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511764","15.1136","0.0017","6.5756","0.0008","18.463","0.002","90","","113.538","0.002","90","","1682.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H3 N17 O4 -","- C10 H3 N17 O4 -","- C40 H12 N68 O16 -","4","1","","Suponitsky, Kyrill Yu.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Kozeev, Andrei M.; Sheremetev, Aleksei B.","Role of Weak Intermolecular Interactions in the Crystal Structure of Tetrakis-furazano[3,4-c:3′,4′-g:3″,4″-k:3‴,4‴-o][1,2,5,6,9,10,13,14]octaazacyclohexadecine and Its Solvates","Crystal Growth & Design","2014","14","9","4439","","10.1021/cg500533f","","","0.71073","MoKα","","0.0633","0.0391","","","0.0851","0.0961","","","","","","1.006","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511765","5.8452","0.0004","14.3835","0.0009","21.7712","0.0013","90","","92.205","0.003","90","","1829","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O3 S2 -","- C19 H17 N3 O3 S2 -","- C76 H68 N12 O12 S8 -","4","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug–Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0404","0.0343","","","0.14","0.1477","","","","","","1.262","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511766","8.5613","0.0006","15.6676","0.0009","32.2872","0.0019","90","","90","","90","","4330.8","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N6 O4 S -","- C20 H22 N6 O4 S -","- C160 H176 N48 O32 S8 -","8","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug–Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0848","0.0588","","","0.1747","0.1923","","","","","","1.212","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511767","11.408","0.002","11.644","0.003","18.448","0.004","90","","101.324","0.014","90","","2402.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C108 H88 N8 O16 S4 -","4","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug–Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0723","0.0404","","","0.1212","0.1461","","","","","","0.935","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511768","22.293","0.002","7.7975","0.0007","16.0553","0.0014","90","","91.814","0.005","90","","2789.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O9 S -","- C29 H28 N2 O9 S -","- C116 H112 N8 O36 S4 -","4","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug–Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.1829","0.0694","","","0.16","0.2169","","","","","","0.964","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511769","17.231","0.007","16.772","0.007","20.727","0.008","90","","90","","90","","5990","4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H32 N10 O6 S -","- C28 H32 N10 O6 S -","- C224 H256 N80 O48 S8 -","8","2","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug–Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.1394","0.0724","","","0.1663","0.2028","","","","","","0.969","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511770","13.2304","0.0002","30.2578","0.0005","13.691","0.0003","90","","102.448","0.001","90","","5351.98","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 N6 O6 S3 -","- C24 H28 N6 O6 S3 -","- C192 H224 N48 O48 S24 -","8","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug–Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0685","0.0405","","","0.1223","0.1448","","","","","","0.944","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511771","5.6515","0.0002","15.9119","0.0004","32.7063","0.0009","90","","90","","90","","2941.15","0.15","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N2 S2 -","- C7 H5 N2 S2 -","- C112 H80 N32 S32 -","16","4","","Domagała, Sławomir; Kosc, Krzysztof; Robinson, Sean W.; Haynes, Delia A.; Woźniak, Krzysztof","Dithiadiazolyl Radicals—Structures and Charge Densities of Their Crystals and Co-Crystal","Crystal Growth & Design","2014","14","9","4834","","10.1021/cg501013x","","x-ray","0.71073","MOKα","","0.0132","0.0132","","","0.0134","0.0134","","","","","","1.662","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511772","17.988","0.0009","10.6195","0.0005","10.8053","0.0005","90","","123.369","0.002","90","","1723.8","0.15","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 F5 N2 S2 -","- C7 F5 N2 S2 -","- C56 F40 N16 S16 -","8","1","","Domagała, Sławomir; Kosc, Krzysztof; Robinson, Sean W.; Haynes, Delia A.; Woźniak, Krzysztof","Dithiadiazolyl Radicals—Structures and Charge Densities of Their Crystals and Co-Crystal","Crystal Growth & Design","2014","14","9","4834","","10.1021/cg501013x","","x-ray","0.71073","MOKα","","0.01","0.01","","","0.0114","0.0114","","","","","","1.984","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511773","11.3455","0.0004","11.6462","0.0004","12.1589","0.0005","90","","94.707","0.002","90","","1601.16","0.1","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 F5 N4 S4 -","- C14 H5 F5 N4 S4 -","- C56 H20 F20 N16 S16 -","4","1","","Domagała, Sławomir; Kosc, Krzysztof; Robinson, Sean W.; Haynes, Delia A.; Woźniak, Krzysztof","Dithiadiazolyl Radicals—Structures and Charge Densities of Their Crystals and Co-Crystal","Crystal Growth & Design","2014","14","9","4834","","10.1021/cg501013x","","x-ray","0.71073","MOKα","","0.0122","0.0122","","","0.0085","0.0085","","","","","","1.611","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511785","7.9669","0.0005","9.9375","0.0007","8.7046","0.0005","90","","90.186","0.005","90","","689.15","0.08","130","2","130","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H6 Li N O4 -","- C6 H6 Li N O4 -","- C24 H24 Li4 N4 O16 -","4","1","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0513","0.0475","","","0.1387","0.1412","","","","","","1.205","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511786","13.5472","0.0006","8.7132","0.0005","10.7662","0.0004","90","","99.987","0.004","90","","1251.58","0.1","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Li N O3 -","- C6 H4 Li N O3 -","- C48 H32 Li8 N8 O24 -","8","1","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0429","0.0353","","","0.0919","0.0964","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511787","7.9541","0.0002","9.8412","0.0003","8.8672","0.0003","90","","95.5","0.003","90","","690.91","0.04","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ca N2 O8 -","- C12 H12 Ca N2 O8 -","- C24 H24 Ca2 N4 O16 -","2","0.5","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0409","0.0389","","","0.0983","0.1015","","","","","","1.122","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511788","7.0489","0.0006","10.8422","0.0007","8.0341","0.0007","90","","107.826","0.009","90","","584.53","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ca N2 O6 -","- C12 H8 Ca N2 O6 -","- C24 H16 Ca2 N4 O12 -","2","0.5","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0679","0.0581","","","0.1654","0.1752","","","","","","1.151","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511789","7.9338","0.0001","9.8353","0.0001","8.8614","0.0002","90","","95.497","0.002","90","","688.287","0.019","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ca N2 O8 -","- C12 H12 Ca N2 O8 -","- C24 H24 Ca2 N4 O16 -","2","0.5","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0374","0.0359","","","0.0989","0.1007","","","","","","1.087","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511790","5.8501","0.0005","7.8284","0.0006","13.0761","0.0012","74.624","0.008","83.442","0.007","86.913","0.007","573.46","0.09","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","1","0.5","","Calvo-Castro, Jesus; Warzecha, Monika; Kennedy, Alan R.; McHugh, Callum J.; McLean, Andrew J.","Impact of Systematic Structural Variation on the Energetics of π–π Stacking Interactions and Associated Computed Charge Transfer Integrals of Crystalline Diketopyrrolopyrroles","Crystal Growth & Design","2014","14","9","4849","","10.1021/cg5010165","","","1.5418","CuKα","","0.0457","0.0404","","","0.1073","0.1113","","","","","","1.074","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511791","7.9661","0.0003","8.3365","0.0001","14.932","0.001","76.996","0.012","89.811","0.014","63.693","0.009","860.83","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H6 Cl2 Cu N5 O2 S -","- C14 H6 Cl2 Cu N5 O2 S -","- C28 H12 Cl4 Cu2 N10 O4 S2 -","2","1","","Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał","New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains","Crystal Growth & Design","2014","14","10","4878","","10.1021/cg500906w","","","0.71073","MoKα","","0.1141","0.0688","","","0.1784","0.2061","","","","","","0.899","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511792","6.568","0.005","10.251","0.005","16.7","0.005","90","","90.825","0.005","90","","1124.3","1.1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 K N4 O2 S -","- C12 H6 K N4 O2 S -","- C48 H24 K4 N16 O8 S4 -","4","1","","Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał","New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains","Crystal Growth & Design","2014","14","10","4878","","10.1021/cg500906w","","","0.71073","MoKα","","0.0591","0.0397","","","0.0798","0.0877","","","","","","1.033","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511793","4.5099","0.0007","14.472","0.002","16.237","0.003","90","","92.832","0.002","90","","1058.5","0.3","100","1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 O2 S -","- C12 H6 N4 O2 S -","- C48 H24 N16 O8 S4 -","4","1","","Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał","New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains","Crystal Growth & Design","2014","14","10","4878","","10.1021/cg500906w","","","0.71073","MoKα","","0.0571","0.0375","","","0.09","0.0983","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511794","3.8047","0.0008","14.994","0.002","17.142","0.002","90","","89.883","0.009","90","","977.9","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 S -","- C12 H6 N4 S -","- C48 H24 N16 S4 -","4","1","","Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał","New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains","Crystal Growth & Design","2014","14","10","4878","","10.1021/cg500906w","","","0.71073","MoKα","","0.2141","0.1915","","","0.4376","0.4495","","","","","","1.087","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511795","15.761","0.003","29.264","0.006","16.66","0.003","90","","108.583","0.003","90","","7283","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H176 Dy4 K4 N18 O52 -","- C126 H176 Dy4 K4 N18 O52 -","- C252 H352 Dy8 K8 N36 O104 -","2","0.5","","Bag, Prasenjit; Chakraborty, Amit; Rouzières, Mathieu; Clérac, Rodolphe; Butcher, Raymond J.; Chandrasekhar, Vadapalli","Oxalato-Bridged Neutral Octanuclear Heterometallic Complexes [Ln4K4(L)4(μ-H2O)4(NO3)2(μ-Ox)] (Ln = Dy(III), Gd(III), Tb(III), Ho(III); LH3= N[CH2CH2N═CH-C6H3-2-OH-3-OMe]3; Ox = (C2O4)2‒): Synthesis, Structure, Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","9","4583","","10.1021/cg500677t","","","0.71073","MoKα","","0.0726","0.0558","","","0.1576","0.1875","","","","","","1.08","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511796","15.866","0.003","29.287","0.006","16.679","0.003","90","","108.797","0.003","90","","7337","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H180 Gd4 K4 N18 O50 -","- C130 H180 Gd4 K4 N18 O50 -","- C260 H360 Gd8 K8 N36 O100 -","2","0.5","","Bag, Prasenjit; Chakraborty, Amit; Rouzières, Mathieu; Clérac, Rodolphe; Butcher, Raymond J.; Chandrasekhar, Vadapalli","Oxalato-Bridged Neutral Octanuclear Heterometallic Complexes [Ln4K4(L)4(μ-H2O)4(NO3)2(μ-Ox)] (Ln = Dy(III), Gd(III), Tb(III), Ho(III); LH3= N[CH2CH2N═CH-C6H3-2-OH-3-OMe]3; Ox = (C2O4)2‒): Synthesis, Structure, Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","9","4583","","10.1021/cg500677t","","","0.71073","MoKα","","0.0811","0.0574","","","0.1545","0.1865","","","","","","1.067","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511797","15.797","0.003","29.291","0.006","16.648","0.004","90","","108.484","0.004","90","","7306","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H176 K4 N18 O52 Tb4 -","- C126 H176 K4 N18 O52 Tb4 -","- C252 H352 K8 N36 O104 Tb8 -","2","0.5","","Bag, Prasenjit; Chakraborty, Amit; Rouzières, Mathieu; Clérac, Rodolphe; Butcher, Raymond J.; Chandrasekhar, Vadapalli","Oxalato-Bridged Neutral Octanuclear Heterometallic Complexes [Ln4K4(L)4(μ-H2O)4(NO3)2(μ-Ox)] (Ln = Dy(III), Gd(III), Tb(III), Ho(III); LH3= N[CH2CH2N═CH-C6H3-2-OH-3-OMe]3; Ox = (C2O4)2–): Synthesis, Structure, Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","9","4583","","10.1021/cg500677t","","","0.71073","MoKα","","0.0839","0.0601","","","0.1569","0.176","","","","","","1.039","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511798","15.874","0.005","29.111","0.005","16.677","0.005","90","0.005","107.326","0.005","90","0.005","7357","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H172 Ho4 K4 N18 O50 -","- C126 H172 Ho4 K4 N18 O50 -","- C252 H344 Ho8 K8 N36 O100 -","2","0.5","","Bag, Prasenjit; Chakraborty, Amit; Rouzières, Mathieu; Clérac, Rodolphe; Butcher, Raymond J.; Chandrasekhar, Vadapalli","Oxalato-Bridged Neutral Octanuclear Heterometallic Complexes [Ln4K4(L)4(μ-H2O)4(NO3)2(μ-Ox)] (Ln = Dy(III), Gd(III), Tb(III), Ho(III); LH3= N[CH2CH2N═CH-C6H3-2-OH-3-OMe]3; Ox = (C2O4)2‒): Synthesis, Structure, Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","9","4583","","10.1021/cg500677t","","","0.71069","MoKα","","0.1027","0.0857","","","0.2238","0.2376","","","","","","1.158","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511799","7.6168","0.0016","9.243","0.002","19.802","0.005","101.716","0.016","98.529","0.016","94.415","0.016","1341.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H36 Cl6 N6 O8 Zn2 -","- C49 H36 Cl6 N6 O8 Zn2 -","- C49 H36 Cl6 N6 O8 Zn2 -","1","0.5","","Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Host–Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes","Crystal Growth & Design","2014","14","9","4461","","10.1021/cg5009889","","","0.71073","MoKα","","0.2499","0.1227","","","0.2916","0.367","","","","","","1.065","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511800","8.3082","0.0002","9.5031","0.0002","15.9217","0.0003","84.604","0.001","89.685","0.001","84.055","0.001","1244.76","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H29 Br4 Cl3 N4 O8 Zn2 -","- C45 H29 Br4 Cl3 N4 O8 Zn2 -","- C45 H29 Br4 Cl3 N4 O8 Zn2 -","1","0.5","","Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Host‒Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes","Crystal Growth & Design","2014","14","9","4461","","10.1021/cg5009889","","","0.71073","MoKα","","0.0658","0.0539","","","0.168","0.1796","","","","","","1.066","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511801","7.7533","0.0004","38.95","0.002","9.3528","0.0005","90","","95.634","0.004","90","","2810.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H66 Br18 N8 O16 Zn4 -","- C93 H66 Br18 N8 O16 Zn4 -","- C93 H66 Br18 N8 O16 Zn4 -","1","0.5","","Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Host–Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes","Crystal Growth & Design","2014","14","9","4461","","10.1021/cg5009889","","","0.71073","MoKα","","0.1782","0.1101","","","0.3195","0.3677","","","","","","1.058","","","","has coordinates,has disorder","301843","2025-08-21","01:58:37",""
"4511802","9.7602","0.0001","17.0271","0.0002","17.4437","0.0002","115.223","0.001","96.034","0.001","94.901","0.001","2580.54","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H30 Cl2 I4 N4 O8 Zn2 -","- C45 H30 Cl2 I4 N4 O8 Zn2 -","- C90 H60 Cl4 I8 N8 O16 Zn4 -","2","1","","Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Host‒Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes","Crystal Growth & Design","2014","14","9","4461","","10.1021/cg5009889","","","0.71073","MoKα","","0.0558","0.0453","","","0.1265","0.1371","","","","","","1.056","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511803","10.725","0.0011","15.204","0.0016","17.3541","0.0018","90","","99.413","0.002","90","","2791.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Ba3 O31 V2 -","- C10 H4 Ba3 O31 V2 -","- C40 H16 Ba12 O124 V8 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method","Crystal Growth & Design","2014","14","9","4749","","10.1021/cg500888u","","","0.71073","MoKα","","0.0484","0.0456","","","0.0945","0.0955","","","","","","1.36","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511804","10.2354","0.0019","15.455","0.003","17.536","0.003","90","","98.718","0.003","90","","2741.9","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Ba3 O28 V2 -","- C10 H12 Ba3 O28 V2 -","- C40 H48 Ba12 O112 V8 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method","Crystal Growth & Design","2014","14","9","4749","","10.1021/cg500888u","","","0.71073","MoKα","","0.0187","0.0185","","","0.0429","0.0429","","","","","","1.272","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511805","10.2382","0.001","14.5463","0.0014","15.2328","0.0014","90","","90.807","0.002","90","","2268.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Ba3 O24.13 V2 -","- C10 H4 Ba3 O24.135 V2 -","- C40 H16 Ba12 O96.54 V8 -","4","1","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method","Crystal Growth & Design","2014","14","9","4749","","10.1021/cg500888u","","","0.71073","MoKα","","0.0415","0.0331","","","0.069","0.0717","","","","","","1.143","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511806","14.8814","0.0015","25.3457","0.0024","33.962","0.0028","90","","90","","90","","12810","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Lamivudine Duplex III","","","- C96 H137.3 N30 O51.66 S10 -","- C96 H137.3 N30 O51.65 S10 -","- C384 H549.2 N120 O206.6 S40 -","4","1","","Vasconcelos, Alline Torquato; da Silva, Cameron Capeletti; Queiroz Júnior, Luiz Henrique Keng; Santana, Mábio João; Ferreira, Vinicius Sousa; Martins, Felipe Terra","Lamivudine as a Nucleoside Template To Engineer DNA-Like Double-Stranded Helices in Crystals","Crystal Growth & Design","2014","14","9","4691","","10.1021/cg500786m","","","0.71073","MoKα","","0.2233","0.0941","","","0.2306","0.3029","","","","","","0.986","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511807","12.18","0.017","12.254","0.017","12.875","0.018","90","","99.925","0.019","90","","1893","5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cl F6 Fe O2 -","- C20 H13 Cl F6 Fe O2 -","- C80 H52 Cl4 F24 Fe4 O8 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0674","0.0535","","","0.1431","0.1586","","","","","","1.075","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511808","12.365","0.013","12.487","0.013","13.01","0.014","90","","90","","90","","2009","4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Cl2 F6 Fe O2 -","- C20 H12 Cl2 F6 Fe O2 -","- C80 H48 Cl8 F24 Fe4 O8 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0899","0.0607","","","0.1322","0.1473","","","","","","1.05","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511809","6.0873","0.0004","8.9751","0.0009","16.8198","0.0015","90","","90","","90","","918.94","0.14","120","1","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 Co N2 O6 -","- C6 H10 Co N2 O6 -","- C24 H40 Co4 N8 O24 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","1.54184","CuKα","","0.0529","0.0474","","","0.1265","0.134","","","","","","0.826","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511810","7.806","0.005","20.715","0.012","12.467","0.007","90","","94.56","0.008","90","","2010","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl2 F6 Fe O2 -","- C20 H12 Cl2 F6 Fe O2 -","- C80 H48 Cl8 F24 Fe4 O8 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0595","0.0465","","","0.1132","0.1224","","","","","","1.05","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511811","7.35","0.004","8.248","0.005","17.977","0.01","87.036","0.016","89.136","0.016","71.771","0.01","1033.7","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 Cl3 F6 Fe O2 -","- C20 H11 Cl3 F6 Fe O2 -","- C40 H22 Cl6 F12 Fe2 O4 -","2","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0727","0.0521","","","0.1137","0.1285","","","","","","1.086","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511812","4.8075","0.0002","9.4727","0.0005","9.7014","0.0004","90","","95.763","0.004","90","","439.57","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H10 N2 O6 Zn -","- C6 H10 N2 O6 Zn -","- C12 H20 N4 O12 Zn2 -","2","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.68239","synchrotron","","0.0676","0.0668","","","0.1682","0.1694","","","","","","1.071","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511813","3.9187","0.0003","11.9054","0.001","16.2554","0.0014","100.98","0.001","91.214","0.001","94.833","0.001","741.31","0.11","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Sonoda, Yoriko; Goto, Midori; Norikane, Yasuo; Azumi, Reiko","Crystal Structures and Fluorescence Spectroscopic Properties of Cyano-Substituted Diphenylhexatrienes","Crystal Growth & Design","2014","14","9","4781","","10.1021/cg5009363","","","0.71073","MoKα","","0.0457","0.0366","","","0.0999","0.1056","","","","","","0.962","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511814","18.46","0.007","4.0402","0.0015","19.941","0.007","90","","91.544","0.004","90","","1486.7","0.9","183","2","183","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Sonoda, Yoriko; Goto, Midori; Norikane, Yasuo; Azumi, Reiko","Crystal Structures and Fluorescence Spectroscopic Properties of Cyano-Substituted Diphenylhexatrienes","Crystal Growth & Design","2014","14","9","4781","","10.1021/cg5009363","","","0.71073","MoKα","","0.0801","0.0506","","","0.1153","0.1282","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511815","5.4806","0.0016","12.043","0.003","12.301","0.004","71.769","0.003","79.633","0.003","78.979","0.003","750.6","0.4","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Sonoda, Yoriko; Goto, Midori; Norikane, Yasuo; Azumi, Reiko","Crystal Structures and Fluorescence Spectroscopic Properties of Cyano-Substituted Diphenylhexatrienes","Crystal Growth & Design","2014","14","9","4781","","10.1021/cg5009363","","","0.71073","MoKα","","0.0362","0.0331","","","0.0935","0.0965","","","","","","0.95","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511816","6.6287","0.0003","24.2017","0.0012","8.4264","0.0005","90","","92.11","0.002","90","","1350.9","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Co N4 O10 -","- C30 H22 Co N4 O10 -","- C60 H44 Co2 N8 O20 -","2","0.5","","Wu, Jing-Yun; Hsiao, Cheng-Chu; Chiang, Ming-Hsi","Concomitant Crystallization of Genuine Supramolecular Isomeric Rhombus Grid and Ribbon","Crystal Growth & Design","2014","14","9","4321","","10.1021/cg500380v","","","0.71073","MoKα","","0.064","0.0491","","","0.0907","0.0948","","","","","","1.171","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511817","10.519","0.003","12.038","0.003","13.1","0.003","95.687","0.005","111.148","0.005","112.522","0.006","1373.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Co N4 O10 -","- C30 H22 Co N4 O10 -","- C60 H44 Co2 N8 O20 -","2","1","","Wu, Jing-Yun; Hsiao, Cheng-Chu; Chiang, Ming-Hsi","Concomitant Crystallization of Genuine Supramolecular Isomeric Rhombus Grid and Ribbon","Crystal Growth & Design","2014","14","9","4321","","10.1021/cg500380v","","","0.71073","MoKα","","0.0618","0.0488","","","0.1253","0.1314","","","","","","1.082","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511818","3.8644","0.0001","3.8644","0.0001","13.1678","0.0007","90","","90","","90","","196.642","0.013","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- F Fe O3 Sr2 -","- F Fe O3 Sr2 -","- F2 Fe2 O6 Sr4 -","2","0.125","","Tsujimoto, Yoshihiro; Matsushita, Yoshitaka; Hayashi, Naoaki; Yamaura, Kazunari; Uchikoshi, Tetsuo","Anion Order-to-Disorder Transition in Layered Iron Oxyfluoride Sr2FeO3F Single Crystals","Crystal Growth & Design","2014","14","9","4278","","10.1021/cg500484e","","","0.71073","MoKα","","0.0348","0.0324","","","0.0829","0.0845","","","","","","1.269","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511819","47.0072","0.0017","5.4802","0.0002","9.5037","0.0004","90","","101.488","0.002","90","","2399.19","0.16","198","2","198","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C96 H136 N8 O24 -","8","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","1.54178","CuKα","","0.0369","0.0329","","","0.0772","0.0793","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511820","47.646","0.005","5.5179","0.0005","9.5052","0.0009","90","","98.313","0.006","90","","2472.7","0.4","250","2","250","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C96 H136 N8 O24 -","8","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","1.54178","CuKα","","0.0487","0.042","","","0.1121","0.1177","","","","","","1.072","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511821","4.571","0.004","10.174","0.008","19.653","0.016","90","","90","","90","","914","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 N O5 -","- C7 H17 N O5 -","- C28 H68 N4 O20 -","4","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","0.71073","MoKα","","0.0815","0.0549","","","0.1176","0.1261","","","","","","1.096","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511822","4.819","0.006","5.131","0.006","9.627","0.011","104.662","0.013","93.985","0.014","92.586","0.014","229.2","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C7 H17 N O5 -","- C7 H17 N O5 -","- C7 H17 N O5 -","1","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","0.71073","MoKα","","0.0365","0.0345","","","0.0922","0.0984","","","","","","1.108","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511823","10.6915","0.0006","10.5459","0.0005","13.2126","0.0006","90","","112.41","0.008","90","","1377.23","0.14","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O6 S2 -","- C11 H11 N3 O6 S2 -","- C44 H44 N12 O24 S8 -","4","1","","Koike, Ryuta; Higashi, Kenjirou; Liu, Nan; Limwikrant, Waree; Yamamoto, Keiji; Moribe, Kunikazu","Structural Determination of a Novel Polymorph of Sulfathiazole–Oxalic Acid Complex in Powder Form by Solid-State NMR Spectroscopy on the Basis of Crystallographic Structure of Another Polymorph","Crystal Growth & Design","2014","14","9","4510","","10.1021/cg5005903","","","0.71075","MoKα","","","0.0333","","","","0.0901","","","","","","1.255","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511824","4.9209","0.0003","8.6115","0.0005","9.4689","0.0006","72.466","0.003","75.129","0.003","89.747","0.003","368.64","0.04","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","Cocrystal 5FC succinic acid","","","- C6 H7 F N3 O3 -","- C6 H7 F N3 O3 -","- C12 H14 F2 N6 O6 -","2","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.0436","0.0381","","","","0.1273","","","","","","1.103","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511825","5.2742","0.0005","6.665","0.0007","12.8441","0.0013","86.411","0.006","80.757","0.006","71.97","0.006","423.72","0.08","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","Cocrystal 5FC adipic acid","","","- C7 H9 F N3 O3 -","- C7 H9 F N3 O3 -","- C14 H18 F2 N6 O6 -","2","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.059","0.0506","","","","0.1436","","","","","","1.112","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511826","3.6265","0.0003","9.5274","0.0008","13.7902","0.0012","107.812","0.005","92.036","0.004","96.844","0.004","449.09","0.07","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","Cocrystal 5FC tereftalic acid","","","- C8 H7 F N3 O3 -","- C8 H7 F N3 O3 -","- C16 H14 F2 N6 O6 -","2","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.0607","0.0449","","","","0.1217","","","","","","1.074","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511827","20.898","0.0004","14.859","0.0009","7.244","0.0011","90","","107.178","0.003","90","","2149.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 F N3 O6 -","- C8 H10 F N3 O6 -","- C64 H80 F8 N24 O48 -","8","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.162","0.0719","","","","0.2266","","","","","","1.012","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511828","9.0565","0.0002","5.4318","0.0002","22.8887","0.0008","90","","92.87","0.001","90","","1124.55","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Co-crystal of 5FC with benzoic acid","","","- C11 H10 F N3 O3 -","- C11 H10 F N3 O3 -","- C44 H40 F4 N12 O12 -","4","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.081","0.0481","","","","0.1418","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511829","15.0176","0.0003","3.5604","0.0001","27.3113","0.0004","90","","138.282","0.001","90","","971.78","0.04","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F2 N5 O3 -","- C8 H7 F2 N5 O3 -","- C32 H28 F8 N20 O12 -","4","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","1.54178","CuKα","","0.0359","0.0312","","","","0.0879","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511830","10.6569","0.0002","11.2177","0.0003","23.0926","0.0005","79.945","0.001","80.684","0.001","87.827","0.001","2682.24","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C68 H78 O4 -","- C68 H78 O4 -","- C136 H156 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.1073","0.0551","","","0.1127","0.1354","","","","","","1.003","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511831","26.9959","0.0012","24.2344","0.0011","18.7233","0.0008","90","","120.515","0.001","90","","10552.8","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H69 N O3 -","- C63 H69 N O3 -","- C504 H552 N8 O24 -","8","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.078","0.0487","","","0.1288","0.16","","","","","","1.059","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511832","10.2087","0.0002","11.864","0.0002","22.639","0.0004","90","","98.31","0.001","90","","2713.16","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 Cl6 O2 -","- C62 H64 Cl6 O2 -","- C124 H128 Cl12 O4 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0497","0.0361","","","0.0862","0.0939","","","","","","1.03","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511833","10.8003","0.0006","11.0836","0.0006","24.7588","0.0013","77.994","0.003","89.734","0.003","63.611","0.002","2583.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H70 O4 -","- C64 H70 O4 -","- C128 H140 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0931","0.0546","","","0.1521","0.1726","","","","","","1","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511834","9.9877","0.0002","15.4374","0.0004","12.8383","0.0003","90","","96.61","0.001","90","","1966.3","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 O6 -","- C52 H46 O6 -","- C104 H92 O12 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0577","0.0389","","","0.0893","0.0992","","","","","","1.013","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511835","11.6011","0.0004","13.1091","0.0005","15.2093","0.0005","88.122","0.002","87.395","0.002","84.615","0.002","2299.5","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H62 O2 -","- C60 H62 O2 -","- C120 H124 O4 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0862","0.0497","","","0.1294","0.1653","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511836","13.9048","0.0003","13.6994","0.0003","10.1484","0.0002","90","","93.781","0.001","90","","1928.93","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 N2 O4 -","- C50 H44 N2 O4 -","- C100 H88 N4 O8 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0491","0.0383","","","0.0982","0.106","","","","","","0.997","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511837","11.3706","0.0002","13.0603","0.0003","13.1504","0.0003","97.421","0.001","107.212","0.001","109.961","0.001","1694.76","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H36 O3 -","- C47 H36 O3 -","- C94 H72 O6 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0694","0.05","","","0.1232","0.1361","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511838","10.6432","0.0003","11.3772","0.0003","22.7292","0.0007","80.527","0.001","80.408","0.001","87.917","0.002","2676.68","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H74 O4 -","- C66 H74 O4 -","- C132 H148 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0708","0.0588","","","0.152","0.163","","","","","","1.015","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511839","10.9784","0.0005","14.2909","0.0006","19.6702","0.0009","98.144","0.002","95.506","0.002","107.769","0.002","2877.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H82 O7 -","- C69.468 H80.936 O6.734 -","- C138.936 H161.872 O13.468 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.1147","0.0544","","","0.1273","0.1681","","","","","","0.993","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511840","28.707","0.007","28.707","0.007","24.682","0.011","90","","90","","120","","17615","10","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H10 O9 Zn -","- C24 H10 O9 Zn -","- C432 H180 O162 Zn18 -","18","1","","He, Hongming; Sun, Fuxing; Jia, Jiangtao; Bian, Zheng; Zhao, Nian; Qiu, Xuepeng; Gao, Lianxun; Zhu, Guangshan","Fluorescent Dodecapus in 3D Framework","Crystal Growth & Design","2014","14","9","4258","","10.1021/cg501012e","","","0.71073","MoKα","","0.112","0.0555","","","0.1313","0.1482","","","","","","0.875","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511841","8.5236","0.0014","10.0435","0.0017","13.64","0.003","90","","106.075","0.005","90","","1122","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 F6 N2 P -","- C7 H13 F6 N2 P -","- C28 H52 F24 N8 P4 -","4","1","","Maximo, Guilherme J.; Santos, Ricardo J. B. N.; Brandão, Paula; Esperança, José M. S. S.; Costa, Mariana C.; Meirelles, Antonio J. A.; Freire, Mara G.; Coutinho, João A. P.","Generating Ionic Liquids from Ionic Solids: An Investigation of the Melting Behavior of Binary Mixtures of Ionic Liquids","Crystal Growth & Design","2014","14","9","4270","","10.1021/cg500655s","","","0.71073","MoKα","","0.0564","0.0467","","","0.1265","0.1352","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511842","14.4143","0.0007","14.2106","0.0008","13.4918","0.0006","90","","109.466","0.002","90","","2605.6","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 F6 N P -","- C9 H20 F6 N P -","- C72 H160 F48 N8 P8 -","8","2","","Maximo, Guilherme J.; Santos, Ricardo J. B. N.; Brandão, Paula; Esperança, José M. S. S.; Costa, Mariana C.; Meirelles, Antonio J. A.; Freire, Mara G.; Coutinho, João A. P.","Generating Ionic Liquids from Ionic Solids: An Investigation of the Melting Behavior of Binary Mixtures of Ionic Liquids","Crystal Growth & Design","2014","14","9","4270","","10.1021/cg500655s","","","0.71073","MoKα","","0.1133","0.057","","","0.138","0.1755","","","","","","0.983","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511843","8.8517","0.0005","9.1524","0.0005","9.2668","0.0005","63.953","0.002","64.555","0.002","85.076","0.002","604.15","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 F6 N P -","- C9 H14 F6 N P -","- C18 H28 F12 N2 P2 -","2","1","","Maximo, Guilherme J.; Santos, Ricardo J. B. N.; Brandão, Paula; Esperança, José M. S. S.; Costa, Mariana C.; Meirelles, Antonio J. A.; Freire, Mara G.; Coutinho, João A. P.","Generating Ionic Liquids from Ionic Solids: An Investigation of the Melting Behavior of Binary Mixtures of Ionic Liquids","Crystal Growth & Design","2014","14","9","4270","","10.1021/cg500655s","","","0.71073","MoKα","","0.0522","0.0443","","","0.1226","0.1312","","","","","","1.027","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511844","7.311","0.001","12.674","0.001","13.968","0.0001","92.78","0.01","91.73","0.01","91.83","0.01","1291.4","0.2","298","2","296","2","","","","","","","","5","P -1","-P 1","2","","Trithiocyanuric acid+4,4'-bipyridine+DMSO","","- C18 H20 N8 O S7 -","- C18 H20 N8 O S7 -","- C36 H40 N16 O2 S14 -","2","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0536","0.038","","","0.1236","0.1422","","","","","","0.991","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511845","8.879","0.001","8.407","0.001","20.279","0.001","90","","91.51","0","90","","1513.2","0.3","298","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trithiocyanuric acid+ 4,4'-bipyridine","","- C13 H11 N5 S3 -","- C13 H11 N5 S3 -","- C52 H44 N20 S12 -","4","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0666","0.0421","","","0.1059","0.1193","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511846","4.369","0.001","29.078","0.006","9.186","0.002","90","","102.27","0.01","90","","1140.3","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Trithiocyanuric acid+1,7-phenonthroline","","- C18 H14 N8 S6 -","- C18 H14 N8 S6 -","- C36 H28 N16 S12 -","2","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.7107","MoKα","","0.0406","0.0395","","","0.0988","0.0997","","","","","","1.162","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511847","15.61","0.001","13.199","0.001","7.945","0.001","90","","102.78","0.01","90","","1596.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trithiocyanuric acid+1,7-phenanthroline","","- C15 H11 N5 S3 -","- C15 H11 N5 S3 -","- C60 H44 N20 S12 -","4","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0481","0.0354","","","0.0858","0.0939","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511848","7.084","0.001","10.356","0.001","11.362","0.001","66.83","0.01","85.04","0.01","78.22","0.01","750.15","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Trithiocyanuric acid+1,2-bis(4-pyridyl)ethane","","- C18 H18 N8 S6 -","- C18 H18 N8 S6 -","- C18 H18 N8 S6 -","1","0.5","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0925","0.0812","","","0.2781","0.2919","","","","","","2.208","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511849","17.584","0.003","6.682","0.001","14.452","0.002","90","","99.18","0.01","90","","1676.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trithiocyanuric acid+4,4'-bpyea","","- C15 H15 N5 S3 -","- C15 H15 N5 S3 -","- C60 H60 N20 S12 -","4","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0906","0.0716","","","0.1298","0.1361","","","","","","1.264","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511850","9.1127","0.0003","13.0832","0.0005","18.4154","0.0007","90","","97.724","0.003","90","","2175.62","0.14","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N2 Ni O10 -","- C22 H22 N2 Ni O10 -","- C88 H88 N8 Ni4 O40 -","4","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.0618","0.0514","","","0.1572","0.1688","","","","","","1.032","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511851","9.0212","0.0005","13.2138","0.0009","30.273","0.002","90","","91.213","0.006","90","","3607.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H34 Co N4 O12 -","- C40 H30 Co N4 O12 -","- C160 H120 Co4 N16 O48 -","4","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1105","0.0936","","","0.1905","0.1993","","","","","","1.087","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511852","8.8003","0.0005","14.7244","0.001","16.5169","0.0014","98.647","0.006","93.17","0.006","98.561","0.005","2085.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Cu N4 O9 -","- C40 H26 Cu N4 O9 -","- C80 H52 Cu2 N8 O18 -","2","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1458","0.0877","","","0.2156","0.2399","","","","","","1.168","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511853","5.5869","0.0004","12.0319","0.0013","14.528","0.0015","107.552","0.009","100.654","0.007","97.99","0.007","895.09","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Co N4 O12 -","- C42 H36 Co N4 O12 -","- C42 H36 Co N4 O12 -","1","0.5","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.067","0.0561","","","0.1147","0.1209","","","","","","1.068","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511854","15.1823","0.0011","7.801","0.0006","31.418","0.002","90","","90","","90","","3721.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cu N2 O7 -","- C21 H16 Cu N2 O7 -","- C168 H128 Cu8 N16 O56 -","8","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.089","0.0406","","","0.0946","0.1389","","","","","","1.001","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511855","17.018","0.0005","17.8705","0.0007","20.812","0.0007","65.116","0.003","83.339","0.003","69.993","0.003","5392.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H101 Cu3 N12 O27 -","- C126 H95 Cu3 N12 O27 -","- C252 H190 Cu6 N24 O54 -","2","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1032","0.064","","","0.1565","0.1847","","","","","","1.072","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511856","5.5839","0.0012","12.097","0.003","14.595","0.003","107.883","0.011","100.455","0.011","97.851","0.012","903","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Mn N4 O12 -","- C42 H36 Mn N4 O12 -","- C42 H36 Mn N4 O12 -","1","0.5","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1531","0.0778","","","0.1299","0.1535","","","","","","0.987","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511857","6.955","0.004","9.014","0.005","11.195","0.006","90","","106.423","0.009","90","","673.2","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-fluoro benzoyl chloride","4-Fluoro benzoyl chloride","","- C7 H4 Cl F O -","- C7 H4 Cl F O -","- C28 H16 Cl4 F4 O4 -","4","1","","Dikundwar, Amol G.; Guru Row, Tayur N.","Tracing a Crystallization Pathway of an RT Liquid, 4-Fluorobenzoyl Chloride: Metastable Polytypic Form as an Intermediate Phase","Crystal Growth & Design","2014","14","9","4230","","10.1021/cg500460n","","","0.71073","MoKα","","0.1026","0.0883","","","0.2694","0.2854","","","","","","1.168","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511859","4.8111","0.0006","19.933","0.003","5.483","0.0007","90","","103.41","0.002","90","","511.48","0.12","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0274","0.0257","","","0.0567","0.0572","","","","","","1.048","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511860","4.8207","0.0007","19.966","0.003","5.5008","0.0007","90","","103.363","0.002","90","","515.12","0.13","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0259","0.0239","","","0.054","0.0548","","","","","","1.057","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511861","4.814","0.0012","19.924","0.005","5.5056","0.0014","90","","103.356","0.004","90","","513.8","0.2","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.039","0.0362","","","0.09","0.0916","","","","","","1.063","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511862","4.8259","0.0007","19.954","0.003","5.5272","0.0008","90","","103.186","0.002","90","","518.21","0.13","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0327","0.0286","","","0.0608","0.0623","","","","","","1.05","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511863","4.8387","0.0009","19.991","0.004","5.5464","0.001","90","","103.104","0.003","90","","522.54","0.17","273","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0374","0.0315","","","0.0666","0.069","","","","","","1.054","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511864","4.833","0.0016","19.978","0.007","5.5547","0.0019","90","","103.038","0.005","90","","522.5","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.037","0.0317","","","0.0703","0.0727","","","","","","1.067","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511865","4.8367","0.0009","19.97","0.004","5.5587","0.001","90","","102.953","0.003","90","","523.25","0.17","323","","323","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0446","0.0374","","","0.0805","0.084","","","","","","1.064","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511866","4.8314","0.0008","19.955","0.003","5.547","0.001","90","","103.005","0.003","90","","521.07","0.15","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0394","0.0333","","","0.0703","0.0728","","","","","","1.046","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511867","4.8298","0.0007","19.955","0.003","5.5441","0.0008","90","","103.05","0.002","90","","520.53","0.13","273","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0368","0.0311","","","0.0697","0.0722","","","","","","1.056","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511868","4.8255","0.0006","19.958","0.003","5.5336","0.0007","90","","103.141","0.002","90","","518.97","0.12","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0301","0.0266","","","0.0584","0.06","","","","","","1.052","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511869","4.8117","0.0007","19.917","0.003","5.5101","0.0008","90","","103.221","0.002","90","","514.06","0.13","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0262","0.0239","","","0.0501","0.0509","","","","","","1.056","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511870","4.8078","0.0006","19.908","0.003","5.4958","0.0007","90","","103.298","0.002","90","","511.92","0.12","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0242","0.0224","","","0.0473","0.0479","","","","","","1.058","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511871","4.809","0.0006","19.923","0.003","5.4926","0.0007","90","","103.349","0.002","90","","512.03","0.12","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0236","0.0219","","","0.0496","0.0501","","","","","","1.043","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511872","5.5048","0.0004","6.445","0.0005","19.4446","0.0014","90","","90.435","0.001","90","","689.84","0.09","300","","300","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.073","0.0539","","","0.1463","0.1598","","","","","","1.028","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511873","5.4415","0.0003","6.3079","0.0003","19.222","0.0009","90","","91.243","0.001","90","","659.63","0.06","90","","90","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0447","0.041","","","0.1127","0.1166","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511874","16.3369","0.0012","7.4739","0.0006","22.5773","0.0017","90","","90","","90","","2756.7","0.4","300","","300","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C17 H18 -","- C17 H18 -","- C136 H144 -","8","1","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0983","0.0661","","","0.1446","0.168","","","","","","1.063","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511875","16.1474","0.0008","7.2794","0.0004","22.4687","0.0011","90","","90","","90","","2641","0.2","90","","90","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C17 H18 -","- C17 H18 -","- C136 H144 -","8","1","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0488","0.0444","","","0.1179","0.1225","","","","","","1.069","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511876","10.5992","0.0006","6.5465","0.0004","10.7201","0.0006","90","","97.286","0.001","90","","737.84","0.07","300","","300","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 -","- C18 H22 -","- C36 H44 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0794","0.0681","","","0.2382","0.2559","","","","","","1.101","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511877","10.4841","0.0002","6.5711","0.0001","10.3523","0.0002","90","","97.34","0.001","90","","707.35","0.02","90","","90","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 -","- C18 H22 -","- C36 H44 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.044","0.0405","","","0.1138","0.1176","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511878","5.8389","0.0004","17.2035","0.0012","6.6533","0.0005","90","","112.747","0.001","90","","616.34","0.08","300","","300","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0563","0.0463","","","0.1319","0.1422","","","","","","1.063","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511879","5.7726","0.0003","17.0351","0.0009","6.6086","0.0004","90","","112.553","0.001","90","","600.17","0.06","200","","200","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0447","0.0392","","","0.1088","0.1141","","","","","","1.073","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511880","5.7047","0.0002","16.8879","0.0007","6.5872","0.0003","90","","112.365","0.001","90","","586.88","0.04","90","","90","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0418","0.0393","","","0.1063","0.1086","","","","","","1.051","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511881","5.721","0.0003","17.3014","0.001","6.4223","0.0004","90","","111.047","0.001","90","","593.28","0.06","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 -","- C14 H10 Cl2 -","- C28 H20 Cl4 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.032","0.028","","","0.0703","0.0733","","","","","","1.051","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511882","5.6669","0.0003","17.2268","0.0008","6.3486","0.0003","90","","110.947","0.001","90","","578.81","0.05","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 -","- C14 H10 Cl2 -","- C28 H20 Cl4 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0237","0.0224","","","0.0588","0.0596","","","","","","1.08","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511883","5.616","0.0002","17.1845","0.0007","6.2868","0.0003","90","","110.843","0.001","90","","567.02","0.04","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 -","- C14 H10 Cl2 -","- C28 H20 Cl4 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0215","0.0208","","","0.0532","0.0537","","","","","","1.107","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4511884","7.3135","0.0002","7.6312","0.0002","20.5697","0.0005","90","","99.462","0.001","90","","1132.39","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O9 P2 Pb -","- C4 H11 N O9 P2 Pb -","- C16 H44 N4 O36 P8 Pb4 -","4","1","","Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.","Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate","Crystal Growth & Design","2014","14","10","5234","","10.1021/cg501029b","","","0.71073","MoKα","","0.0313","0.0222","","","0.0414","0.0435","","","","","","1.057","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511885","7.12","0.0004","7.2986","0.0005","10.5043","0.0006","78.615","0.005","80.272","0.005","88.585","0.005","527.41","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H11 Ca N O9 P2 -","- C4 H11 Ca N O9 P2 -","- C8 H22 Ca2 N2 O18 P4 -","2","1","","Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.","Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate","Crystal Growth & Design","2014","14","10","5234","","10.1021/cg501029b","","","0.71073","MoKα","","0.06","0.0417","","","0.0963","0.1056","","","","","","1.057","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511886","9.3466","0.0002","12.7982","0.0003","13.2133","0.0003","67.255","0.001","74.391","0.001","86.595","0.001","1402.13","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Ba3.5 N2 O22 P4 -","- C8 H23 Ba3.5 N2 O22 P4 -","- C16 H46 Ba7 N4 O44 P8 -","2","1","","Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.","Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate","Crystal Growth & Design","2014","14","10","5234","","10.1021/cg501029b","","","0.71073","MoKα","","0.0329","0.0242","","","0.0549","0.0588","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511887","7.3371","0.0002","7.518","0.0002","20.5697","0.0005","90","","100.074","0.001","90","","1117.14","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O9 P2 Sr -","- C4 H11 N O9 P2 Sr -","- C16 H44 N4 O36 P8 Sr4 -","4","1","","Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.","Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate","Crystal Growth & Design","2014","14","10","5234","","10.1021/cg501029b","","","0.71073","MoKα","","0.0406","0.027","","","0.0525","0.0559","","","","","","1.016","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511888","18.806","0.003","21.967","0.003","24.552","0.003","93.628","0.002","111.811","0.002","113.559","0.002","8360","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- Ce2 H57 K10 Na5 O152 Se4 W35 -","- Ce2 K9 Na4 O134 Se4 W35 -","- Ce4 K18 Na8 O268 Se8 W70 -","2","1","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.0907","0.0698","","","0.176","0.1856","","","","","","0.972","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511889","19.4192","0.0013","19.9929","0.0013","26.9568","0.0017","70.225","0.001","70.385","0.001","63.681","0.001","8611.2","1","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H93 Ce2 K3 N4 Na10 O155 Se4 W35 -","- C10 H35 Ce2 K2.1 N4 Na3.4 O141.5 Se4 W35 -","- C20 H70 Ce4 K4.2 N8 Na6.8 O283 Se8 W70 -","2","1","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.0975","0.0518","","","0.111","0.1234","","","","","","0.934","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511890","28.706","0.005","13.68","0.0018","22.75","0.004","90","","114.522","0.004","90","","8128","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H62 N4 Na4 O77 Se2 W18 -","- C8 H32 N4 Na2.01 O68 Se2 W18 -","- C32 H128 N16 Na8.04 O272 Se8 W72 -","4","0.5","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.0749","0.0557","","","0.1455","0.1538","","","","","","1.107","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511891","14.1071","0.0012","15.4752","0.0013","21.2067","0.0017","107.471","0.001","97.631","0.001","97.319","0.001","4307.9","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H104 K N10 Na5 O136 Se4 W36 -","- C20 H80 K0.5 N10 Na O131 Se4 W36 -","- C20 H80 K0.5 N10 Na O131 Se4 W36 -","1","0.5","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.072","0.0422","","","0.0942","0.102","","","","","","0.944","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511892","14.1124","0.0014","15.5421","0.0016","20.97","0.002","105.483","0.002","95.186","0.002","94.1","0.002","4392.5","0.8","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H120 K N10 Na O160 Se6 W38 Zr4 -","- C20 H80 K N10 Na O158 Se6 W38 Zr4 -","- C20 H80 K N10 Na O158 Se6 W38 Zr4 -","1","0.5","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.1094","0.0571","","","0.1189","0.1355","","","","","","0.978","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511895","7.683","0.002","8.191","0.002","23.307","0.006","98.202","0.005","92.589","0.005","103.123","0.004","1409.2","0.6","170","2","170","2","","","","","","","","4","P -1","-P 1","2","theopylline 3-hydroxybenzoic acid complex","","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","2","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0674","0.0543","","","0.1303","0.1382","","","","","","1.091","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511896","15.327","0.007","6.792","0.003","14.041","0.006","90","","106.297","0.004","90","","1403","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theopylline 2,3-dihydroxybenzoic acid complex","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.1305","0.0567","","","0.122","0.1628","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511897","12.565","0.004","7.894","0.003","14.528","0.005","90","","98.84","0.006","90","","1423.9","0.9","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theopylline 2,4-dihydroxybenzoic acid complex","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0451","0.0429","","","0.1207","0.1234","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511898","14.6593","0.0019","6.5583","0.0008","15.727","0.002","90","","94.043","0.001","90","","1508.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theopylline 2,6-dihydroxybenzoic acid salt monohydrate","","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0809","0.0388","","","0.1129","0.1635","","","","","","0.997","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511899","8.0694","0.0012","8.5782","0.0013","11.5578","0.0017","103.147","0.002","104.97","0.002","105.358","0.002","706.7","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","theopylline 3,4-dihydroxybenzoic acid complex","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0462","0.0351","","","0.1028","0.1202","","","","","","0.81","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511900","7.2253","0.0017","7.9998","0.0019","12.65","0.003","81.24","0.004","85.071","0.004","82.509","0.004","714.9","0.3","170","2","170","2","","","","","","","","4","P -1","-P 1","2","theopylline 3,5-dihydroxybenzoic acid complex","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0717","0.0585","","","0.1541","0.1674","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511902","51.343","0.009","4.8679","0.0008","7.6195","0.0013","90","","92.83","0.003","90","","1902","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 N O3 -","- C18 H35 N O3 -","- C72 H140 N4 O12 -","4","1","","Reddy, S. Thirupathi; Krovi, Krishna Prasad; Swamy, Musti J.","Structure and Thermotropic Phase Behavior of a Homologous Series ofN-Acylglycines: Neuroactive and Antinociceptive Constituents of Biomembranes","Crystal Growth & Design","2014","14","10","4944","","10.1021/cg500481u","","","0.71073","MoKα","","0.1295","0.0874","","","0.2142","0.244","","","","","","0.97","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511903","92.388","0.016","4.86","0.0008","7.6485","0.0013","90","","91.702","0.004","90","","3432.7","1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H31 N O3 -","- C16 H31 N O3 -","- C128 H248 N8 O24 -","8","1","","Reddy, S. Thirupathi; Krovi, Krishna Prasad; Swamy, Musti J.","Structure and Thermotropic Phase Behavior of a Homologous Series ofN-Acylglycines: Neuroactive and Antinociceptive Constituents of Biomembranes","Crystal Growth & Design","2014","14","10","4944","","10.1021/cg500481u","","","0.71073","MoKα","","0.0987","0.0805","","","0.2072","0.218","","","","","","1.115","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511904","10.9398","0.0017","11.0705","0.0017","11.7353","0.0018","106.846","0.007","100.623","0.007","102.977","0.007","1277.2","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 Cl F N O9 -","- C23 H29 Cl F N O9 -","- C46 H58 Cl2 F2 N2 O18 -","2","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.1165","0.098","","","0.2288","0.238","","","","","","1.153","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511905","6.002","0.003","11.525","0.007","35.29","0.02","90","","90","","90","","2441","2","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Cl F N O4 -","- C28 H29 Cl F N O4 -","- C112 H116 Cl4 F4 N4 O16 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0548","0.0467","","","0.1271","0.1534","","","","","","1.11","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511906","36.09","0.02","8.178","0.004","11.344","0.006","90","","107.542","0.011","90","","3192","3","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H35 Cl F N O8 -","- C35 H35 Cl F N O8 -","- C140 H140 Cl4 F4 N4 O32 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0518","0.0446","","","0.1187","0.1422","","","","","","1.135","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511907","17.732","0.007","13.844","0.005","11.508","0.005","90","","116.485","0.003","90","","2528.5","1.7","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H29 Cl F N O5 -","- C28 H29 Cl F N O5 -","- C112 H116 Cl4 F4 N4 O20 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0695","0.064","","","0.1778","0.1898","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511908","8.1733","0.0009","14.5646","0.0016","15.5899","0.0017","70.835","0.005","80.524","0.006","74.251","0.005","1681.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H35 Cl F N O9 -","- C38 H35 Cl F N O9 -","- C76 H70 Cl2 F2 N2 O18 -","2","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.1146","0.0697","","","0.1569","0.1797","","","","","","1.034","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511909","18.369","0.002","13.121","0.0013","12.0966","0.0017","90","","119.324","0.004","90","","2541.9","0.5","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H29 Cl F N O6 -","- C28 H29 Cl F N O6 -","- C112 H116 Cl4 F4 N4 O24 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0792","0.0569","","","0.1349","0.1687","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511910","8.2696","0.0011","14.4385","0.0016","21.086","0.003","90","","101.095","0.004","90","","2470.6","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Cl F N O6 -","- C28 H29 Cl F N O6 -","- C112 H116 Cl4 F4 N4 O24 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0654","0.0601","","","0.171","0.1788","","","","","","1.111","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511911","9.5485","0.0012","10.3924","0.0013","13.2217","0.0016","107.554","0.008","98.463","0.007","104.392","0.007","1176.1","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 Cl F N O7 S -","- C22 H29 Cl F N O7 S -","- C44 H58 Cl2 F2 N2 O14 S2 -","2","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0629","0.0528","","","0.1519","0.163","","","","","","1.074","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511912","9.128","0.002","16.485","0.004","19.142","0.004","65.453","0.008","81.007","0.007","89.606","0.006","2582.4","1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 Cl F N O5 S -","- C27 H29 Cl F N O5 S -","- C108 H116 Cl4 F4 N4 O20 S4 -","4","2","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.2474","0.0957","","","0.1696","0.2259","","","","","","0.95","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511913","20.102","0.003","8.0056","0.0012","17.761","0.003","90","","105.577","0.007","90","","2753.3","0.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl F N O6 S -","- C28 H33 Cl F N O6 S -","- C112 H132 Cl4 F4 N4 O24 S4 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.1267","0.0753","","","0.1862","0.2111","","","","","","1.075","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511914","9.1622","0.0007","19.9765","0.0016","10.0933","0.0009","90","","93.357","0.002","90","","1844.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 N4 O10 Sn2 -","- C30 H52 N4 O10 Sn2 -","- C60 H104 N8 O20 Sn4 -","2","0.5","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71073","MoKα","","0.0525","0.0486","","","0.1189","0.1225","","","","","","1.061","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511915","12.2838","0.0017","19.749","0.003","18.497","0.003","90","","97.699","0.002","90","","4446.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 N2 O4 Sn -","- C19 H34 N2 O4 Sn -","- C152 H272 N16 O32 Sn8 -","8","2","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71073","MoKα","","0.1084","0.083","","","0.1706","0.207","","","","","","1.145","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511916","7.977","0.005","10.434","0.005","18.12","0.005","102.919","0.005","96.199","0.005","93.676","0.005","1455.3","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 N4 O11 Te -","- C28 H30 N4 O11 Te -","- C56 H60 N8 O22 Te2 -","2","1","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C–H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71069","MoKα","","0.0896","0.063","","","0.1454","0.1562","","","","","","1.078","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511917","12.164","0.005","12.682","0.005","16.184","0.005","103.087","0.005","93.109","0.005","93.964","0.005","2419.7","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H54 N4 O16 Te2 -","- C45 H54 N4 O16 Te2 -","- C90 H108 N8 O32 Te4 -","2","1","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C–H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71069","MoKα","","0.0958","0.0611","","","0.1378","0.1818","","","","","","1.081","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511918","9.583","0.005","9.934","0.005","10.942","0.005","78.546","0.005","84.329","0.005","85.907","0.005","1014.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 Cu2 N8 O24 -","- C28 H44 Cu2 N8 O24 -","- C28 H44 Cu2 N8 O24 -","1","0.5","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C–H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71069","MoKα","","0.0358","0.0349","","","0.0968","0.0981","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511919","7.8208","0.0012","29.207","0.005","9.9899","0.0015","90","","100.114","0.002","90","","2246.5","0.6","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RsC1, bpy, acetonitrile","C-methylresorcinol[4]arene, 4,4'-bipyridine, acetonitrile","","- C54 H51 N5 O8 -","- C54 H51 N5 O8 -","- C108 H102 N10 O16 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0951","0.0495","","","0.1058","0.1228","","","","","","1.021","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511920","10.051","0.002","25.409","0.005","11.661","0.002","90","","91.889","0.002","90","","2976.4","1","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RsC1, bpe, acetonitrile","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, acetonitrile","","- C64 H64 N8 O8 -","- C64 H52 N8 O8 -","- C128 H104 N16 O16 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.117","0.0846","","","0.2357","0.2535","","","","","","1.138","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511921","14.917","0.003","43.998","0.008","18.223","0.003","90","","102.821","0.002","90","","11662","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RsC1, bpe, ethanol","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, ethanol","","- C128 H120 N8 O24 -","- C128 H126 N8 O24 -","- C512 H504 N32 O96 -","4","1","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.1267","0.0706","","","0.179","0.2156","","","","","","1.022","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511922","10.129","0.0018","25.369","0.004","11.478","0.002","90","","91.57","0.002","90","","2948.3","0.9","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RsC1, bpa, acetonitrile","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, acetonitrile","","- C66 H63 N9 O8 -","- C66 H58 N9 O8 -","- C132 H116 N18 O16 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.1028","0.0644","","","0.1723","0.2004","","","","","","1.032","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511923","14.663","0.0005","44.452","0.0015","18.3387","0.0007","90","","102.492","0.002","90","","11670.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RsC1, bpa, ethanol","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, ethanol","","- C128 H96 N8 O24 -","- C128 H96 N8 O24 -","- C512 H384 N32 O96 -","4","1","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","1.54178","CuKα","","0.0709","0.0618","","","0.1706","0.1783","","","","","","1.057","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511924","9.1322","0.0007","24.8245","0.0019","24.9616","0.0019","90","","91.72","0.001","90","","5656.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RsC3, bpy, acetonitrile","C-propylresorcinol[4]arene, 4,4'-bipyridine, acetonitrile","","- C134 H142 N12 O16 -","- C134 H142 N12 O16 -","- C268 H284 N24 O32 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0828","0.0486","","","0.1049","0.1193","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511925","13.9236","0.0011","16.3535","0.0013","23.4788","0.0019","94.21","0.001","102.18","0.001","95.903","0.001","5173.1","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","RsC3, bpy, ethanol","C-propylresorcinol[4]arene, 4,4'-bipyridine, ethanol","","- C116 H117.7 N6 O19 -","- C116 H116.2 N6 O19 -","- C232 H232.4 N12 O38 -","2","1","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.098","0.0575","","","0.1483","0.1756","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511926","18.323","0.002","19.33","0.002","19.995","0.003","95.078","0.002","98.447","0.002","110.844","0.002","6470.3","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","RsC3, bpe, acetonitrile","C-propylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, acetonitrile","","- C143.2 H142.8 N15.6 O16 -","- C143.6 H121 N16 O16 -","- C287.2 H242 N32 O32 -","2","1","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.1159","0.0782","","","0.219","0.2571","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511927","16.7317","0.0012","15.0613","0.0011","23.7764","0.0017","90","","102.962","0.001","90","","5839","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","RsC3, bpe, ethanol","C-propylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, acetonitrile","","- C132 H168 N8 O22 -","- C132 H128 N8 O20.4 -","- C264 H256 N16 O40.8 -","2","0.25","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0979","0.0682","","","0.1928","0.2158","","","","","","1.045","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511928","18.9176","0.0014","13.1485","0.0009","27.231","0.0019","90","","104.453","0.001","90","","6559","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","RsC1, bpa, acetonitrile","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, acetonitrile","","- C70 H73 N7 O8 -","- C70 H64 N7 O8 -","- C280 H256 N28 O32 -","4","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0828","0.0657","","","0.1964","0.2112","","","","","","1.066","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511929","11.1659","0.0004","11.3572","0.0004","24.089","0.0009","77.464","0.001","81.008","0.001","84.342","0.001","2938.7","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","RsC3, bpa, ethanol","C-propylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, ethanol","","- C136 H152 N9 O20 -","- C136 H146 N10 O20 -","- C136 H146 N10 O20 -","1","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","1.54178","CuKα","","0.0733","0.0713","","","0.2067","0.2091","","","","","","1.044","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511930","24.0884","0.0016","10.7929","0.0008","16.199","0.0011","90","","90.677","0.002","90","","4211.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Ag2 N4 O11 S2 -","- C44 H34 Ag2 N4 O11 S2 -","- C176 H136 Ag8 N16 O44 S8 -","4","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.0626","0.0387","","","0.1139","0.1294","","","","","","0.88","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511931","7.549","0.0015","11.126","0.002","13.287","0.003","103.367","0.006","105.626","0.006","93.767","0.006","1035.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 Ag2 N4 O10 S2 -","- C46 H38 Ag2 N4 O10 S2 -","- C46 H38 Ag2 N4 O10 S2 -","1","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.073","0.039","","","0.0585","0.0648","","","","","","1.361","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511932","7.4241","0.0007","14.8914","0.0014","14.959","0.002","114.498","0.004","99.31","0.004","100.904","0.003","1423.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 Ag3 N7 O17 S2 -","- C56 H44 Ag3 N6 O14 S2 -","- C56 H44 Ag3 N6 O14 S2 -","1","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.1225","0.0672","","","0.1249","0.1294","","","","","","2.25","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511933","8.496","0.003","11.529","0.004","12.34","0.004","102.401","0.01","101.842","0.009","106.29","0.009","1086.7","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Ag2 N4 O12 S2 -","- C44 H34 Ag2 N4 O12 S2 -","- C44 H34 Ag2 N4 O12 S2 -","1","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.1417","0.0787","","","0.1593","0.1666","","","","","","1.862","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511934","11.0439","0.001","13.4634","0.0011","16.302","0.0014","66.454","0.002","73.33","0.002","67.759","0.002","2030.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H26 Ag2 N7 O9 S -","- C34 H28 Ag2 N4 O2 -","- C68 H56 Ag4 N8 O4 -","2","1","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.0767","0.0454","","","0.0696","0.0723","","","","","","1.591","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511935","9.8819","0.0004","24.9614","0.0009","25.3649","0.0009","90","","90","","90","","6256.7","0.4","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2C60 . 2.46CS2/0.54I2","","","- C122.46 I1.09 S4.91 -","- C122.458 I1.0844 S4.9156 -","- C489.831 I4.3376 S19.6624 -","4","1","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0449","0.0412","","","0.1011","0.1037","","","","","","1.05","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511936","11.0613","0.0007","21.9269","0.0013","14.0907","0.0009","90","","90.065","0.003","90","","3417.6","0.4","90","2","90","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","C70 . I2","","","- C70 I2 -","- C70 I2 -","- C280 I8 -","4","1","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0192","0.0175","","","0.0446","0.0453","","","","","","1.084","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511937","28.316","0.005","28.318","0.005","34.196","0.006","90","","90","","90","","27420","8","90","2","90","2","","","","","","","","3","F d d d","-F 2uv 2vw","70","C70 . 0.68 I2 . 0.32 CS2","","","- C70.32 I1.36 S0.64 -","- C70.3177 I1.3645 S0.6355 -","- C2250.17 I43.664 S20.336 -","32","","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0364","0.0288","","","0.063","0.0685","","","","","","1.072","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511938","11.0939","0.0012","21.932","0.002","14.0954","0.0016","90","","90.106","0.002","90","","3429.6","0.6","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","c70 . 0.85 I2 . 0.15 CS2","","","- C70.15 I1.7 S0.3 -","- C70.15 I1.7 S0.3 -","- C280.6 I6.8 S1.2 -","4","1","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0198","0.0184","","","0.047","0.0476","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511939","12.5","0.05","9.96","0.04","11.72","0.05","90","","107.413","0.004","90","","1392","10","298","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O19 P6 Yb2 -","- C18 H24 O19 P6 Yb2 -","- C36 H48 O38 P12 Yb4 -","2","0.5","","Paz, Filipe A. Almeida; Vilela, Sérgio M. F.; Tomé, João P. C.","Layered Metal‒Organic Frameworks Based on Octahedral Lanthanides and a Phosphonate Linker: Control of Crystal Size","Crystal Growth & Design","2014","14","10","4873","","10.1021/cg500875m","powder diffraction","","0.39981","Synchrotron","","","","","","","","","1.82","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511940","12.5512","0.0017","10.2649","0.0015","11.9","0.0015","90","","107.231","0.005","90","","1464.3","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Eu2 O19 P6 -","- C18 H24 Eu2 O19 P6 -","- C36 H48 Eu4 O38 P12 -","2","0.5","","Paz, Filipe A. Almeida; Vilela, Sérgio M. F.; Tomé, João P. C.","Layered Metal‒Organic Frameworks Based on Octahedral Lanthanides and a Phosphonate Linker: Control of Crystal Size","Crystal Growth & Design","2014","14","10","4873","","10.1021/cg500875m","powder diffraction","","1.54175","CuKα","","","","","","","","","2.31","","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511941","9.60049","0.00012","9.03411","0.00012","11.17851","0.00015","90","","90","","90","","969.53","0.02","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 In N O8 -","- C8 In N O8 -","- C32 In4 N4 O32 -","4","0.5","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","powder diffraction","x-ray","0.827164","synchrotron","","","","","","","","","0.0355","1.144","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511942","13.663","0.0008","11.7211","0.0008","6.4221","0.0004","90","","99.7","0.005","90","","1013.77","0.11","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Al2 N2 O16 -","- C16 H12 Al2 N2 O16 -","- C32 H24 Al4 N4 O32 -","2","0.5","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","","","0.71073","MoKα","","0.0828","0.0562","","","0.1021","0.1103","","","","","","1.173","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511943","10.0568","0.0003","17.3408","0.0005","12.1952","0.0003","90","","111.985","0.002","90","","1972.1","0.1","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Ga2 N2 O16 -","- C16 H12 Ga2 N2 O16 -","- C64 H48 Ga8 N8 O64 -","4","1","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","","","0.71073","MoKα","","0.0543","0.0437","","","0.1023","0.1094","","","","","","1.117","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511944","37.133","0.0013","11.5278","0.0004","6.51553","0.00018","90","","109.266","0.003","90","","2632.85","0.16","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 Al3 N2 O21 -","- C16 Al3 N2 O21 -","- C64 Al12 N8 O84 -","4","0.5","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","powder diffraction","x-ray","0.827164","synchrotron","","","","","","","","","0.03","1.09523","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511945","8.2744","0.0009","17.2532","0.0012","11.0608","0.001","90","","102.849","0.01","90","","1539.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl10 Mn9 O16 Sb8 -","- Cl10 Mn9 O16 Sb8 -","- Cl20 Mn18 O32 Sb16 -","2","1","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.1229","0.0631","","","0.0925","0.1039","","","","","","0.897","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511946","7.2406","0.0006","9.8413","0.0007","11.7694","0.001","90","","104.596","0.009","90","","811.59","0.12","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cl2 Mn4 O12 Sb6 -","- Cl2 Mn4 O12 Sb6 -","- Cl4 Mn8 O24 Sb12 -","2","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71069","MoKα","","0.1447","0.0521","","","0.0601","0.0738","","","","","","0.666","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511947","9.66","0.0004","9.9264","0.0003","9.8549","0.0003","72.656","0.002","65.874","0.003","63.865","0.003","766.18","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl8 Fe7 O18 Sb10 -","- Cl8 Fe7 O18 Sb10 -","- Cl8 Fe7 O18 Sb10 -","1","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0399","0.034","","","0.0808","0.0833","","","","","","1.01","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511948","9.9229","0.0003","10.0059","0.0003","10.1097","0.0003","72.723","0.002","64.669","0.003","64.836","0.003","812.99","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Br8 Fe7 O18 Sb10 -","- Br8 Fe7 O18 Sb10 -","- Br8 Fe7 O18 Sb10 -","1","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0307","0.0239","","","0.0511","0.0545","","","","","","0.899","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511949","5.4698","0.0002","5.5479","0.0002","31.0882","0.0009","90","","90","","90","","943.4","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cl2 Mn O6 Sb4 -","- Cl2 Mn O6 Sb4 -","- Cl8 Mn4 O24 Sb16 -","4","1","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71069","MoKα","","0.0413","0.0306","","","0.0429","0.0443","","","","","","0.872","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511950","6.3099","0.0001","12.3959","0.0003","14.5287","0.0003","90","","90","","90","","1136.39","0.04","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- Br4 Fe3 O4 Sb2 -","- Br4 Fe3 O4 Sb2 -","- Br16 Fe12 O16 Sb8 -","4","","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0337","0.0237","","","0.048","0.0494","","","","","","0.865","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511951","9.9492","0.0003","10.1015","0.0003","10.1338","0.0004","74.149","0.003","66.166","0.004","65.097","0.003","838.46","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Br8 Mn7 O18 Sb10 -","- Br8 Mn7 O18 Sb10 -","- Br8 Mn7 O18 Sb10 -","1","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0455","0.0349","","","0.0703","0.0751","","","","","","1.102","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511952","8.6904","0.0002","5.4808","0.00013","16.144","0.005","90","","107.57","0.003","90","","733.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl2 Mn5 O12 Te4 -","- Cl2 Mn5 O12 Te4 -","- Cl4 Mn10 O24 Te8 -","2","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71069","MoKα","","0.0534","0.0334","","","0.0588","0.0625","","","","","","0.909","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511953","30.4597","0.0004","20.5182","0.0003","29.0708","0.0003","90","","103.115","0.001","90","","17694.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H79 N89 O17 Zn15 -","- C138 H78 N89 O17 Zn15 -","- C552 H312 N356 O68 Zn60 -","4","0.5","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0879","0.0754","","","0.2473","0.2673","","","","","","1.008","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511954","14.2829","0.0003","18.2078","0.0004","23.5984","0.0005","110.89","0.002","97.618","0.002","99.347","0.002","5535.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H55 Cl N66 O6 Zn8 -","- C102 H55 Cl N66 O6 Zn8 -","- C204 H110 Cl2 N132 O12 Zn16 -","2","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0684","0.0587","","","0.161","0.166","","","","","","1.075","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511955","17.9776","0.0004","18.9548","0.0005","23.0341","0.0006","103.422","0.002","112.134","0.002","101.695","0.002","6695.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H56 Cd8 N68 O8 -","- C102 H56 Cd8 N68 O8 -","- C204 H112 Cd16 N136 O16 -","2","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0577","0.0487","","","0.1543","0.1611","","","","","","0.987","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511956","17.7418","0.0002","14.7801","0.0002","29.7778","0.0004","90","","93.406","0.001","90","","7794.71","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H37 Ag7 N44 -","- C68 H37 Ag7 N44 -","- C272 H148 Ag28 N176 -","4","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0395","0.0342","","","0.0848","0.0874","","","","","","1.03","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511957","20.2466","0.0003","29.3207","0.0004","43.1643","0.0006","90","","90","","90","","25624.2","0.6","100","2","100","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C208 H130 Ag18 N132 O34 -","- C208 H120 Ag18 N132 O34 -","- C832 H480 Ag72 N528 O136 -","4","0.25","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0877","0.0781","","","0.2205","0.2289","","","","","","1.064","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511958","8.2728","0.0008","7.8636","0.0008","23.762","0.002","90","","96.295","0.002","90","","1536.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Acedapsone","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C64 H64 N8 O16 S4 -","4","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Pentamorphs of Acedapsone","Crystal Growth & Design","2014","14","10","5260","","10.1021/cg5010424","","","0.71073","MoKα","","0.0659","0.045","","","0.114","0.125","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511959","24.519","0.003","8.0444","0.0007","16.2501","0.0015","90","","105.767","0.002","90","","3084.6","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Acedapsone","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C128 H128 N16 O32 S8 -","8","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Pentamorphs of Acedapsone","Crystal Growth & Design","2014","14","10","5260","","10.1021/cg5010424","","","0.71073","MoKα","","0.0446","0.0427","","","0.1113","0.1134","","","","","","1.09","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511960","9.19703","0.00006","9.19703","","9.19703","","90","","90","","90","","777.934","0.005","299","","299","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 O16 S -","- Al6 Ca4 O16 S -","- Al12 Ca8 O31.9999 S2 -","2","0.0416667","","Cuesta, Ana; De la Torre, Ángeles G.; Losilla, Enrique R.; Santacruz, Isabel; Aranda, Miguel A. G.","Pseudocubic Crystal Structure and Phase Transition in Doped Ye’elimite","Crystal Growth & Design","2014","14","10","5158","","10.1021/cg501290q","powder diffraction","x-ray","0.6202","","","","","","","","","0.08441","","5.64","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511961","45.597","0.006","45.597","0.006","40.718","0.008","90","","90","","120","","73314","2","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C185 H75 In4 N O34 -","- C185 H75 In4 N O34 -","- C1665 H675 In36 N9 O306 -","9","0.5","","Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework","Crystal Growth & Design","2014","14","10","5026","","10.1021/cg5005837","","","0.71073","MoKα","","0.3237","0.0925","","","0.2502","0.3075","","","","","","0.671","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511962","44.1252","0.0008","44.1252","0.0008","42.2961","0.0009","90","","90","","120","","71319","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C72.67 H40 In2 O21.83 -","- C72.66 H40 In2 O21.8333 -","- C1307.88 H720 In36 O393 -","18","1","","Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework","Crystal Growth & Design","2014","14","10","5026","","10.1021/cg5005837","","","0.71073","MoKα","","0.2075","0.1153","","","0.3365","0.3758","","","","","","1.074","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511963","44.2269","0.0019","44.2269","0.0019","42.519","0.002","90","","90","","120","","72026","6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C72 H36 In2 O16 -","- C72 H36 In2 O16 -","- C1296 H648 In36 O288 -","18","1","","Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework","Crystal Growth & Design","2014","14","10","5026","","10.1021/cg5005837","","","0.71073","MoKα","","0.2312","0.0608","","","0.1598","0.2055","","","","","","0.869","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511964","5.4857","0.0003","11.4417","0.0004","9.9624","0.0005","90","","98.663","0.005","90","","618.16","0.05","290","","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Creatine anhydrate B","N-(aminoiminomethyl)-N-methyl glycine","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Braun, Doris E.; Orlova, Maria; Griesser, Ulrich J.","Creatine: Polymorphs Predicted and Found","Crystal Growth & Design","2014","14","10","4895","","10.1021/cg501159c","powder diffraction","","1.54056","CuKα","","","","","","","","","7.341","2.0615","","","","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511965","11.9504","0.0003","5.3453","0.0002","9.5314","0.0003","90","","90","","90","","608.85","0.03","290","","290","","","","","","","","","4","P n a 21","P 2c -2n","33","Creatine anhydrate form C","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Braun, Doris E.; Orlova, Maria; Griesser, Ulrich J.","Creatine: Polymorphs Predicted and Found","Crystal Growth & Design","2014","14","10","4895","","10.1021/cg501159c","powder diffraction","","1.54056","CuKα","","","","","","","","","4.1","2.01","","","","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511966","8.0457","0.0019","10.061","0.002","12.783","0.003","81.511","0.004","89.548","0.004","74.687","0.004","986.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Ag2 N10 O5 -","- C16 H18 Ag2 N10 O5 -","- C32 H36 Ag4 N20 O10 -","2","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.0458","0.035","","","0.0817","0.0875","","","","","","1.046","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511967","7.049","0.002","12.588","0.004","13.896","0.004","67.248","0.004","78.509","0.005","88.131","0.006","1112.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl2 Cu2 N20 O14 -","- C32 H34 Cl2 Cu2 N20 O14 -","- C32 H34 Cl2 Cu2 N20 O14 -","1","0.5","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.1325","0.0666","","","0.1447","0.171","","","","","","0.976","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511968","12.8","0.005","8.333","0.005","14.046","0.005","90","0.005","113.164","0.005","90","0.005","1377.4","1.1","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H26 Cl2 Cu N10 O14 -","- C18 H26 Cl2 Cu N10 O14 -","- C36 H52 Cl4 Cu2 N20 O28 -","2","0.5","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71069","MoKα","","0.103","0.0765","","","0.1983","0.2198","","","","","","1.049","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511969","7.1207","0.001","13.2355","0.0019","14.725","0.002","98.846","0.003","101.901","0.003","94.406","0.002","1333.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Co N10 O6 -","- C16 H20 Co N10 O6 -","- C32 H40 Co2 N20 O12 -","2","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.0756","0.0612","","","0.166","0.1773","","","","","","1.044","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511970","8.6628","0.0013","21.603","0.003","7.5795","0.0011","90","","100.174","0.003","90","","1396.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Co N12 O16 -","- C16 H30 Co N12 O16 -","- C32 H60 Co2 N24 O32 -","2","0.5","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.1076","0.0954","","","0.2073","0.2148","","","","","","1.104","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511971","7.2795","0.0018","9.856","0.003","10.962","0.003","82.736","0.004","81.059","0.004","78.575","0.004","757.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Cd Cl2 N6 O6 -","- C8 H12 Cd Cl2 N6 O6 -","- C16 H24 Cd2 Cl4 N12 O12 -","2","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.0457","0.0432","","","0.1248","0.1287","","","","","","1.117","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511972","9.772","0.005","11.071","0.005","12.865","0.005","106.417","0.005","90.094","0.005","90.033","0.005","1335.1","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Cd2 N12 O14 -","- C16 H24 Cd2 N12 O14 -","- C32 H48 Cd4 N24 O28 -","2","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71069","MoKα","","0.0528","0.0468","","","0.1344","0.1408","","","","","","1.105","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511973","12.8331","0.0019","15.626","0.002","7.545","0.0011","90","","93.225","0.003","90","","1510.6","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H8 Cd N5 O4 -","- C8 H8 Cd N5 O4 -","- C32 H32 Cd4 N20 O16 -","4","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.0951","0.0834","","","0.2496","0.2597","","","","","","1.023","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511974","38.1861","0.0011","5.00418","0.0001","8.381","0.0002","90","","102.535","0.003","90","","1563.35","0.07","295","","295","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C9 H6 Al2 O10 P3 -","- C9 H6 Al2 O10 P3 -","- C36 H24 Al8 O40 P12 -","4","0.5","","Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham","Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates","Crystal Growth & Design","2014","14","10","4976","","10.1021/cg5005215","powder diffraction","x-ray","0.42463","synchrotron","","10.74","","","","","","","","1.74","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511975","9.87808","0.0001","8.76433","0.0001","10.10872","0.0001","90","","105.536","0.001","90","","843.185","0.016","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Al O6 P2 -","- C6 H5 Al O6 P2 -","- C24 H20 Al4 O24 P8 -","4","1","","Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham","Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates","Crystal Growth & Design","2014","14","10","4976","","10.1021/cg5005215","powder diffraction","x-ray","0.41241","synchrotron","","3.86","","","","","","","","1.36","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511976","8.5943","0.0003","4.9706","0.00014","19.5499","0.0006","98.87","0.004","105.933","0.0019","89.598","0.003","792.91","0.04","453","","453","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Al2 O9 P3 -","- C9 H6 Al2 O9 P3 -","- C18 H12 Al4 O18 P6 -","2","1","","Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham","Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates","Crystal Growth & Design","2014","14","10","4976","","10.1021/cg5005215","powder diffraction","x-ray","0.41397","synchrotron","","3.28","","","","","","","","1.52","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511977","10.05306","0.00004","9.22355","0.00004","10.09498","0.00004","90","","104.776","0.0003","90","","905.101","0.007","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Al O7 P2 -","- C6 H6.9957 Al O7 P2 -","- C24 H27.9828 Al4 O28 P8 -","4","1","","Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham","Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates","Crystal Growth & Design","2014","14","10","4976","","10.1021/cg5005215","powder diffraction","x-ray","0.41398","synchrotron","","4.19","","","","","","","","1.5","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511981","28.09047","0.00002","6.946607","0.000007","12.030411","0.000012","90","","115.236","0.00006","90","","2123.49","0.004","298","","298","","","","","","","","","3","C 1 2 1","C 2y","5","hydrated rhabdophane","","","- O4.667 P Sm -","- O4.66667 P Sm -","- O112 P24 Sm24 -","24","6","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Gausse, Clémence; Kacem, Ilyes Ben; Szenknect, Stephanie; Dacheux, Nicolas","Monoclinic Form of the Rhabdophane Compounds: REEPO4·0.667H2O","Crystal Growth & Design","2014","14","10","5090","","10.1021/cg500707b","powder diffraction","","0.6967","synchrotron","","","","","","","","","4.1155","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511982","12.14431","0.00009","7.01776","0.00007","6.34756","0.00015","90","","90.028","0.003","90","","540.976","0.014","573","","573","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- O4 P Sm -","- O4 P Sm -","- O24 P6 Sm6 -","6","1.5","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Gausse, Clémence; Kacem, Ilyes Ben; Szenknect, Stephanie; Dacheux, Nicolas","Monoclinic Form of the Rhabdophane Compounds: REEPO4·0.667H2O","Crystal Growth & Design","2014","14","10","5090","","10.1021/cg500707b","powder diffraction","","1.54056","'CuKα","","","","","","","","","11.6193","","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511986","9.6293","0.0004","10.586","0.0004","18.162","0.0007","79.251","0.003","74.914","0.003","80.515","0.003","1742.95","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 N7 O13 -","- C32 H43 N7 O13 -","- C64 H86 N14 O26 -","2","1","","Dąbrowa, Kajetan; Ceborska, Magdalena; Jurczak, Janusz","Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment","Crystal Growth & Design","2014","14","10","4906","","10.1021/cg501314m","","","0.71073","MoKα","","0.078","0.0457","","","0.1047","0.1154","","","","","","1.041","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511987","9.8071","0.0012","10.691","0.002","18.124","0.002","79.07","0.014","74.952","0.011","80.468","0.013","1788.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 N7 O13 -","- C32 H43 N7 O13 -","- C64 H86 N14 O26 -","2","1","","Dąbrowa, Kajetan; Ceborska, Magdalena; Jurczak, Janusz","Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment","Crystal Growth & Design","2014","14","10","4906","","10.1021/cg501314m","","","1.54184","CuKα","","0.0989","0.0648","","","0.1794","0.2355","","","","","","1.139","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511988","16.55","0.0005","9.215","0.0003","25.111","0.0008","90","","121.388","0.002","90","","3269.21","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 N7 O10 -","- C32 H37 N7 O10 -","- C128 H148 N28 O40 -","4","1","","Dąbrowa, Kajetan; Ceborska, Magdalena; Jurczak, Janusz","Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment","Crystal Growth & Design","2014","14","10","4906","","10.1021/cg501314m","","","0.71073","MoKα","","0.1276","0.0784","","","0.1533","0.1713","","","","","","1.063","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511989","8.857","0.0015","31.574","0.005","16.097","0.003","90","","92.152","0.005","90","","4498.4","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N6 Ni O4 -","- C41 H28 N6 Ni O4 -","- C164 H112 N24 Ni4 O16 -","4","1","","Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He","Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties","Crystal Growth & Design","2014","14","10","5189","","10.1021/cg500975j","","","0.71073","MoKα","","0.0623","0.0466","","","0.1011","0.1073","","","","","","0.992","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511990","9.0061","0.0014","31.498","0.005","15.78","0.002","90","","90.584","0.004","90","","4476.1","1.1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 N8 Ni O5 -","- C44 H34 N8 Ni O5 -","- C176 H136 N32 Ni4 O20 -","4","1","","Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He","Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties","Crystal Growth & Design","2014","14","10","5189","","10.1021/cg500975j","","","0.71073","MoKα","","0.075","0.0651","","","0.1716","0.1792","","","","","","1.031","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511991","14.614","0.003","32.604","0.007","9.103","0.0018","90","","104.61","0.03","90","","4197.1","1.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H39 Co N7 O6 -","- C50 H39 Co N7 O6 -","- C200 H156 Co4 N28 O24 -","4","1","","Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He","Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties","Crystal Growth & Design","2014","14","10","5189","","10.1021/cg500975j","","","0.71073","MoKα","","0.083","0.0604","","","0.1464","0.1627","","","","","","1.112","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511992","14.867","0.003","32.323","0.006","9.1792","0.0018","90","","104.26","0.03","90","","4275.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H39 Co N7 O6 -","- C50 H39 Co N7 O6 -","- C200 H156 Co4 N28 O24 -","4","1","","Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He","Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties","Crystal Growth & Design","2014","14","10","5189","","10.1021/cg500975j","","","0.71073","MoKα","","0.3037","0.133","","","0.1857","0.2416","","","","","","1.07","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511993","7.704","0.001","12.545","0.002","15.068","0.003","90","","90","","90","","1456.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 Cl2 F5 O S -","- C13 H5 Cl2 F5 O S -","- C52 H20 Cl8 F20 O4 S4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Cardellicchio, Cosimo","Structural Motifs in Enantiopure Halogenated Aryl Benzyl Sulfoxides: Effect of Fluorine Substitution","Crystal Growth & Design","2014","14","11","5442","","10.1021/cg5006117","","","0.71073","MoKα","","0.1144","0.0633","","","0.1873","0.2628","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511994","7.72","0.0005","12.5368","0.0009","15.0423","0.0006","90","","90","","90","","1455.86","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 Cl2 F5 O S -","- C13 H5 Cl2 F5 O S -","- C52 H20 Cl8 F20 O4 S4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Cardellicchio, Cosimo","Structural Motifs in Enantiopure Halogenated Aryl Benzyl Sulfoxides: Effect of Fluorine Substitution","Crystal Growth & Design","2014","14","11","5442","","10.1021/cg5006117","","","0.71073","MoKα","","0.0691","0.0418","","","0.0894","0.1006","","","","","","1.064","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4511997","7.3551","0.0002","8.0853","0.0003","8.6347","0.0003","86.985","0.003","77.629","0.003","84.01","0.003","498.59","0.03","286.8","0.1","286.8","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Br6 N6 Re -","- C12 H12 Br6 N6 Re -","- C12 H12 Br6 N6 Re -","1","0.5","","Martínez-Lillo, José; Kong, John; Julve, Miguel; Brechin, Euan K.","Self-Assembly of the Hexabromorhenate(IV) Anion with Protonated Benzotriazoles: X-ray Structure and Magnetic Properties","Crystal Growth & Design","2014","14","11","5985","","10.1021/cg5011693","","","0.71073","MoKα","","0.0252","0.0217","","","0.0455","0.0471","","","","","","1.027","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511998","8.1914","0.0003","8.8446","0.0003","9.7565","0.0003","69.846","0.003","71.273","0.003","82.038","0.003","628.13","0.04","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Br6 N6 O2 Re -","- C16 H20 Br6 N6 O2 Re -","- C16 H20 Br6 N6 O2 Re -","1","0.5","","Martínez-Lillo, José; Kong, John; Julve, Miguel; Brechin, Euan K.","Self-Assembly of the Hexabromorhenate(IV) Anion with Protonated Benzotriazoles: X-ray Structure and Magnetic Properties","Crystal Growth & Design","2014","14","11","5985","","10.1021/cg5011693","","","0.71073","MoKα","","0.0255","0.0229","","","0.05","0.051","","","","","","1.064","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511999","21.6989","0.0003","22.0322","0.0005","23.5087","0.0004","105.718","0.002","103.213","0.001","115.237","0.002","8989.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C292 H346 Co24 N16 Na2 O76 P6 S24 -","- C292 H340 Co24 N16 Na2 O76 P6 S24 -","- C292 H340 Co24 N16 Na2 O76 P6 S24 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; AL-Thabaiti, Shaeel A.; Bawaked, Salem M.; Mokhtar, Mohamed; Chen, Qihui; Hong, Maochun","Alkali-Metal-Templated Assembly of Two High-Nuclearity Cobalt Clusters Based on Thiacalix[4]arene","Crystal Growth & Design","2014","14","11","5865","","10.1021/cg5010903","","","1.54184","CuKα","","0.0668","0.0508","","","0.1313","0.1383","","","","","","1.081","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4512000","22.8996","0.0004","24.2213","0.0003","34.991","0.0005","78.65","0.001","75.733","0.001","70.783","0.001","17618.9","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C550 H608 Cl4 Co48 K2 N16 O144 P12 S48 -","- C550 H584 Cl4 Co48 K2 N16 O144 P12 S48 -","- C550 H584 Cl4 Co48 K2 N16 O144 P12 S48 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; AL-Thabaiti, Shaeel A.; Bawaked, Salem M.; Mokhtar, Mohamed; Chen, Qihui; Hong, Maochun","Alkali-Metal-Templated Assembly of Two High-Nuclearity Cobalt Clusters Based on Thiacalix[4]arene","Crystal Growth & Design","2014","14","11","5865","","10.1021/cg5010903","","","1.54184","CuKα","","0.1397","0.0866","","","0.218","0.2456","","","","","","0.983","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512001","10.9319","0.0002","11.3535","0.0003","11.1954","0.0002","90","","105.205","0.0013","90","","1340.88","0.05","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 Br2 N4 O4 -","- C28 H30 Br2 N4 O4 -","- C56 H60 Br4 N8 O8 -","2","1","","Ravat, Prince; Borozdina, Yulia; Ito, Yoshikazu; Enkelmann, Volker; Baumgarten, Martin","Crystal Engineering of Tolane Bridged Nitronyl Nitroxide Biradicals: Candidates for Quantum Magnets","Crystal Growth & Design","2014","14","11","5840","","10.1021/cg5010787","","","0.71073","MoKα","","0.0518","0.0443","","0.0536","0.0531","0.0531","","","","","","1.0883","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4512002","10.1201","0.0003","9.7143","0.0002","14.6298","0.0005","90","","105.342","0.0012","90","","1387","0.07","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C29 H33 N5 O5 -","- C29 H33 N5 O5 -","- C58 H66 N10 O10 -","2","1","","Ravat, Prince; Borozdina, Yulia; Ito, Yoshikazu; Enkelmann, Volker; Baumgarten, Martin","Crystal Engineering of Tolane Bridged Nitronyl Nitroxide Biradicals: Candidates for Quantum Magnets","Crystal Growth & Design","2014","14","11","5840","","10.1021/cg5010787","","","0.71073","MoKα","","0.0782","0.0617","","1.0338","0.0646","0.0646","","","","","","0.7509","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512003","28.762","0.001","28.762","0.001","13.444","0.0005","90","","90","","90","","11121.6","0.7","120","","120","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C29 H33 Br N4 O5 -","- C29 H33 Br N4 O5 -","- C464 H528 Br16 N64 O80 -","16","1","","Ravat, Prince; Borozdina, Yulia; Ito, Yoshikazu; Enkelmann, Volker; Baumgarten, Martin","Crystal Engineering of Tolane Bridged Nitronyl Nitroxide Biradicals: Candidates for Quantum Magnets","Crystal Growth & Design","2014","14","11","5840","","10.1021/cg5010787","","","0.71073","MoKα","","0.075","0.0587","","0.1872","0.0666","0.0666","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512004","13.704","0.003","17.106","0.004","19.923","0.005","77.007","0.004","84.696","0.005","64.123","0.004","4094.4","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H78 Fe O18 P3 -","- C90 H78 Fe O18 P3 -","- C180 H156 Fe2 O36 P6 -","2","1","","Atzori, Matteo; Marchiò, Luciano; Clérac, Rodolphe; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Hydrogen-Bonded Supramolecular Architectures Based on Tris(Hydranilato)Metallate(III) (M = Fe, Cr) Metallotectons","Crystal Growth & Design","2014","14","11","5938","","10.1021/cg501143z","","","0.71073","MoKα","","0.1438","0.0606","","","0.1064","0.1241","","","","","","1.01","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512005","6.9435","0.0008","7.5192","0.0007","11.5084","0.0014","86.793","0.009","80.123","0.01","70.172","0.009","556.85","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N2 O3 S -","- C10 H12 N2 O3 S -","- C20 H24 N4 O6 S2 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Chelazzi, Laura; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano L.; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Bentazon: Effect of Additives on the Crystallization of Pure and Mixed Polymorphic Forms of a Commercial Herbicide","Crystal Growth & Design","2014","14","11","5729","","10.1021/cg500980j","","","0.71073","MoKα","","0.087","0.0609","","","0.1511","0.1702","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512006","8.773","0.003","9.582","0.002","13.599","0.003","90","","97.269","0.019","90","","1134","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O3 S -","- C10 H12 N2 O3 S -","- C40 H48 N8 O12 S4 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Chelazzi, Laura; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano L.; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Bentazon: Effect of Additives on the Crystallization of Pure and Mixed Polymorphic Forms of a Commercial Herbicide","Crystal Growth & Design","2014","14","11","5729","","10.1021/cg500980j","","","0.71073","MoKα","","0.258","0.1125","","","0.1199","0.1587","","","","","","1.066","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512007","12.366","0.002","13.439","0.003","26.969","0.005","90","","95.463","0.003","90","","4461.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H37.5 N5 O15 Zn3 -","- C36 H36.91 N5 O15 Zn3 -","- C144 H147.64 N20 O60 Zn12 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1098","0.0946","","","0.263","0.2772","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512008","32.407","0.006","9.575","0.0018","12.193","0.002","90","","90","","90","","3783.5","1.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H38 N2 O12 Zn2 -","- C38 H38 N2 O12 Zn2 -","- C152 H152 N8 O48 Zn8 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0736","0.0476","","","0.0963","0.11","","","","","","1.085","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512009","26.656","0.015","24.838","0.014","10.191","0.006","90","","110.667","0.007","90","","6313","6","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C75 H71 N19 O27 Zn6 -","- C74 H70 N19 O23 Zn6 -","- C148 H140 N38 O46 Zn12 -","2","0.25","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1162","0.0993","","","0.2622","0.272","","","","","","1.166","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512010","9.488","0.006","12.562","0.009","15.477","0.01","90","","106.099","0.01","90","","1772","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O6 Zn -","- C17 H23 N O6 Zn -","- C68 H92 N4 O24 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0762","0.0494","","","0.1119","0.1265","","","","","","1.037","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512011","33.843","0.012","9.954","0.003","35.817","0.012","90","","106.562","0.005","90","","11565","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H41 N2 O20 Zn4 -","- C48 H41 N2 O20 Zn4 -","- C384 H328 N16 O160 Zn32 -","8","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1481","0.1172","","","0.254","0.2697","","","","","","1.181","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512012","9.4299","0.0013","16.49","0.002","11.2803","0.0015","90","","97.731","0.002","90","","1738.1","0.4","100","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O7 Zn -","- C14 H18 N2 O7 Zn -","- C56 H72 N8 O28 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.037","0.0279","","","0.066","0.0698","","","","","","1.046","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512013","7.791","0.003","8.989","0.004","9.16","0.004","116.446","0.005","104.488","0.005","98.089","0.005","532.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 N O6 Zn -","- C10 H9 N O6 Zn -","- C20 H18 N2 O12 Zn2 -","2","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0344","0.0288","","","0.0699","0.0729","","","","","","1.046","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512014","23.31","0.02","18.952","0.018","26.57","0.02","90","","94.757","0.014","90","","11697","17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H134 N10 O39 Zn5 -","- C96 H134 N10 O39 Zn5 -","- C384 H536 N40 O156 Zn20 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1391","0.0795","","","0.1848","0.2231","","","","","","1.015","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512015","10.284","0.005","35","0.018","25.542","0.013","90","","97.98","0.009","90","","9105","8","100","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H71 N5 O35 Zn8 -","- C71 N5 O39 Zn8 -","- C284 N20 O156 Zn32 -","4","0.5","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0877","0.0661","","","0.1871","0.2073","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512016","9.2987","0.0014","16.67","0.002","11.4189","0.0017","90","","108.481","0.003","90","","1678.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O6 Zn -","- C17 H18 N2 O6 Zn -","- C68 H72 N8 O24 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0819","0.0501","","","0.1146","0.1337","","","","","","1.026","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512017","8.333","0.003","9.78","0.004","10.67","0.004","67.335","0.005","68.389","0.005","68.702","0.005","720.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 N4 O7 Zn -","- C10 H16 N4 O7 Zn -","- C20 H32 N8 O14 Zn2 -","2","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0289","0.0244","","","0.0564","0.0585","","","","","","1.052","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512018","9.509","0.003","15.18","0.004","12.246","0.003","90","","93.835","0.004","90","","1763.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.25 H17.75 N1.25 O6.25 Zn -","- C14.25 H17.75 N1.25 O6.25 Zn -","- C57 H71 N5 O25 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0573","0.0407","","","0.1011","0.1098","","","","","","1.048","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512019","9.46","0.016","15.98","0.03","11.574","0.02","90","","93.89","0.02","90","","1746","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O6 Zn -","- C15 H19 N O6 Zn -","- C60 H76 N4 O24 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1314","0.0761","","","0.1737","0.2016","","","","","","1.016","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512020","7.3931","0.0008","7.5175","0.001","15.0471","0.0016","82.133","0.01","77.444","0.009","73.205","0.01","779","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Isoniazid-Ferulic acid","Isonicotinohydrazide-(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C32 H34 N6 O10 -","2","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.0501","0.0376","","","0.0923","0.1009","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512021","7.3139","0.0005","7.4461","0.0006","14.2942","0.0009","101.678","0.006","91.124","0.005","109.433","0.007","715.72","0.1","293","2","298","2","","","","","","","","4","P -1","-P 1","2","Isoniazid-Vanillic acid","Isonicotinohydrazide-4-Hydroxy-3-methoxybenzoic acid","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C28 H30 N6 O10 -","2","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.0499","0.04","","","0.1077","0.1173","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512022","7.247","0.0012","20.694","0.004","9.6836","0.0016","90","","100.974","0.003","90","","1425.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoniazid-Caffeic acid","Isonicotinohydrazide-3-(3,4-Dihydroxyphenyl)-2-propenoic acid","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C60 H60 N12 O20 -","4","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.0736","0.0507","","","0.1069","0.1172","","","","","","1.041","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512023","25.379","0.003","4.9943","0.0006","22.281","0.003","90","","91.741","0.012","90","","2822.8","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Isoniazid-Vanillic acid","Isonicotinohydrazide-4-Hydroxy-3-methoxybenzoic acid","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C112 H120 N24 O40 -","8","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.1938","0.0624","","","0.0687","0.1108","","","","","","0.896","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512024","5.0623","0.0005","16.119","0.002","14.6266","0.0015","90","","96.618","0.01","90","","1185.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoniazid-Resorcinol","Isonicotinohydrazide-Benzene-1,3-diol","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C48 H52 N12 O12 -","4","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.099","0.0535","","","0.0957","0.1184","","","","","","1.015","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512025","7.4051","0.0016","9.733","0.002","10.384","0.002","74.183","0.003","84.064","0.004","78.944","0.003","705.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Isoniazid-Caffeic acid","Isonicotinohydrazide-3-(3,4-Dihydroxyphenyl)-2-propenoic acid","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C30 H30 N6 O10 -","2","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.0543","0.0446","","","0.1168","0.1236","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512027","6.3856","0.0005","6.6445","0.0005","10.5589","0.0008","90","","91.304","0.007","90","","447.89","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 N2 O4 S -","- C6 H8 N2 O4 S -","- C12 H16 N4 O8 S2 -","2","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure–Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0694","0.0645","","","0.2109","0.2173","","","","","","1.645","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512028","4.95459","0.00019","7.5581","0.0003","17.8016","0.0006","92.253","0.003","90.649","0.003","109.029","0.004","629.5","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 N4 O10 S2 -","- C18 H32 N4 O10 S2 -","- C18 H32 N4 O10 S2 -","1","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure–Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0543","0.0526","","","0.1553","0.1583","","","","","","0.991","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512029","9.029","0.0003","5.75526","0.00018","18.2666","0.0005","90","","98.566","0.003","90","","938.62","0.05","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N4 O4 S2 -","- C14 H22 N4 O4 S2 -","- C28 H44 N8 O8 S4 -","2","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure–Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0537","0.0494","","","0.1547","0.1621","","","","","","1.201","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512030","8.4023","0.0006","7.5547","0.0005","17.3163","0.0012","90","","103.335","0.002","90","","1069.55","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O4 S2 -","- C16 H26 N4 O4 S2 -","- C32 H52 N8 O8 S4 -","2","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure–Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","0.71073","MoKα","","0.0582","0.0478","","","0.1174","0.1331","","","","","","1.136","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512031","5.28","0.0002","22.5958","0.0011","8.6882","0.0004","90","","97.883","0.004","90","","1026.76","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O4 S2 -","- C16 H26 N4 O4 S2 -","- C32 H52 N8 O8 S4 -","2","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure–Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0634","0.0546","","","0.1828","0.2056","","","","","","0.84","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512032","8.702","0.006","7.721","0.005","17.891","0.013","90","","95.326","0.014","90","","1196.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N4 O4 S2 -","- C18 H30 N4 O4 S2 -","- C36 H60 N8 O8 S4 -","2","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure–Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","0.71073","MoKα","","0.0687","0.0424","","","0.1167","0.1385","","","","","","0.902","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512033","4.16465","0.00011","22.558","0.0006","10.8698","0.0003","90","","93.487","0.002","90","","1019.29","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C32 H40 N8 O16 S4 -","4","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure–Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0488","0.0473","","","0.1684","0.1706","","","","","","1.493","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512034","20.921","0.006","9.511","0.003","10.886","0.003","90","","103.274","0.004","90","","2108.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 N4 O8 S2 -","- C16 H24 N4 O8 S2 -","- C64 H96 N16 O32 S8 -","4","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure–Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","0.71073","MoKα","","0.0607","0.054","","","0.1581","0.1652","","","","","","1.284","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512035","12.8","0.017","4.945","0.007","27.64","0.04","90","","94.73","0.019","90","","1744","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N2 O4 S -","- C14 H24 N2 O4 S -","- C56 H96 N8 O16 S4 -","4","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure–Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","0.71073","MoKα","","0.1997","0.0756","","","0.1981","0.2812","","","","","","0.986","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512036","11.3596","0.0003","14.6265","0.0007","13.1548","0.0004","90","","91.993","0.003","90","","2184.36","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 N4 O4 S2 -","- C18 H30 N4 O4 S2 -","- C72 H120 N16 O16 S8 -","4","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0838","0.0722","","","0.2265","0.2412","","","","","","1.622","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512037","7.8169","0.0004","7.8365","0.0006","11.4009","0.0008","73.31","0.006","82.018","0.005","65.685","0.006","609.46","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 N4 O4 S2 -","- C20 H34 N4 O4 S2 -","- C20 H34 N4 O4 S2 -","1","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure–Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0488","0.0459","","","0.1558","0.1692","","","","","","0.761","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512038","16.774","0.005","16.774","0.005","13.913","0.005","90","0.005","90","0.005","120","0.005","3390.2","1.9","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C63 H39 B F4 N12 Ni2 O6 -","- C63 H39 B0.99 F3.96 N12 Ni2 O6 -","- C126 H78 B1.98 F7.92 N24 Ni4 O12 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.1131","0.1014","","","0.2991","0.3167","","","","","","1.357","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512039","16.802","0.005","16.802","0.005","13.96","0.005","90","0.005","90","0.005","120","0.005","3413","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl N12 Ni2 O10 -","- C63 H39 Cl0.99 N12 Ni2 O9.96 -","- C126 H78 Cl1.98 N24 Ni4 O19.92 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71069","MoKα","","0.0616","0.0534","","","0.1449","0.1524","","","","","","1.095","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512040","16.87","0.005","16.87","0.005","13.886","0.005","90","0.005","90","0.005","120","0.005","3422.5","1.9","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C63 H39 N13 Ni2 O9 -","- C63 H39 N13 Ni2 O9 -","- C126 H78 N26 Ni4 O18 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.0791","0.0701","","","0.2062","0.2148","","","","","","1.092","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512041","16.946","0.005","16.946","0.005","13.838","0.005","90","0.005","90","0.005","120","0.005","3441.4","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl N12 Ni2 O6 -","- C63 H39 Cl N12 Ni2 O6 -","- C126 H78 Cl2 N24 Ni4 O12 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.05","0.0408","","","0.1029","0.1086","","","","","","1.101","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512042","16.901","0.005","16.901","0.005","14.082","0.005","90","0.005","90","0.005","120","0.005","3483.5","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Co2 N12 O10 -","- C63 H39 Cl0.99 Co2 N12 O9.96 -","- C126 H78 Cl1.98 Co4 N24 O19.92 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.132","0.0874","","","0.1814","0.2035","","","","","","1.112","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512043","17.03","0.005","17.03","0.005","13.908","0.005","90","0.005","90","0.005","120","0.005","3493.2","1.9","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Co2 N13 O9 -","- C63 H39 Co2 N13 O9 -","- C126 H78 Co4 N26 O18 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.096","0.0752","","","0.2278","0.2448","","","","","","1.096","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512044","17.088","0.005","17.088","0.005","13.892","0.005","90","0.005","90","0.005","120","0.005","3513","1.9","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.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.0669","0.0547","","","0.1348","0.1413","","","","","","1.093","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512045","17.033","0.005","17.033","0.005","13.928","0.005","90","0.005","90","0.005","120","0.005","3499.5","1.9","100","2","100","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C63 H39 Cl Co2 N12 O6 -","- C63 H39 Cl Co2 N12 O6 -","- C126 H78 Cl2 Co4 N24 O12 -","2","0.333333","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.083","0.0586","","","0.1396","0.1528","","","","","","1.024","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512046","16.975","0.005","16.975","0.005","13.917","0.005","90","0.005","90","0.005","120","0.005","3472.9","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H57 Cl Co2 N12 O16 -","- C72 H57 Cl Co2 N12 O16 -","- C144 H114 Cl2 Co4 N24 O32 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.0835","0.074","","","0.2227","0.2298","","","","","","1.166","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512047","17.872","0.002","28.462","0.002","14.1464","0.0014","90","","91.662","0.003","90","","7192.9","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H39 Cl Mn2 N12 O6 -","- C63 H39 Cl Mn2 N12 O6 -","- C252 H156 Cl4 Mn8 N48 O24 -","4","0.5","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.1225","0.0768","","","0.2065","0.2438","","","","","","1.041","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512048","13.1547","0.0009","13.6652","0.0009","15.592","0.001","105.471","0.0019","100.898","0.002","103.68","0.0018","2527.7","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C61 H31 N19 -","- C61 H31 N19 -","- C122 H62 N38 -","2","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0534","","","","0.1783","","","","","","0.964","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512049","8.0675","0.0009","8.0934","0.0009","15.5631","0.0018","83.1512","0.0014","76.1582","0.0014","76.0042","0.0014","955.33","0.19","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H26 N14 -","- C48 H26 N14 -","- C48 H26 N14 -","1","0.5","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71073","MoKα","","0.0509","0.0433","","","0.1165","0.1239","","","","","","1.03","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512050","7.7599","0.0004","25.3409","0.0012","13.0885","0.0006","90","","92.7802","0.0013","90","","2570.7","0.2","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H32 N18 -","- C61 H32 N18 -","- C122 H64 N36 -","2","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0365","","","","0.1053","","","","","","0.951","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512051","7.792","0.003","12.715","0.004","13.1","0.004","86.007","0.014","87.137","0.012","82.964","0.018","1283.9","0.8","273","","273","","","","","","","","","3","P 1","P 1","1","","","","- C61 H32 N18 -","- C61 H32 N18 -","- C61 H32 N18 -","1","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0568","","","","0.1696","","","","","","1.022","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512052","7.7633","0.0017","13.078","0.004","13.081","0.004","76.175","0.013","88.07","0.02","87.743","0.013","1288.2","0.6","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C62 H34 N18 -","- C62 H34 N18 -","- C62 H34 N18 -","1","0.5","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.048","","","","0.1226","","","","","","1.017","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512053","7.7658","0.0017","13.274","0.004","25.224","0.005","93.634","0.013","95.231","0.01","90.757","0.01","2583.7","1.1","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C63 H36 N18 -","- C63 H36 N18 -","- C126 H72 N36 -","2","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0707","","","","0.225","","","","","","1.066","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512054","7.8494","0.0017","9.803","0.003","14.557","0.004","76.285","0.01","82.75","0.007","81.523","0.011","1071.4","0.5","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H34 N14 -","- C52 H34 N14 -","- C52 H34 N14 -","1","0.5","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0445","","","","0.1314","","","","","","1.034","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512055","7.6612","0.0015","13.068","0.004","14.039","0.004","76.243","0.011","76.68","0.016","80.966","0.012","1320.7","0.6","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C64 H38 N18 -","- C64 H38 N18 -","- C64 H38 N18 -","1","0.5","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0499","","","","0.1475","","","","","","1.05","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512056","5.8981","0.0001","5.8981","0.0001","23.2029","0.0007","90","","90","","120","","699.03","0.03","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba2 Fe22.46 O38 Ti1.54 -","- Ba2 Fe22.74 O38 Ti1.26 -","- Ba2 Fe22.74 O38 Ti1.26 -","1","0.0416667","","Vinnik, Denis A.; Zherebtsov, Dmitry A.; Mashkovtseva, Lubov S.; Nemrava, Sandra; Perov, Nikolai S.; Semisalova, Anna S.; Krivtsov, Igor V.; Isaenko, Ludmila I.; Mikhailov, Gennady G.; Niewa, Rainer","Ti-Substituted BaFe12O19Single Crystal Growth and Characterization","Crystal Growth & Design","2014","14","11","5834","","10.1021/cg501075c","","","0.71073","MoKα","","0.0273","0.025","","","0.059","0.0602","","","","","","3.324","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512059","33.2711","0.0008","10.8322","0.0003","33.0273","0.0011","90","","118.742","0.001","90","","10436.5","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C89 H106 Cl2 Hg4 I8 O16 S4 -","- C89 H106 Cl2 Hg4 I8 O16 S4 -","- C356 H424 Cl8 Hg16 I32 O64 S16 -","4","0.5","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0803","0.0603","","","0.1569","0.1754","","","","","","1.024","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512060","30.8857","0.0012","16.9408","0.0007","10.3607","0.0004","90","","90","","90","","5421","0.4","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C49 H54 Cl2 Hg2 N4 O8 S6 -","- C49 H54 Cl2 Hg2 N4 O8 S6 -","- C196 H216 Cl8 Hg8 N16 O32 S24 -","4","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0497","0.0408","","","0.0902","0.0947","","","","","","1.009","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512061","29.8008","0.0007","20.536","0.0005","17.0526","0.0004","90","","107.387","0.001","90","","9959.2","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Cd2 I4 O8 S2 -","- C44 H52 Cd2 I4 O8 S2 -","- C352 H416 Cd16 I32 O64 S16 -","8","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0762","0.0413","","","0.0803","0.0929","","","","","","1.003","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512062","30.164","0.0007","20.3123","0.0005","17.0779","0.0004","90","","107.648","0.001","90","","9971.2","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H104 Cd3 Hg I8 O16 S4 -","- C88 H104 Cd3 Hg I8 O16 S4 -","- C352 H416 Cd12 Hg4 I32 O64 S16 -","4","0.5","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0873","0.0737","","","0.2263","0.2412","","","","","","1.041","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512063","27.7063","0.0005","26.8081","0.0004","30.0316","0.0005","90","","95.639","0.001","90","","22198.1","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C380 H412 Cu12 K16 N28 O64 S44 -","- C380 H412 Cu12 K16 N28 O64 S44 -","- C760 H824 Cu24 K32 N56 O128 S88 -","2","0.5","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.1278","0.0688","","","0.1689","0.189","","","","","","1.033","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512064","15.747","0.0003","30.7069","0.0006","13.051","0.0002","90","","99.258","0.001","90","","6228.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Hg3 K2 N8 O8 S10 -","- C52 H52 Hg3 K2 N8 O8 S10 -","- C208 H208 Hg12 K8 N32 O32 S40 -","4","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0547","0.0362","","","0.0838","0.0942","","","","","","1.036","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512065","62.113","0.006","14.037","0.0012","14.5232","0.0013","90","","92.444","0.008","90","","12651","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Cd3.5 I9 K2 O8 S2 -","- C44 H52 Cd3.5 I9 K2 O8 S2 -","- C352 H416 Cd28 I72 K16 O64 S16 -","8","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.1288","0.1131","","","0.327","0.3434","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512066","22.0389","0.0009","13.5835","0.0005","15.0343","0.0005","90","","115.944","0.004","90","","4047.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 Fe N6 O3 S2 -","- C34 H24 Fe N6 S2 -","- C136 H96 Fe4 N24 S8 -","4","0.5","","Wu, Xue-Ru; Yang, Xü; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Solvent-Mediated Isomerization of FeIIComplexes from a 3D 65·8 Framework to a 2D 44Rhombus-Grid Network","Crystal Growth & Design","2014","14","10","4891","","10.1021/cg5011506","","","0.71073","MoKα","","0.1162","0.1072","","","0.3301","0.3382","","","","","","2.675","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512067","11.4071","0.0007","15.8882","0.0012","13.1892","0.0007","90","","99.639","0.006","90","","2356.6","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C34 H29 Fe N6 O2.5 S2 -","- C34 H24 Fe N6 S2 -","- C68 H48 Fe2 N12 S4 -","2","0.5","","Wu, Xue-Ru; Yang, Xü; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Solvent-Mediated Isomerization of FeIIComplexes from a 3D 65·8 Framework to a 2D 44Rhombus-Grid Network","Crystal Growth & Design","2014","14","10","4891","","10.1021/cg5011506","","","0.71073","MoKα","","0.0909","0.0683","","","0.2051","0.2247","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512068","7.7312","0.0004","9.0974","0.0004","11.4447","0.0006","99.14","0.004","104.351","0.005","104.366","0.005","734.33","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Fe N6 S2 -","- C34 H24 Fe N6 S2 -","- C34 H24 Fe N6 S2 -","1","0.5","","Wu, Xue-Ru; Yang, Xü; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Solvent-Mediated Isomerization of FeIIComplexes from a 3D 65·8 Framework to a 2D 44Rhombus-Grid Network","Crystal Growth & Design","2014","14","10","4891","","10.1021/cg5011506","","","0.71073","MoKα","","0.0475","0.0398","","","0.1261","0.1365","","","","","","0.998","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512069","12.2567","0.0004","9.1981","0.0004","11.9933","0.0004","90","","98.048","0.003","90","","1338.79","0.09","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C12 H16 F6 N8 O10 S4 Zn -","- C12 H12 F6 N8 O10 S4 Zn -","- C24 H24 F12 N16 O20 S8 Zn2 -","2","0.5","","Yao, Jia; Chen, Jia-Mei; Xu, Yi-Bo; Lu, Tong-Bu","Enhancing the Solubility of 6-Mercaptopurine by Formation of Ionic Cocrystal with Zinc Trifluoromethanesulfonate: Single-Crystal-to-Single-Crystal Transformation","Crystal Growth & Design","2014","14","10","5019","","10.1021/cg5005819","","","1.54178","CuKα","","0.0531","0.0476","","","0.1302","0.1356","","","","","","1.041","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512070","12.2295","0.0003","18.1053","0.0006","11.9682","0.0003","90","","97.479","0.002","90","","2627.44","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F6 N8 O9 S4 Zn -","- C13 H14 F6 N8 O9 S4 Zn -","- C52 H56 F24 N32 O36 S16 Zn4 -","4","1","","Yao, Jia; Chen, Jia-Mei; Xu, Yi-Bo; Lu, Tong-Bu","Enhancing the Solubility of 6-Mercaptopurine by Formation of Ionic Cocrystal with Zinc Trifluoromethanesulfonate: Single-Crystal-to-Single-Crystal Transformation","Crystal Growth & Design","2014","14","10","5019","","10.1021/cg5005819","","","1.54178","CuKα","","0.0793","0.0583","","","0.162","0.1842","","","","","","1.024","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512071","12.1058","0.0005","9.1233","0.0007","11.96","0.0005","90","","96.781","0.004","90","","1311.68","0.13","300","2","300","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C12 H10 F6 N8 O7 S4 Zn -","- C12 H10 F6 N8 O7 S4 Zn -","- C24 H20 F12 N16 O14 S8 Zn2 -","2","0.5","","Yao, Jia; Chen, Jia-Mei; Xu, Yi-Bo; Lu, Tong-Bu","Enhancing the Solubility of 6-Mercaptopurine by Formation of Ionic Cocrystal with Zinc Trifluoromethanesulfonate: Single-Crystal-to-Single-Crystal Transformation","Crystal Growth & Design","2014","14","10","5019","","10.1021/cg5005819","","","1.54178","CuKα","","0.0928","0.0779","","","0.2198","0.2439","","","","","","1.042","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512072","20.7465","0.0002","20.7465","0.0002","20.7465","0.0002","90","","90","","90","","8929.65","0.15","100","2","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-66","Zr(IV) terephthalate metal-organic framework","","- C34.94 H17.47 O61.74 Zr6 -","- C34.896 H17.448 O61.68 Zr6 -","- C139.584 H69.792 O246.72 Zr24 -","4","0.0208333","","Øien, Sigurd; Wragg, David; Reinsch, Helge; Svelle, Stian; Bordiga, Silvia; Lamberti, Carlo; Lillerud, Karl Petter","Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5370","","10.1021/cg501386j","","x-ray","0.76","synchrotron","","0.0244","0.0233","","","0.071","0.0714","","","","","","1.113","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512073","26.8809","0.0003","26.8809","0.0003","26.8809","0.0003","90","","90","","90","","19423.7","0.4","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C84 H48 O32 Zr6 -","- C84 H48 O32 Zr6 -","- C336 H192 O128 Zr24 -","4","0.0208333","","Øien, Sigurd; Wragg, David; Reinsch, Helge; Svelle, Stian; Bordiga, Silvia; Lamberti, Carlo; Lillerud, Karl Petter","Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5370","","10.1021/cg501386j","","x-ray","0.76","synchrotron","","0.0232","0.0206","","","0.0546","0.0553","","","","","","1.047","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512074","20.7465","0.0002","20.7465","0.0002","20.7465","0.0002","90","","90","","90","","8929.65","0.15","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-66","Zr(IV) terephthalate metal-organic framework","","- C34.32 H17.14 O32.02 Zr6 -","- C34.272 H17.136 O32 Zr6 -","- C137.088 H68.544 O128 Zr24 -","4","0.0208333","","Øien, Sigurd; Wragg, David; Reinsch, Helge; Svelle, Stian; Bordiga, Silvia; Lamberti, Carlo; Lillerud, Karl Petter","Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5370","","10.1021/cg501386j","","x-ray","0.76","synchrotron","","0.0207","0.0198","","","0.0601","0.0603","","","","","","1.155","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512075","20.913","0.019","13.424","0.011","15.628","0.011","90","","123.171","0.011","90","","3672","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cu2 I2 S2 -","- C15 H16 Cu2 I2 S2 -","- C120 H128 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0561","0.0526","","","0.1064","0.1081","","","","","","1.056","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512076","20.375","0.003","14.222","0.0019","15.564","0.002","90","","121.296","0.002","90","","3853.8","0.9","130","2","130","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cu2 I2 O2 S2 -","- C15 H16 Cu2 I2 O2 S2 -","- C120 H128 Cu16 I16 O16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα","","0.0781","0.0762","","","0.1916","0.1922","","","","","","1.498","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512077","15.46176","0.00017","11.47353","0.00013","40.5252","0.0005","90","","90","","90","","7189.21","0.14","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H32 Cu4 I4 S4 -","- C30 H32 Cu4 I4 S4 -","- C240 H256 Cu32 I32 S32 -","8","2","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0317","0.0263","","","0.063","0.0641","","","","","","1.033","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512078","19.986","0.002","18.1136","0.0012","15.6749","0.0015","90","","106.651","0.011","90","","5436.7","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cu2 I2 S2 -","- C23 H32 Cu2 I2 S2 -","- C184 H256 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.057","0.0335","","","0.0462","0.0473","","","","","","1.011","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512079","12.8375","0.0006","6.4922","0.0003","16.7746","0.0008","90","","93.041","0.001","90","","1396.09","0.11","130","2","130","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C26 H24 Br2 Cu2 S4 -","- C26 H24 Br2 Cu2 S4 -","- C52 H48 Br4 Cu4 S8 -","2","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα","","0.0802","0.0451","","","0.0742","0.0841","","","","","","0.919","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512080","37.0978","0.001","7.8345","0.0002","24.6467","0.0005","90","","124.728","0.002","90","","5887.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Br Cu S4 -","- C30 H32 Br Cu S4 -","- C240 H256 Br8 Cu8 S32 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0294","0.0229","","","0.0571","0.0602","","","","","","1.035","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512081","6.576","0.003","22.668","0.011","10.996","0.005","90","","95.183","0.01","90","","1632.4","1.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br Cu O2 S2 -","- C15 H16 Br Cu O2 S2 -","- C60 H64 Br4 Cu4 O8 S8 -","4","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0823","0.0399","","","0.063","0.0729","","","","","","1.001","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512082","17.6959","0.0012","13.8363","0.001","13.0155","0.001","90","","101.879","0.003","90","","3118.5","0.4","115","","115","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Br Cu S2 -","- C15 H16 Br Cu S2 -","- C120 H128 Br8 Cu8 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα","K-L~3~","0.0382","0.0287","","","0.0591","0.0642","","","","","","1.049","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512083","13.6576","0.0004","16.2552","0.0005","16.3334","0.0005","90","","90","","90","","3626.13","0.19","115","2","115","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H19 Br Cu N S2 -","- C17 H19 Br Cu N S2 -","- C136 H152 Br8 Cu8 N8 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0278","0.02","","","0.046","0.0483","","","","","","1.036","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512084","20.8678","0.0005","11.6643","0.0004","15.5812","0.0005","90","","119.489","0.001","90","","3301.26","0.18","115","2","115","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cu2 I2 S2 -","- C13 H12 Cu2 I2 S2 -","- C104 H96 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0296","0.0268","","","0.061","0.0625","","","","","","1.11","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512085","20.9419","0.0004","11.6698","0.0003","15.5977","0.0004","90","","119.536","0.001","90","","3316.52","0.14","155","2","155","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cu2 I2 S2 -","- C13 H12 Cu2 I2 S2 -","- C104 H96 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0293","0.026","","","0.0574","0.059","","","","","","1.093","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512086","21.023","0.0005","11.6821","0.0003","15.6172","0.0004","90","","119.628","0.001","90","","3334","0.15","195","2","195","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cu2 I2 S2 -","- C13 H12 Cu2 I2 S2 -","- C104 H96 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0329","0.029","","","0.063","0.0653","","","","","","1.101","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512087","19.179","0.0004","11.5855","0.0003","15.5817","0.0004","90","","105.437","0.001","90","","3337.32","0.14","235","2","235","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cu4 I4 S4 -","- C26 H24 Cu4 I4 S4 -","- C104 H96 Cu16 I16 S16 -","4","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.052","0.0381","","","0.0986","0.1086","","","","","","1.096","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512088","20.6176","0.001","13.5558","0.0007","15.5707","0.0007","90","","123.399","0.001","90","","3633.2","0.3","115","","115","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.036","0.0322","","","0.093","0.0943","","","","","","1.284","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512089","20.698","0.0013","13.5689","0.0009","15.5919","0.0009","90","","123.481","0.002","90","","3652.4","0.4","155","","155","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0355","0.0311","","","0.0876","0.0891","","","","","","1.255","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512090","20.7724","0.0015","13.58","0.001","15.6132","0.001","90","","123.529","0.002","90","","3671.5","0.5","195","","195","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0454","0.035","","","0.0944","0.0977","","","","","","1.223","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512091","20.843","0.002","13.5799","0.0015","15.6226","0.0015","90","","123.622","0.002","90","","3682.2","0.7","235","","235","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0529","0.0385","","","0.1055","0.1107","","","","","","1.256","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512092","20.941","0.004","13.579","0.003","15.667","0.003","90","","123.704","0.004","90","","3706.2","1.3","235","","235","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0462","0.0366","","","0.1121","0.116","","","","","","1.244","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512093","14.253","0.003","17.358","0.004","24.575","0.005","90","","90","","90","","6080","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N4 Ni O7 S -","- C30 H28 N4 Ni O7 S -","- C240 H224 N32 Ni8 O56 S8 -","8","2","","do Pim, Walace D.; Simões, Tatiana R. G.; Oliveira, Willian X. C.; Fernandes, Isabella R. A.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M.","Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks","Crystal Growth & Design","2014","14","11","5929","","10.1021/cg501134y","","","1.5418","CuKα","","0.0935","0.0706","","","0.168","0.1869","","","","","","1.025","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512094","13.7575","0.0006","15.2378","0.0006","15.4772","0.0007","90","","107.356","0.004","90","","3096.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cu N4 O10 S -","- C30 H34 Cu N4 O10 S -","- C120 H136 Cu4 N16 O40 S4 -","4","1","","do Pim, Walace D.; Simões, Tatiana R. G.; Oliveira, Willian X. C.; Fernandes, Isabella R. A.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M.","Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks","Crystal Growth & Design","2014","14","11","5929","","10.1021/cg501134y","","","1.5418","CuKα","","0.0977","0.0608","","","0.1559","0.1831","","","","","","1.018","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512095","23.529","0.003","19.2568","0.0006","16.5702","0.0019","90","","134.7","0.02","90","","5337","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 Cu2 N8 O15 -","- C56 H44 Cu2 N8 O15 -","- C224 H176 Cu8 N32 O60 -","4","0.5","","do Pim, Walace D.; Simões, Tatiana R. G.; Oliveira, Willian X. C.; Fernandes, Isabella R. A.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M.","Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks","Crystal Growth & Design","2014","14","11","5929","","10.1021/cg501134y","","","1.5418","CuKα","","0.0754","0.0502","","","0.1203","0.1378","","","","","","1.07","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512096","14.5988","0.0011","18.3712","0.0013","29.645","0.002","75.894","0.002","82.961","0.002","89.936","0.002","7649.4","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","3 in manuscript","","","- C40 H50 Br2 Si2 -","- C40 H50 Br2 Si2 -","- C320 H400 Br16 Si16 -","8","4","","Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.","Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?","Crystal Growth & Design","2014","14","11","5962","","10.1021/cg5011538","","","0.71073","MoKα","","0.1417","0.0623","","","0.1112","0.1324","","","","","","0.91","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512097","13.61","0.004","15.889","0.004","18.55","0.005","83.035","0.005","80.225","0.005","90.002","0.005","3923.1","1.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","4 in manuscript","","","- C38 H48 I2 N2 Si2 -","- C38 H48 I2 N2 Si2 -","- C152 H192 I8 N8 Si8 -","4","2","","Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.","Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?","Crystal Growth & Design","2014","14","11","5962","","10.1021/cg5011538","","","0.71073","MoKα","","0.1292","0.0843","","","0.2036","0.2455","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512098","13.244","0.004","15.75","0.005","18.711","0.006","96.878","0.007","100.07","0.007","90.069","0.007","3814","2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","5 in manuscript","","","- C38 H48 Br2 N2 Si2 -","- C38 H48 Br2 N2 Si2 -","- C152 H192 Br8 N8 Si8 -","4","2","","Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.","Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?","Crystal Growth & Design","2014","14","11","5962","","10.1021/cg5011538","","","0.71073","MoKα","","0.1653","0.0878","","","0.2172","0.2569","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512099","35.2753","0.0013","15.2226","0.0005","14.7459","0.0005","90","","104.246","0.001","90","","7674.8","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","6 in manuscript","","","- C38 H47 Br3 N2 Si2 -","- C38 H47 Br3 N2 Si2 -","- C304 H376 Br24 N16 Si16 -","8","1","","Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.","Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?","Crystal Growth & Design","2014","14","11","5962","","10.1021/cg5011538","","","0.71073","MoKα","","0.0956","0.0659","","","0.1383","0.1526","","","","","","1.02","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512100","4.9917","0.0002","14.1715","0.0005","9.5119","0.0004","90","","94.629","0.003","90","","670.68","0.05","20","0.1","20","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","0.5","","Zhurov, Vladimir V.; Pinkerton, A. Alan","Quantifying the Inter- and Intramolecular Interactions in Crystalline Phthalic Acid","Crystal Growth & Design","2014","14","11","5685","","10.1021/cg500970v","","","0.71073","MoKα","","0.0159","0.0159","","","","0.014","0.0157","","","","","0.9865","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512101","9.33","0.0019","13.642","0.003","16.734","0.003","90","","95.92","0.03","90","","2118.5","0.7","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 Mo N8 -","- C8 Cl3 Co Cs4 Mo N8 -","- C32 Cl12 Co4 Cs16 Mo4 N32 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Takahashi, Daisuke; Kinoshita, Takaaki; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Cesium Cyano-Bridged CoII‒MV(M = Mo and W) Layered Frameworks Exhibiting High Thermal Durability and Metamagnetism","Crystal Growth & Design","2014","14","11","6093","","10.1021/cg501250p","","","0.689","synchrotron","","0.047","0.0345","","","0.0837","0.1159","","","","","","0.995","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512102","9.3455","0.0016","13.677","0.002","16.773","0.003","90","","95.956","0.003","90","","2132.3","0.6","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Takahashi, Daisuke; Kinoshita, Takaaki; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Cesium Cyano-Bridged CoII‒MV(M = Mo and W) Layered Frameworks Exhibiting High Thermal Durability and Metamagnetism","Crystal Growth & Design","2014","14","11","6093","","10.1021/cg501250p","","","0.71075","MoKα","","0.0698","0.0479","","","0.0852","0.0925","","","","","","1.07","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512103","10.5038","0.0003","34.0884","0.0008","16.2118","0.0004","90","","95.3653","0.0006","90","","5779.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53 Co2 N11 O15 S2 -","- C57 H53 Co2 N11 O15 S2 -","- C228 H212 Co8 N44 O60 S8 -","4","1","","Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh","Correlation of Mesh Size of Metal‒Carboxylate Layer with Degree of Interpenetration in Pillared-Layer Frameworks","Crystal Growth & Design","2014","14","11","5608","","10.1021/cg500871d","","","0.71073","MoKα","","0.0709","0.0518","","","0.1445","0.1548","","","","","","1.017","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512104","18.3924","0.0004","18.3924","0.0004","20.0627","0.001","90","","90","","120","","5877.6","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H80 Co3 N14 O29 -","- C72 H48 Co3 N12 O18 -","- C216 H144 Co9 N36 O54 -","3","0.166667","","Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh","Correlation of Mesh Size of Metal‒Carboxylate Layer with Degree of Interpenetration in Pillared-Layer Frameworks","Crystal Growth & Design","2014","14","11","5608","","10.1021/cg500871d","","","0.71073","MoKα","","0.0611","0.0437","","","0.1164","0.1231","","","","","","1.008","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512107","10.179","0.002","4.9461","0.001","17.042","0.003","90","","90","","90","","858","0.3","120","0.2","120","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering","Crystal Growth & Design","2014","14","11","5784","","10.1021/cg501044n","","","0.71073","MoKα","","0.0347","0.032","","","0.075","0.0762","","","","","","1.156","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512108","10.193","0.002","4.9967","0.001","17.127","0.003","90","","90","","90","","872.3","0.3","300","0.5","300","0.5","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering","Crystal Growth & Design","2014","14","11","5784","","10.1021/cg501044n","","","0.71073","MoKα","","0.0375","0.0334","","","0.0752","0.0768","","","","","","1.122","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512109","10.21","0.002","5.008","0.001","17.153","0.003","90","","90","","90","","877.1","0.3","383","0.5","383","0.5","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering","Crystal Growth & Design","2014","14","11","5784","","10.1021/cg501044n","","","0.71073","MoKα","","0.0407","0.0353","","","0.0792","0.0816","","","","","","1.139","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512111","8.3263","0.0008","12.0421","0.0011","24.7248","0.0019","90","","100.397","0.003","90","","2438.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl3 N4 O13 -","- C20 H19 Cl3 N4 O13 -","- C80 H76 Cl12 N16 O52 -","4","1","","Manna, Prankrishna; Seth, Saikat Kumar; Mitra, Monojit; Choudhury, Somnath Ray; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Experimental and Computational Study of Counterintuitive ClO4–···ClO4–Interactions and the Interplay between π±-π and Anion···π+Interactions","Crystal Growth & Design","2014","14","11","5812","","10.1021/cg5014126","","","0.71073","MoKα","","0.0584","0.0517","","","0.1325","0.1368","","","","","","1.075","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512112","16.8803","0.0019","9.7363","0.0011","18.993","0.002","90","","102.645","0.002","90","","3045.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Cu2 N8 O16 -","- C26 H26 Cu2 N8 O16 -","- C104 H104 Cu8 N32 O64 -","4","1","","Li, Zhuo; Wang, Yu-Fang; Liu, Bin; Zheng, Tian-Yu; Zhang, Shi-Chao; Zhao, Jian-She","Pressure-Dependent Pseudo-Polymorphism of Polymeric {[Cu2(TBA)]·2H2O}nand Dinuclear [Cu2(TBA)(H2O)2]·2H2O Complexes Based on in Situ Tetramerization of DMBA","Crystal Growth & Design","2014","14","11","5640","","10.1021/cg500935a","","","0.71073","MoKα","","0.0758","0.0527","","","0.1351","0.1517","","","","","","1.057","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512113","21.291","0.007","10.161","0.003","15.215","0.006","90","","120.542","0.01","90","","2834.9","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cu2 N8 O14 -","- C26 H24 Cu2 N8 O14 -","- C104 H96 Cu8 N32 O56 -","4","0.5","","Li, Zhuo; Wang, Yu-Fang; Liu, Bin; Zheng, Tian-Yu; Zhang, Shi-Chao; Zhao, Jian-She","Pressure-Dependent Pseudo-Polymorphism of Polymeric {[Cu2(TBA)]·2H2O}nand Dinuclear [Cu2(TBA)(H2O)2]·2H2O Complexes Based on in Situ Tetramerization of DMBA","Crystal Growth & Design","2014","14","11","5640","","10.1021/cg500935a","","","0.71073","MoKα","","0.2655","0.0857","","","0.1842","0.2655","","","","","","0.894","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512114","9.6141","0.0006","9.9322","0.0007","22.0885","0.0015","91.263","0.002","91.897","0.002","108.972","0.002","1992.3","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H14 Cl F N4 O S -","- C21 H14 Cl F N4 O S -","- C84 H56 Cl4 F4 N16 O4 S4 -","4","2","","Dey, Dhananjay; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Computational Study of the Formation of Short Centrosymmetric N–H···S Supramolecular Synthon and Related Weak Interactions in Crystalline 1,2,4-Triazoles","Crystal Growth & Design","2014","14","11","5881","","10.1021/cg501103c","","","0.71073","MoKα","","0.0951","0.0587","","","0.1507","0.1743","","","","","","1.023","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512115","9.654","0.0004","9.8749","0.0005","21.2608","0.001","86.568","0.002","89.868","0.002","70.302","0.002","1904.47","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H14 F2 N4 O S -","- C21 H14 F2 N4 O S -","- C84 H56 F8 N16 O4 S4 -","4","2","","Dey, Dhananjay; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Computational Study of the Formation of Short Centrosymmetric N–H···S Supramolecular Synthon and Related Weak Interactions in Crystalline 1,2,4-Triazoles","Crystal Growth & Design","2014","14","11","5881","","10.1021/cg501103c","","","0.71073","MoKα","","0.072","0.0426","","","0.1077","0.1202","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512116","9.7483","0.0004","10.2085","0.0004","12.235","0.0004","94.986","0.002","99.205","0.002","99.983","0.002","1175.44","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 F N4 O2 S -","- C27 H19 F N4 O2 S -","- C54 H38 F2 N8 O4 S2 -","2","1","","Dey, Dhananjay; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Computational Study of the Formation of Short Centrosymmetric N–H···S Supramolecular Synthon and Related Weak Interactions in Crystalline 1,2,4-Triazoles","Crystal Growth & Design","2014","14","11","5881","","10.1021/cg501103c","","","0.71073","MoKα","","0.0875","0.0536","","","0.1518","0.1743","","","","","","1.011","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512117","9.246","0.003","10.328","0.004","10.939","0.005","76.69","0.02","86.21","0.02","66.8","0.017","934","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H21 N3 -","- C24 H21 N3 -","- C48 H42 N6 -","2","1","","Vishnoi, Pratap; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Containment of Polynitroaromatic Compounds in a Hydrogen Bonded Triarylbenzene Host","Crystal Growth & Design","2014","14","11","5668","","10.1021/cg500948h","","","0.71075","MoKα","","0.0637","0.0452","","","0.0933","0.0977","","","","","","0.859","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512118","7.158","0.004","14.331","0.008","14.651","0.008","114.992","0.009","96.439","0.006","96.452","0.004","1332.1","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N6 O6 -","- C31 H26 N6 O6 -","- C62 H52 N12 O12 -","2","1","","Vishnoi, Pratap; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Containment of Polynitroaromatic Compounds in a Hydrogen Bonded Triarylbenzene Host","Crystal Growth & Design","2014","14","11","5668","","10.1021/cg500948h","","","0.71075","MoKα","","0.0684","0.0553","","","0.1485","0.1576","","","","","","0.998","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512119","6.943","0.003","14.503","0.005","25.797","0.009","90","","97.48","0.007","90","","2575.5","1.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N6 O7 -","- C30 H24 N6 O7 -","- C120 H96 N24 O28 -","4","1","","Vishnoi, Pratap; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Containment of Polynitroaromatic Compounds in a Hydrogen Bonded Triarylbenzene Host","Crystal Growth & Design","2014","14","11","5668","","10.1021/cg500948h","","","0.71075","MoKα","","0.0674","0.0553","","","0.1293","0.1382","","","","","","1.086","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512120","7.431","0.014","12.83","0.04","20.81","0.07","88.87","0.15","79.84","0.13","88.35","0.11","1952","10","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H33 N9 O12 -","- C42 H33 N9 O12 -","- C84 H66 N18 O24 -","2","1","","Vishnoi, Pratap; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Containment of Polynitroaromatic Compounds in a Hydrogen Bonded Triarylbenzene Host","Crystal Growth & Design","2014","14","11","5668","","10.1021/cg500948h","","","0.71075","MoKα","","0.0806","0.0609","","","0.1309","0.1436","","","","","","1.12","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512121","22.7006","0.0007","7.2522","0.0002","24.5928","0.0008","90","","114.651","0.004","90","","3679.7","0.2","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H17 Cl2 F4 I2 N -","- C13 H17 Cl2 F4 I2 N -","- C104 H136 Cl16 F32 I16 N8 -","8","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.0328","0.0257","","","0.0632","0.0649","","","","","","1.101","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512122","7.25856","0.0001","22.6912","0.0002","11.65272","0.00015","90","","107.655","0.0014","90","","1828.87","0.04","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 Cl2 F4 I2 N -","- C13 H17 Cl2 F4 I2 N -","- C52 H68 Cl8 F16 I8 N4 -","4","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.0214","0.0188","","","0.0467","0.0475","","","","","","1.074","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512123","7.36183","0.00018","23.1141","0.0005","11.7718","0.0003","90","","107.919","0.003","90","","1905.95","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Br2 F4 I2 N -","- C13 H17 Br2 F4 I2 N -","- C52 H68 Br8 F16 I8 N4 -","4","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.03","0.0233","","","0.053","0.054","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512124","11.5522","0.0004","23.5906","0.0007","7.0881","0.0002","90","","105.784","0.004","90","","1858.84","0.11","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H17 Cl2 F4 I2 N -","- C13 H17 Cl2 F4 I2 N -","- C52 H68 Cl8 F16 I8 N4 -","4","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.0135","0.0132","","","0.0324","0.0325","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512125","11.6862","0.0005","24.0917","0.0009","7.1603","0.0003","90","","106.682","0.005","90","","1931.07","0.15","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H17 Br2 F4 I2 N -","- C13 H17 Br2 F4 I2 N -","- C52 H68 Br8 F16 I8 N4 -","4","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.0277","0.0252","","","0.0496","0.0499","","","","","","1.084","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512126","13.966","0.002","13.966","0.002","4.1535","0.0008","90","","90","","90","","810.1","0.2","293","2","293","2","","","","","","","","4","P 42 n m","P 4n -2n","102","","","","- Cd0.84 Cs2 Hg5.16 S7 -","- Cd0.836 Cs2 Hg5.164 S7 -","- Cd1.672 Cs4 Hg10.328 S14 -","2","0.25","","Li, Hao; Malliakas, Christos D.; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Zhao, Lidong; Chung, Duck Young; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Investigation of Semi-Insulating Cs2Hg6S7and Cs2Hg6-xCdxS7Alloy for Hard Radiation Detection","Crystal Growth & Design","2014","14","11","5949","","10.1021/cg501151r","","","0.71073","MoKα","","0.0604","0.0595","","","0.1587","0.1647","","","","","","1.082","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512127","13.963","0.002","13.963","0.002","4.1567","0.0008","90","","90","","90","","810.4","0.2","293","2","293","2","","","","","","","","4","P 42 n m","P 4n -2n","102","","","","- Cd0.72 Cs2 Hg5.28 S7 -","- Cd0.724 Cs2 Hg5.276 S7 -","- Cd1.448 Cs4 Hg10.552 S14 -","2","0.25","","Li, Hao; Malliakas, Christos D.; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Zhao, Lidong; Chung, Duck Young; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Investigation of Semi-Insulating Cs2Hg6S7and Cs2Hg6-xCdxS7Alloy for Hard Radiation Detection","Crystal Growth & Design","2014","14","11","5949","","10.1021/cg501151r","","","0.71073","MoKα","","0.0265","0.0261","","","0.0581","0.0584","","","","","","1.047","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512128","13.968","0.002","13.968","0.002","4.1551","0.0008","90","","90","","90","","810.7","0.2","293","2","293","2","","","","","","","","4","P 42 n m","P 4n -2n","102","","","","- Cd0.54 Cs2 Hg5.46 S7 -","- Cd0.54 Cs2 Hg5.46 S7 -","- Cd1.08 Cs4 Hg10.92 S14 -","2","0.25","","Li, Hao; Malliakas, Christos D.; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Zhao, Lidong; Chung, Duck Young; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Investigation of Semi-Insulating Cs2Hg6S7and Cs2Hg6-xCdxS7Alloy for Hard Radiation Detection","Crystal Growth & Design","2014","14","11","5949","","10.1021/cg501151r","","","0.71073","MoKα","","0.029","0.0268","","","0.0602","0.0644","","","","","","1.026","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512129","15.0516","0.0006","21.3252","0.0007","9.1395","0.0003","90","","90","","90","","2933.58","0.18","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62 H62 Co2 N12 O19 -","- C62 H62 Co2 N12 O19 -","- C124 H124 Co4 N24 O38 -","2","0.5","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.71073","MoKα","","0.05","0.0395","","","0.0885","0.0945","","","","","","1.037","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512130","26.6804","0.0014","9.0407","0.0005","17.7821","0.001","90","","107.089","0.003","90","","4099.8","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Co N10 O4 -","- C42 H52 Co N10 O4 -","- C168 H208 Co4 N40 O16 -","4","0.5","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.71073","MoKα","","0.0916","0.0478","","","0.094","0.1091","","","","","","1.017","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512131","10.954","0.002","13.013","0.003","14.968","0.003","90","","104","0.03","90","","2070.2","0.8","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Co N5 O2 -","- C21 H25 Co N5 O2 -","- C84 H100 Co4 N20 O8 -","4","1","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.7109","synchrotron","","0.0775","0.0505","","","0.1144","0.1275","","","","","","1.035","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512132","33.0036","0.0008","8.55033","0.00011","21.3589","0.0004","90","","124.052","0.003","90","","4993.8","0.2","120","0.2","120","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Co N4 O5 -","- C26 H28 Co N4 O5 -","- C208 H224 Co8 N32 O40 -","8","1","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","1.54184","CuKα","","0.0566","0.0456","","","0.103","0.1106","","","","","","1.078","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512133","8.039","0.0016","9.21","0.0018","11.042","0.002","76.54","0.03","72.17","0.03","67.29","0.03","711.8","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cu N4 O6 -","- C28 H34 Cu N4 O6 -","- C28 H34 Cu N4 O6 -","1","0.5","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.7108","synchrotron","","0.0591","0.0465","","","0.1132","0.1209","","","","","","1.02","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512134","9.8442","0.0011","11.2855","0.0016","7.5036","0.0012","90","","90.709","0.003","90","","833.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","0.5","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.71073","MoKα","","0.132","0.0598","","","0.1119","0.1396","","","","","","0.936","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512135","16.9424","0.0005","7.4436","0.0002","18.1452","0.0006","90","","90","","90","","2288.34","0.12","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","1","","Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.","Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers","Crystal Growth & Design","2014","14","11","5749","","10.1021/cg501004u","","","0.71073","MoKα","","0.0585","0.0363","","","0.0919","0.0996","","","","","","1.017","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512136","7.8167","0.0009","17.061","0.002","14.6908","0.0014","90","","118.911","0.005","90","","1715","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N2 O8 Pb2 -","- C12 H10 Cl2 N2 O8 Pb2 -","- C48 H40 Cl8 N8 O32 Pb8 -","4","1","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.0548","0.0458","","","0.1186","0.1272","","","","","","1.039","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512137","24.542","0.004","12.641","0.002","15.446","0.003","90","","90","","90","","4791.9","1.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H41 Cd2 N7 O18 -","- C39 H40.9 Cd2 N7 O17.9 -","- C156 H163.6 Cd8 N28 O71.6 -","4","0.5","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.079","0.0587","","","0.1642","0.1795","","","","","","1.038","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512138","36.981","0.004","7.9533","0.001","14.8488","0.0019","90","","99.859","0.002","90","","4302.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H41 N6 O22 Pb2 -","- C35 H41 N6 O22 Pb2 -","- C140 H164 N24 O88 Pb8 -","4","0.5","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.0358","0.0317","","","0.0849","0.0879","","","","","","1.036","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512139","37.119","0.004","7.929","0.001","14.9221","0.0017","90","","99.69","0.002","90","","4329.2","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 N3 O11 Pb -","- C18 H21 N3 O11 Pb -","- C144 H168 N24 O88 Pb8 -","8","1","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.038","0.0292","","","0.0622","0.0657","","","","","","1.002","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512140","24.641","0.004","12.468","0.002","15.427","0.002","90","","90","","90","","4739.5","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H86 Cd4 N12 O45 -","- C72 H86 Cd4 N12 O45 -","- C144 H172 Cd8 N24 O90 -","2","0.25","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.0933","0.0532","","","0.1205","0.1409","","","","","","1.037","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512141","8.3104","0.0015","7.6619","0.0014","10.7189","0.0019","90","","94.267","0.003","90","","680.6","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H10 Cd N2 O8 -","- C12 H10 Cd N2 O8 -","- C24 H20 Cd2 N4 O16 -","2","0.5","","Kang, Yi-Fan; Liu, Jian-Qiang; Liu, Bo; Zhang, Wen-Tao; Liu, Qing; Liu, Ping; Wang, Yao-Yu","Series of Cd(II) and Pb(II) Coordination Polymers Based on a Multilinker (R,S-)2,2′-Bipyridine-3,3′-dicarboxylate-1,1′-dioxide","Crystal Growth & Design","2014","14","11","5466","","10.1021/cg5006192","","","0.71073","MoKα","","0.051","0.0363","","","0.099","0.1058","","","","","","1.017","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512142","18.304","0.002","18.304","0.002","22.502","0.006","90","","90","","120","","6529","2","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C22 H25.33 Cu N1.33 O5.33 -","- C22.0033 H25.31 Cu N1.33 O5.33 -","- C264.04 H303.72 Cu12 N15.96 O63.96 -","12","1","","Yakovenko, Andrey A.; Wei, Zhangwen; Wriedt, Mario; Li, Jian-Rong; Halder, Gregory J.; Zhou, Hong-Cai","Study of Guest Molecules in Metal‒Organic Frameworks by Powder X-ray Diffraction: Analysis of Difference Envelope Density","Crystal Growth & Design","2014","14","11","5397","","10.1021/cg500525g","","","0.71073","MoKα","","0.1299","0.085","","","0.1742","0.1975","","","","","","1.024","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512143","10.225","0.0003","11.4024","0.0003","53.2811","0.0014","90","","90","","90","","6212","0.3","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium glicyrrhizinate 3.0 DMF 6.53 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt water/DMF solvate","","- C51 H99.06 N4 O25.53 -","- C51 H98 N4 O25.52 -","- C204 H392 N16 O102.08 -","4","1","","Tykarska, Ewa; Dutkiewicz, Zbigniew; Baranowski, Daniel; Gdaniec, Zofia; Gdaniec, Maria","Effect of Neighbors on the Conformational Preferences of Glycosidic Linkages in Glycyrrhizic Acid and Its Mono- and Dideprotonated Forms: X-ray, NMR, and Computational Studies","Crystal Growth & Design","2014","14","11","5871","","10.1021/cg5010962","","","1.54184","CuKα","","0.0967","0.0951","","","0.2624","0.2639","","","","","","1.078","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512144","8.991","0.002","11.589","0.003","13.497","0.004","92.145","0.006","101.517","0.006","97.816","0.006","1362.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N3 O14 U -","- C26 H17 N3 O14 U -","- C52 H34 N6 O28 U2 -","2","1","","Yang, Weiting; Tian, Wan-Guo; Liu, Xiao-Xiao; Wang, Lei; Sun, Zhong-Ming","Syntheses, Structures, Luminescence, and Photocatalytic Properties of a Series of Uranyl Coordination Polymers","Crystal Growth & Design","2014","14","11","5904","","10.1021/cg501118b","","","0.71073","MoKα","","0.0448","0.037","","","0.0738","0.0778","","","","","","1.027","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512145","12.3655","0.0009","16.4911","0.0012","14.7331","0.001","90","","114.511","0.002","90","","2733.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N4 O12 U -","- C28 H18 N4 O12 U -","- C112 H72 N16 O48 U4 -","4","1","","Yang, Weiting; Tian, Wan-Guo; Liu, Xiao-Xiao; Wang, Lei; Sun, Zhong-Ming","Syntheses, Structures, Luminescence, and Photocatalytic Properties of a Series of Uranyl Coordination Polymers","Crystal Growth & Design","2014","14","11","5904","","10.1021/cg501118b","","","0.71073","MoKα","","0.0694","0.0417","","","0.0798","0.09","","","","","","0.969","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512146","11.0082","0.0007","11.9635","0.0008","12.6607","0.0008","87.187","0.001","64.968","0.001","71.5","0.001","1425.63","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N4 O14 U -","- C26 H22 N4 O14 U -","- C52 H44 N8 O28 U2 -","2","1","","Yang, Weiting; Tian, Wan-Guo; Liu, Xiao-Xiao; Wang, Lei; Sun, Zhong-Ming","Syntheses, Structures, Luminescence, and Photocatalytic Properties of a Series of Uranyl Coordination Polymers","Crystal Growth & Design","2014","14","11","5904","","10.1021/cg501118b","","","0.71073","MoKα","","0.0518","0.0413","","","0.0939","0.0991","","","","","","1.046","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512147","11.408","0.002","32.504","0.006","12.62","0.003","90","","93.819","0.004","90","","4669.2","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H33 N10 O14 U -","- C46 H33 N10 O14 U -","- C184 H132 N40 O56 U4 -","4","1","","Yang, Weiting; Tian, Wan-Guo; Liu, Xiao-Xiao; Wang, Lei; Sun, Zhong-Ming","Syntheses, Structures, Luminescence, and Photocatalytic Properties of a Series of Uranyl Coordination Polymers","Crystal Growth & Design","2014","14","11","5904","","10.1021/cg501118b","","","0.71073","MoKα","","0.0694","0.0453","","","0.1264","0.1416","","","","","","1.018","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512148","15.8932","0.0012","9.6528","0.0007","20.5316","0.0016","90","","99.859","0.002","90","","3103.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O16 U2 -","- C26 H22 N4 O16 U2 -","- C104 H88 N16 O64 U8 -","4","1","","Yang, Weiting; Tian, Wan-Guo; Liu, Xiao-Xiao; Wang, Lei; Sun, Zhong-Ming","Syntheses, Structures, Luminescence, and Photocatalytic Properties of a Series of Uranyl Coordination Polymers","Crystal Growth & Design","2014","14","11","5904","","10.1021/cg501118b","","","0.71073","MoKα","","0.0812","0.0408","","","0.07","0.0834","","","","","","0.972","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512149","30.514","0.002","7.756","0.0006","18.6624","0.0015","90","","105.407","0.002","90","","4258","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 F2 N4 O13 U2 -","- C46 H32 F2 N4 O13 U2 -","- C184 H128 F8 N16 O52 U8 -","4","0.5","","Yang, Weiting; Tian, Wan-Guo; Liu, Xiao-Xiao; Wang, Lei; Sun, Zhong-Ming","Syntheses, Structures, Luminescence, and Photocatalytic Properties of a Series of Uranyl Coordination Polymers","Crystal Growth & Design","2014","14","11","5904","","10.1021/cg501118b","","","0.71073","MoKα","","0.0566","0.0387","","","0.0692","0.0754","","","","","","1.004","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512150","11.0172","0.0011","16.2","0.0017","20.163","0.002","90","","92.525","0.001","90","","3595.2","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cd3 Cl6 N6 -","- C24 H22 Cd3 Cl6 N6 -","- C96 H88 Cd12 Cl24 N24 -","4","1","","Ou, Yan-Jun; Zheng, Zhi-Peng; Hong, Xu-Jia; Wan, Lin-Tao; Wei, Lei-Ming; Lin, Xiao-Ming; Cai, Yue-Peng","CdII-Mediated Efficient Synthesis and Complexation of Asymmetric Tetra-(2-pyridine)-Substituted Imidazolidine","Crystal Growth & Design","2014","14","11","5339","","10.1021/cg500910z","","","0.71073","MoKα","","0.0517","0.0326","","","0.0617","0.0665","","","","","","0.97","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512151","11.0183","0.0008","12.7649","0.0009","21.2456","0.0015","90","","97.561","0.001","90","","2962.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cd2 Cl3 N7 S -","- C25 H22 Cd2 Cl3 N7 S -","- C100 H88 Cd8 Cl12 N28 S4 -","4","1","","Ou, Yan-Jun; Zheng, Zhi-Peng; Hong, Xu-Jia; Wan, Lin-Tao; Wei, Lei-Ming; Lin, Xiao-Ming; Cai, Yue-Peng","CdII-Mediated Efficient Synthesis and Complexation of Asymmetric Tetra-(2-pyridine)-Substituted Imidazolidine","Crystal Growth & Design","2014","14","11","5339","","10.1021/cg500910z","","","0.71073","MoKα","","0.0547","0.0339","","","0.0698","0.0789","","","","","","1.032","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512152","9.6448","0.001","20.427","0.002","32.039","0.003","90","","90.806","0.002","90","","6311.5","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 Cd2 N10 O13 -","- C25 H26 Cd2 N10 O13 -","- C200 H208 Cd16 N80 O104 -","8","1","","Ou, Yan-Jun; Zheng, Zhi-Peng; Hong, Xu-Jia; Wan, Lin-Tao; Wei, Lei-Ming; Lin, Xiao-Ming; Cai, Yue-Peng","CdII-Mediated Efficient Synthesis and Complexation of Asymmetric Tetra-(2-pyridine)-Substituted Imidazolidine","Crystal Growth & Design","2014","14","11","5339","","10.1021/cg500910z","","","0.71073","MoKα","","0.0476","0.0328","","","0.0659","0.0731","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512153","11.945","0.0016","35.741","0.005","9.9283","0.0014","90","","109.203","0.002","90","","4002.8","1","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H82 Eu4 Na10 O80 W8 -","- C4 Eu4 Na6 O76 W8 -","- C8 Eu8 Na12 O152 W16 -","2","0.25","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.0637","0.0533","","","0.1538","0.1619","","","","","","1.1","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512154","11.8885","0.0009","35.367","0.003","9.8398","0.0007","90","","109.194","0.001","90","","3907.3","0.5","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H82 Ho4 Na10 O80 W8 -","- C4 Ho4 Na6 O76 W8 -","- C8 Ho8 Na12 O152 W16 -","2","0.25","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.042","0.0388","","","0.1075","0.1097","","","","","","1.093","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512155","11.9139","0.0005","35.3632","0.0017","9.8539","0.0005","90","","109.172","0.001","90","","3921.3","0.3","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H82 Er4 Na10 O80 W8 -","- C4 Er4 Na6 O76 W8 -","- C8 Er8 Na12 O152 W16 -","2","0.25","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.04","0.0368","","","0.1073","0.1098","","","","","","1.082","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512156","11.9039","0.001","35.504","0.003","9.8808","0.0009","90","","109.218","0.001","90","","3943.3","0.6","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H82 Na10 O80 Tb4 W8 -","- C4 Na6 O76 Tb4 W8 -","- C8 Na12 O152 Tb8 W16 -","2","0.25","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.0561","0.0518","","","0.1386","0.1419","","","","","","1.066","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512157","9.9166","0.0005","19.4656","0.001","19.469","0.001","106.204","0.001","93.064","0.001","95.357","0.001","3580.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H120 Eu4 K4 Na16 O148 W20 -","- C8 Eu4 K4 Na16 O148 W20 -","- C8 Eu4 K4 Na16 O148 W20 -","1","0.5","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.0566","0.0402","","","0.0976","0.1039","","","","","","1.054","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512158","9.9269","0.0014","19.319","0.003","19.35","0.003","106.232","0.002","92.914","0.003","95.152","0.002","3537.4","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H120 Ho4 K4 Na16 O148 W20 -","- C8 Ho4 K4 Na16 O148 W20 -","- C8 Ho4 K4 Na16 O148 W20 -","1","0.5","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.0652","0.0471","","","0.1184","0.1256","","","","","","1.054","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512159","9.898","0.003","19.218","0.005","19.257","0.005","106.25","0.004","92.812","0.005","95.174","0.004","3491.8","1.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H120 Er4 K4 Na16 O148 W20 -","- C8 Er4 K4 Na16 O148 W20 -","- C8 Er4 K4 Na16 O148 W20 -","1","0.5","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.0677","0.0485","","","0.1381","0.1514","","","","","","1.03","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512160","10.015","0.007","19.598","0.013","19.64","0.014","106.185","0.01","92.996","0.011","95.207","0.011","3675","4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H120 K4 Na16 O148 Tb4 W20 -","- C8 K4 Na16 O148 Tb4 W20 -","- C8 K4 Na16 O148 Tb4 W20 -","1","0.5","","Zhao, Junwei; Li, Hailou; Li, Yanzhou; Li, Chunyang; Wang, Zhenling; Chen, Lijuan","Rectangle versus Square Oxalate-Connective Tetralanthanide Cluster Anchored in Lacunary Lindqvist Isopolytungstates: Syntheses, Structures, and Properties","Crystal Growth & Design","2014","14","11","5495","","10.1021/cg500675g","","","0.71073","MoKα","","0.0891","0.0612","","","0.1482","0.1615","","","","","","1.009","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512161","24.6399","0.0015","6.8871","0.0002","21.5833","0.001","90","","118.098","0.006","90","","3231","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 N O14 P4 -","- C30 H33 N O14 P4 -","- C120 H132 N4 O56 P16 -","4","0.5","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.0613","0.0364","","","0.0918","0.1075","","","","","","1.025","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512162","16.8962","0.0008","16.8962","0.0008","7.2119","0.0008","90","","90","","90","","2058.9","0.3","295","2","295","2","","","","","","","","5","I -4","I -4","82","","","","- C45 H40 N4 O12 P4 -","- C45 H40 N4 O12 P4 -","- C90 H80 N8 O24 P8 -","2","0.25","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.1296","0.0577","","","0.0886","0.1164","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512163","28.5639","0.0015","14.5854","0.0005","24.8546","0.001","90","","90.449","0.006","90","","10354.5","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H128 N12 O34 P8 -","- C92 H128 N12 O34 P8 -","- C368 H512 N48 O136 P32 -","4","0.5","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.1349","0.0723","","","0.1337","0.165","","","","","","1.056","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512164","12.4393","0.001","13.0786","0.001","15.4598","0.001","78.48","0.006","69.405","0.007","89.5","0.006","2301.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H130 N8 O33 P8 -","- C74 H112 N8 O33 P8 -","- C74 H112 N8 O33 P8 -","1","0.5","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.1897","0.086","","","0.1016","0.1469","","","","","","1.046","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512165","13.597","0.002","13.866","0.002","15.312","0.003","97.82","0.01","110.2","0.02","108.59","0.01","2467.7","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H57 N4 O14 P4 -","- C37 H53 N4 O14 P4 -","- C74 H106 N8 O28 P8 -","2","1","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.1915","0.0748","","","0.1372","0.1647","","","","","","1.01","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512166","28.4097","0.0013","13.197","0.0003","18.5512","0.0007","90","","123.744","0.006","90","","5783.5","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H148 N16 O41 P8 S5 -","- C84 H120 N16 O41 P8 S5 -","- C168 H240 N32 O82 P16 S10 -","2","0.25","","Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka","Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases","Crystal Growth & Design","2014","14","11","6143","","10.1021/cg501348g","","","0.71073","MoKα","","0.0863","0.0634","","","0.155","0.1729","","","","","","1.006","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512167","45.611","0.001","45.611","0.001","45.611","0.001","90","","90","","90","","94887","4","150","2","150","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","bis(diazabicyclo[2.2.2]octane)silver(I)perrhenate acetonitrile solvate","","- C20 H36 Ag N8 O4 Re -","- C12 H24 Ag N4 Re1.00235 -","- C1632 H3264 Ag136 N544 Re136.32 -","136","0.708333","","Thorp-Greenwood, Flora L.; Kulak, Alexander N.; Hardie, Michaele J.","Three-Dimensional Silver-dabco Coordination Polymers with Zeolitic or Three-Connected Topology","Crystal Growth & Design","2014","14","11","5361","","10.1021/cg501231v","","","0.71073","MoKα","","0.0996","0.0782","","","0.2352","0.2615","","","","","","1.103","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512168","21.585","0.002","13.4043","0.0014","22.089","0.002","90","","110.814","0.003","90","","5974","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(acetonitrile)bis(diazabicyclo[2.2.2]octane)silver(I) cobalticarborane","","- C30 H86 Ag2 B36 Co2 N8 -","- C30 H86 Ag2 B36 Co2 N8 -","- C120 H344 Ag8 B144 Co8 N32 -","4","1","","Thorp-Greenwood, Flora L.; Kulak, Alexander N.; Hardie, Michaele J.","Three-Dimensional Silver-dabco Coordination Polymers with Zeolitic or Three-Connected Topology","Crystal Growth & Design","2014","14","11","5361","","10.1021/cg501231v","","","0.71073","MoKα","","0.1724","0.158","","","0.4439","0.4523","","","","","","1.094","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512169","45.826","0.003","45.826","0.003","45.826","0.003","90","","90","","90","","96236","11","150","2","150","2","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","bis(diazabicyclo[2.2.2]octane)silver(I) tetrafluroborate acetonitrile solvate","","- C22 H41 Ag B F4 N9 O -","- C12 H24 Ag N4 -","- C1632 H3264 Ag136 N544 -","136","0.708333","","Thorp-Greenwood, Flora L.; Kulak, Alexander N.; Hardie, Michaele J.","Three-Dimensional Silver-dabco Coordination Polymers with Zeolitic or Three-Connected Topology","Crystal Growth & Design","2014","14","11","5361","","10.1021/cg501231v","","","0.71073","MoKα","","0.0881","0.0758","","","0.1998","0.2065","","","","","","1.145","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512170","19.4476","0.0007","19.4476","0.0007","24.1299","0.0008","90","","90","","90","","9126.1","0.6","173","2","173","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C20 H14 Cu3 O15.75 -","- C19 H11 Cu3 O16.75 -","- C152 H88 Cu24 O134 -","8","0.5","","Cai, Yang; Kulkarni, Ambarish R.; Huang, You-Gui; Sholl, David S.; Walton, Krista S.","Control of Metal‒Organic Framework Crystal Topology by Ligand Functionalization: Functionalized HKUST-1 Derivatives","Crystal Growth & Design","2014","14","11","6122","","10.1021/cg501285q","","","0.71069","MoKα","","0.1487","0.1147","","","0.3175","0.3555","","","","","","1.242","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512171","15.1342","0.0004","28.3983","0.0007","9.3718","0.0003","90","","90","","90","","4027.86","0.19","90","","90","","","","","","","","","4","P n m a","-P 2ac 2n","62","SCID_90K","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order–Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71073","MoKα","","0.0523","0.041","","","0.1018","0.1094","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512172","15.1497","0.0004","28.4586","0.0008","9.3889","0.0002","90","","90","","90","","4047.92","0.18","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","SCID_120K","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order–Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71073","MoKα","","0.0462","0.0411","","","0.118","0.1229","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512173","15.3","0.0004","28.9002","0.0007","9.3993","0.0002","90","","90","","90","","4156.12","0.17","160","","160","","","","","","","","","4","P n m a","-P 2ac 2n","62","SCID_160K","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order–Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71073","MoKα","","0.0747","0.06","","","0.1649","0.1805","","","","","","1.044","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512174","15.3886","0.0008","29.0676","0.0015","9.421","0.0005","90","","90","","90","","4214.1","0.4","200","","200","","","","","","","","","4","P n m a","-P 2ac 2n","62","SCID_200K","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order–Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71073","MoKα","","0.0841","0.0697","","","0.2047","0.2206","","","","","","1.03","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512175","15.185","0.002","28.522","0.006","9.4017","0.0017","90","","90","","90","","4071.9","1.3","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order–Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71075","MoKα","","0.0551","0.0419","","","0.1014","0.107","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512176","15.292","0.002","28.88","0.005","9.3947","0.0015","90","","90","","90","","4149","1.1","163","2","163","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,3-diethyl-spiro[imidazolidine-2,2'-[2H]indene]-1',3'-dione","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C180 H216 N24 O24 -","12","1.5","","Suzuki, Mitsuaki; Maeda, Yutaka; Akita, Motoko; Teramae, Hiroyuki; Kobayashi, Keiji","Polymorphs Related by an Enantiotropic Phase Transition but Having Only Order–Disorder-Level Conformational Differences in a Spiro-Conjugated Imidazolidine Ring Compound","Crystal Growth & Design","2014","14","12","6302","","10.1021/cg501060w","","","0.71075","MoKα","","0.0739","0.0532","","","0.1304","0.1403","","","","","","1.055","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512177","16.2665","0.0002","16.2665","0.0002","17.0945","0.0005","90","","90","","120","","3917.2","0.13","293","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C36 H72 Br3 Li3 O36 -","- C36 H72 Br3 Li3 O36 -","- C108 H216 Br9 Li9 O108 -","3","1","","Duggirala, Naga Kiran; Smith, Adam J.; Wojtas, Łukasz; Shytle, R. Douglas; Zaworotko, Michael J.","Physical Stability Enhancement and Pharmacokinetics of a Lithium Ionic Cocrystal with Glucose","Crystal Growth & Design","2014","14","11","6135","","10.1021/cg501310d","","","1.54178","CuKα","","0.0366","0.0341","","","0.0771","0.0782","","","","","","1.044","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512178","15.893","0.006","5.1595","0.0019","14.731","0.005","90","","116.161","0.003","90","","1084.2","0.7","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O12 -","- C4 H6 N4 O12 -","- C16 H24 N16 O48 -","4","1","","Manner, Virginia W.; Tappan, Bryce C.; Scott, Brian L.; Preston, Daniel N.; Brown, Geoffrey W.","Crystal Structure, Packing Analysis, and Structural-Sensitivity Correlations of Erythritol Tetranitrate","Crystal Growth & Design","2014","14","11","6154","","10.1021/cg501362b","","","0.71073","MoKα","","0.0426","0.0357","","","0.0965","0.1026","","","","","","1.21","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512179","14.4188","0.0011","9.2474","0.0007","25.0399","0.0018","90","","90","","90","","3338.7","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-pyrazolidineacetic acid, 2-ethyl-5-oxo-α- [[(phenylmethoxy)carbonyl]amino]- methyl ester, (αR,3S)-rel","","- C16 H21 N3 O5 -","- C16 H21 N3 O5 -","- C128 H168 N24 O40 -","8","2","","Lo Presti, Leonardo; Sist, Mattia; Loconte, Laura; Pinto, Andrea; Tamborini, Lucia; Gatti, Carlo","Rationalizing the Lacking of Inversion Symmetry in a Noncentrosymmetric Polar Racemate: An Experimental and Theoretical Study","Crystal Growth & Design","2014","14","11","5822","","10.1021/cg501074x","","","0.71073","MoKα","","0.034","0.02","","","","0.043","0.022","","","","","1.142","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512180","5.10172","0.00016","5.5566","0.00017","22.0587","0.0007","90","","94.731","0.003","90","","623.19","0.03","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","o-fluorophenylboronic acid","2-fluorophenylboronic acid","","- C6 H6 B F O2 -","- C6 H6 B F O2 -","- C24 H24 B4 F4 O8 -","4","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","","1.54184","CuKα","","0.0354","0.0343","","","0.092","0.093","","","","","","1.088","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512181","8.96573","0.00017","4.9573","0.00008","29.717","0.0005","90","","97.5927","0.0016","90","","1309.22","0.04","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","o,m-difluorophenylboronic acid","2,3-difluorophenylboronic acid","","- C6 H5 B F2 O2 -","- C6 H5 B F2 O2 -","- C48 H40 B8 F16 O16 -","8","2","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","","1.54184","CuKα","","0.0327","0.0304","","","0.0826","0.0852","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512182","5.02719","0.00016","5.39423","0.00015","23.2334","0.0007","90","","91.897","0.003","90","","629.69","0.03","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","diorthofluorophenylboronic acid","2,6-difluorophenylboronic acid","","- C6 H5 B F2 O2 -","- C6 H5 B F2 O2 -","- C24 H20 B4 F8 O8 -","4","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","","1.54184","CuKα","","0.0361","0.0324","","","0.0845","0.0875","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512183","4.3762","0.0003","5.0241","0.0003","15.6401","0.0011","96.483","0.006","94.143","0.006","92.835","0.006","340.2","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","o,m,p-trifluorophenylboronic acid","2,3,4-trifluorophenylboronic acid","","- C6 H4 B F3 O2 -","- C6 H4 B F3 O2 -","- C12 H8 B2 F6 O4 -","2","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","","1.54184","CuKα","","0.034","0.0309","","","0.0856","0.0878","","","","","","1.108","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512184","5.00301","0.0001","5.33367","0.0001","24.2178","0.0004","90","","90.2585","0.0017","90","","646.23","0.02","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","o,o,p-trifluorophenylboronic acid","2,4,6-trifluorophenylboronic acid","","- C6 H4 B F3 O2 -","- C6 H4 B F3 O2 -","- C24 H16 B4 F12 O8 -","4","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","","1.54184","CuKα","","0.0286","0.0282","","","0.0785","0.0789","","","","","","1.087","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512185","4.15299","0.00007","5.11382","0.00009","30.7324","0.0005","90","","90.0696","0.0014","90","","652.683","0.019","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,5-difluorophenylboronic acid","","- C6 H5 B F2 O2 -","- C6 H5 B F2 O2 -","- C24 H20 B4 F8 O8 -","4","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","x-ray","1.54184","CuKα","","0.0311","0.0309","","","0.0844","0.0846","","","","","","1.108","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512186","4.9578","0.0004","5.5256","0.0004","23.484","0.002","90","","93.974","0.008","90","","641.79","0.09","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,5-difluorophenylboronic acid","","- C6 H5 B F2 O2 -","- C6 H5 B F2 O2 -","- C24 H20 B4 F8 O8 -","4","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","x-ray","1.54184","CuKα","","0.0503","0.0466","","","0.1364","0.1398","","","","","","1.134","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512187","3.67926","0.00011","12.2868","0.0004","14.3179","0.0004","90","","93.057","0.003","90","","646.34","0.03","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluorophenylboronic acid","","- C6 H5 B F2 O2 -","- C6 H5 B F2 O2 -","- C24 H20 B4 F8 O8 -","4","1","","Madura, Izabela D.; Czerwińska, Karolina; Sołdańska, Dominika","Hydrogen-Bonded Dimeric Synthon of Fluoro-Substituted Phenylboronic Acids versus Supramolecular Organization in Crystals","Crystal Growth & Design","2014","14","11","5912","","10.1021/cg501132d","","x-ray","1.54184","CuKα","","0.0412","0.0357","","","0.0914","0.0948","","","","","","1.086","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512188","13.5883","0.0009","13.5883","0.0009","17.9216","0.0014","90","","90","","90","","3309.1","0.4","293","2","293","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C28 H20 Br2 Cu5 N16 O4 P -","- C28 H20 Br2 Cu5 N16 O4 P -","- C112 H80 Br8 Cu20 N64 O16 P4 -","4","0.25","","Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming","Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks","Crystal Growth & Design","2014","14","11","5773","","10.1021/cg5010402","","","0.71073","MoKα","","0.0785","0.0608","","","0.169","0.1827","","","","","","1.072","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512189","10.4861","0.0005","13.2319","0.0005","13.5177","0.0006","99.295","0.003","95.298","0.004","93.921","0.003","1836.43","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Cu4 Mo2 N16 O11 -","- C28 H22 Cu4 Mo2 N16 O11 -","- C56 H44 Cu8 Mo4 N32 O22 -","2","1","","Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming","Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks","Crystal Growth & Design","2014","14","11","5773","","10.1021/cg5010402","","","0.71073","MoKα","","0.0762","0.0491","","","0.101","0.1166","","","","","","1.016","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512190","5.129","0.0003","9.7697","0.0008","12.5421","0.0011","110.797","0.008","93.722","0.006","90.436","0.006","585.97","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H6 Cu Mo2 N4 O7 -","- C7 H6 Cu Mo2 N4 O7 -","- C14 H12 Cu2 Mo4 N8 O14 -","2","1","","Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming","Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks","Crystal Growth & Design","2014","14","11","5773","","10.1021/cg5010402","","","0.71073","MoKα","","0.0456","0.0363","","","0.0822","0.0893","","","","","","1.035","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512191","22.687","0.0018","14.7113","0.0008","13.6766","0.001","90","","113.038","0.008","90","","4200.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Cu2 Mo3 N8 O10 -","- C14 H10 Cu2 Mo3 N8 O10 -","- C112 H80 Cu16 Mo24 N64 O80 -","8","1","","Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming","Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks","Crystal Growth & Design","2014","14","11","5773","","10.1021/cg5010402","","","0.71073","MoKα","","0.1029","0.0534","","","0.0789","0.0959","","","","","","1.002","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512192","17.7586","0.0005","17.7586","0.0005","19.6912","0.0006","90","","90","","120","","5378","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H30 Cu6 Mo12 N24 O40 P -","- C42 H30 Cu6 Mo12 N24 O40 P -","- C126 H90 Cu18 Mo36 N72 O120 P3 -","3","0.166667","","Qi, Zhi-Kai; Liu, Jun-Liang; Hou, Juan-Juan; Liu, Min-Min; Zhang, Xian-Ming","Planar Cu2(ppz)2Dimers as SBUs for Diverse Polyoxometalate-Based Metal Organic Frameworks","Crystal Growth & Design","2014","14","11","5773","","10.1021/cg5010402","","","0.71073","MoKα","","0.0361","0.0316","","","0.0745","0.0763","","","","","","1.152","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512193","14.1567","0.0004","7.4304","0.0002","8.4823","0.0003","90","","90","","90","","892.25","0.05","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H6 Br2 O -","- C9 H6 Br2 O -","- C36 H24 Br8 O4 -","4","0.5","","Pavan, Mysore Srinivas; Pal, Rumpa; Nagarajan, K.; Guru Row, Tayur N.","Characterization of Interactions Involving Bromine in 2,2-Dibromo-2,3-dihydroinden-1-one via Experimental Charge Density Analysis","Crystal Growth & Design","2014","14","11","5477","","10.1021/cg500659c","","","0.71073","MoKα","","0.0512","0.0265","","","0.0511","0.0582","","","","","","1.042","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512198","9.6487","0.0015","16.249","0.003","14.644","0.002","90","","101.272","0.002","90","","2251.6","0.6","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C13 H9 Mn N2 O15 P3 U2 -","- C13 H9 Mn N2 O15 P3 U2 -","- C52 H36 Mn4 N8 O60 P12 U8 -","4","1","","Adelani, Pius O.; Cook, Nathaniel D.; Burns, Peter C.","Use of 2,2-Bipyrimidine for the Preparation of UO22±3d Diphosphonates","Crystal Growth & Design","2014","14","11","5692","","10.1021/cg500972w","","","0.71073","MoKα","","0.0334","0.0227","","","0.0549","0.0595","","","","","","1.182","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512199","9.961","0.003","11.128","0.003","14.199","0.004","107.204","0.004","90.137","0.004","115.826","0.004","1337.5","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24 N8 Ni2 O32 P6 U3 -","- C34 H24 N8 Ni2 O32 P6 U3 -","- C34 H24 N8 Ni2 O32 P6 U3 -","1","0.5","","Adelani, Pius O.; Cook, Nathaniel D.; Burns, Peter C.","Use of 2,2-Bipyrimidine for the Preparation of UO22±3d Diphosphonates","Crystal Growth & Design","2014","14","11","5692","","10.1021/cg500972w","","","0.71073","MoKα","","0.0849","0.0504","","","0.0922","0.1053","","","","","","0.986","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512200","9.647","0.003","10.238","0.003","12.115","0.004","74.141","0.015","77.673","0.015","69.499","0.014","1068.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H9 N2 O11 P3 U Zn -","- C13 H9 N2 O11 P3 U Zn -","- C26 H18 N4 O22 P6 U2 Zn2 -","2","1","","Adelani, Pius O.; Cook, Nathaniel D.; Burns, Peter C.","Use of 2,2-Bipyrimidine for the Preparation of UO22±3d Diphosphonates","Crystal Growth & Design","2014","14","11","5692","","10.1021/cg500972w","","","0.71073","MoKα","","0.0485","0.0378","","","0.0786","0.0838","","","","","","1.051","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512201","7.3706","0.0002","19.8583","0.0005","13.9888","0.0003","90","","90.619","0.002","90","","2047.39","0.09","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","estra-1,3,5(10)-triene-3,17-diol(17?)-17-pentanoate","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","2","","Ellena, Javier; de Paula, Karina; de Melo, Cristiane C.; da Silva, Cecília C. P.; Bezerra, Beatriz P.; Venâncio, Tiago; Ayala, Alejandro P.","Temperature-Driven Isosymmetric Reversible Phase Transition of the Hormone Estradiol 17β Valerate","Crystal Growth & Design","2014","14","11","5700","","10.1021/cg500974r","","x-ray","1.54178","CuKα","","0.069","0.0573","","","0.1552","0.1649","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512202","7.5539","0.0012","18.667","0.003","14.092","0.002","90","","90.402","0.008","90","","1987","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","estra-1,3,5(10)-triene-3,17-diol(17?)-17-pentanoate","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","2","","Ellena, Javier; de Paula, Karina; de Melo, Cristiane C.; da Silva, Cecília C. P.; Bezerra, Beatriz P.; Venâncio, Tiago; Ayala, Alejandro P.","Temperature-Driven Isosymmetric Reversible Phase Transition of the Hormone Estradiol 17β Valerate","Crystal Growth & Design","2014","14","11","5700","","10.1021/cg500974r","","","1.54178","CuKα","","0.0421","0.0381","","","","0.1046","","","","","","1.142","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512203","7.9822","0.0003","14.5859","0.0005","6.6663","0.0003","90","","110.126","0.005","90","","728.75","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methyl-N-2-nitrophenylaniline","","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Gajda, Katarzyna; Daszkiewicz, Zdzisław; Kozubek, Ewelina; Ejsmont, Krzysztof; Zarychta, Bartosz","Theoretical Multipolar Atom Model Transfer in Nitro-Derivatives ofN-Methylaniline","Crystal Growth & Design","2014","14","11","5737","","10.1021/cg500984p","","","0.71073","MoKα","","0.0376","0.0314","","","0.0891","0.0915","","","","","","1.094","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512204","6.9742","0.0007","12.7802","0.0013","8.293","0.0008","90","","104.76","0.01","90","","714.78","0.13","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methyl-N-3-nitrophenylaniline","","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Gajda, Katarzyna; Daszkiewicz, Zdzisław; Kozubek, Ewelina; Ejsmont, Krzysztof; Zarychta, Bartosz","Theoretical Multipolar Atom Model Transfer in Nitro-Derivatives ofN-Methylaniline","Crystal Growth & Design","2014","14","11","5737","","10.1021/cg500984p","","","0.71073","MoKα","","0.0781","0.039","","","0.0859","0.0943","","","","","","0.856","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512205","9.9223","0.0008","6.8557","0.0005","10.7606","0.0009","90","","103.304","0.008","90","","712.34","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-methyl-N-3-nitrophenylaniline","","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Gajda, Katarzyna; Daszkiewicz, Zdzisław; Kozubek, Ewelina; Ejsmont, Krzysztof; Zarychta, Bartosz","Theoretical Multipolar Atom Model Transfer in Nitro-Derivatives ofN-Methylaniline","Crystal Growth & Design","2014","14","11","5737","","10.1021/cg500984p","","","0.71073","MoKα","","0.0609","0.0325","","","0.0723","0.0788","","","","","","0.857","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512206","18.1041","0.0002","18.1041","0.0002","16.4374","0.0005","90","","90","","90","","5387.5","0.18","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C40 H40 Cl N6 Nd O10 -","- C40 H40 Cl N6 Nd O10 -","- C160 H160 Cl4 N24 Nd4 O40 -","4","0.5","","Sun, Jing-Wen; Zhu, Jing; Song, Hui-Feng; Li, Guang-Ming; Yao, Xu; Yan, Peng-Fei","Spontaneous Resolution of Racemic Salen-Type Ligand in the Construction of 3D Homochiral Lanthanide Frameworks","Crystal Growth & Design","2014","14","11","5356","","10.1021/cg501211f","","","0.71073","MoKα","","0.0506","0.0411","","","0.1186","0.1245","","","","","","1.096","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512207","18.1798","0.0002","18.1798","0.0002","16.4174","0.0003","90","","90","","90","","5426.03","0.13","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C40 H40 Cl La N6 O10 -","- C40 H40 Cl La N6 O10 -","- C160 H160 Cl4 La4 N24 O40 -","4","0.5","","Sun, Jing-Wen; Zhu, Jing; Song, Hui-Feng; Li, Guang-Ming; Yao, Xu; Yan, Peng-Fei","Spontaneous Resolution of Racemic Salen-Type Ligand in the Construction of 3D Homochiral Lanthanide Frameworks","Crystal Growth & Design","2014","14","11","5356","","10.1021/cg501211f","","","0.71073","MoKα","","0.0591","0.0457","","","0.1151","0.1222","","","","","","1.061","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512208","18.216","0.003","18.216","0.003","16.483","0.003","90","","90","","90","","5469.4","1.6","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C40 H44 Ce Cl N6 O10 -","- C40 H44 Ce Cl N6 O10 -","- C160 H176 Ce4 Cl4 N24 O40 -","4","0.5","","Sun, Jing-Wen; Zhu, Jing; Song, Hui-Feng; Li, Guang-Ming; Yao, Xu; Yan, Peng-Fei","Spontaneous Resolution of Racemic Salen-Type Ligand in the Construction of 3D Homochiral Lanthanide Frameworks","Crystal Growth & Design","2014","14","11","5356","","10.1021/cg501211f","","","0.71073","MoKα","","0.0669","0.048","","","0.1111","0.1173","","","","","","1.031","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512213","7.4379","0.0005","14.7017","0.0012","25.1694","0.001","88.492","0.005","87.735","0.004","89.118","0.006","2748.9","0.3","133","4","133","4","","","","","","","","5","P -1","-P 1","2","","","","- C60 H59 N7 O14 Zn2 -","- C60 H59 N7 O14 Zn2 -","- C120 H118 N14 O28 Zn4 -","2","1","","Chen, Di-ming; Zhang, Xiao-ping; Shi, Wei; Cheng, Peng","Tuning Two-Dimensional Layer to Three-Dimensional Pillar-Layered Metal‒Organic Frameworks: Polycatenation and Interpenetration Behaviors","Crystal Growth & Design","2014","14","12","6261","","10.1021/cg500942g","","","0.71073","MoKα","","0.1405","0.1095","","","0.2399","0.2571","","","","","","1.111","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512214","25.124","0.0012","17.0584","0.0005","30.6102","0.0013","90","","113.725","0.005","90","","12010.1","1","129.9","0.14","129.9","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N6 O10 Zn2 -","- C62 H48 N6 O10 Zn2 -","- C496 H384 N48 O80 Zn16 -","8","1","","Chen, Di-ming; Zhang, Xiao-ping; Shi, Wei; Cheng, Peng","Tuning Two-Dimensional Layer to Three-Dimensional Pillar-Layered Metal‒Organic Frameworks: Polycatenation and Interpenetration Behaviors","Crystal Growth & Design","2014","14","12","6261","","10.1021/cg500942g","","","0.71073","MoKα","","0.0844","0.0603","","","0.1589","0.171","","","","","","1.066","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512215","11.4424","0.0005","15.1352","0.0008","15.2141","0.0009","112.002","0.005","96.433","0.004","98.574","0.004","2374.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H31 N5 O5 Zn -","- C38 H31 N5 O5 Zn -","- C76 H62 N10 O10 Zn2 -","2","1","","Chen, Di-ming; Zhang, Xiao-ping; Shi, Wei; Cheng, Peng","Tuning Two-Dimensional Layer to Three-Dimensional Pillar-Layered Metal‒Organic Frameworks: Polycatenation and Interpenetration Behaviors","Crystal Growth & Design","2014","14","12","6261","","10.1021/cg500942g","","","0.71073","MoKα","","0.0751","0.0585","","","0.1466","0.1568","","","","","","0.974","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512216","10.4498","0.0008","27.907","0.002","13.7828","0.0011","90","","107.875","0.002","90","","3825.4","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cu3 N6 O7 -","- C23 H17 Cu3 N6 O7 -","- C92 H68 Cu12 N24 O28 -","4","1","","Bala, Sukhen; Bhattacharya, Sudeshna; Goswami, Arijit; Adhikary, Amit; Konar, Sanjit; Mondal, Raju","Designing Functional Metal‒Organic Frameworks by Imparting a Hexanuclear Copper-Based Secondary Building Unit Specific Properties: Structural Correlation With Magnetic and Photocatalytic Activity","Crystal Growth & Design","2014","14","12","6391","","10.1021/cg501226v","","","0.71073","MoKα","","0.1515","0.0843","","","0.2191","0.2406","","","","","","1.128","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512217","28.409","0.0008","28.409","0.0008","18.2259","0.0011","90","","90","","120","","12738.9","0.9","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H20 Cu3 N7 O8 -","- C17 H12 Cu3 N7 O8 -","- C306 H216 Cu54 N126 O144 -","18","1","","Bala, Sukhen; Bhattacharya, Sudeshna; Goswami, Arijit; Adhikary, Amit; Konar, Sanjit; Mondal, Raju","Designing Functional Metal‒Organic Frameworks by Imparting a Hexanuclear Copper-Based Secondary Building Unit Specific Properties: Structural Correlation With Magnetic and Photocatalytic Activity","Crystal Growth & Design","2014","14","12","6391","","10.1021/cg501226v","","","0.71073","MoKα","","0.1145","0.0675","","","0.1813","0.2054","","","","","","1.113","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512218","10.1258","0.0011","23.35","0.003","12.4335","0.0014","90","","109.325","0.004","90","","2774.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Cu6 N14 O16 -","- C50 H44 Cu6 N14 O16 -","- C100 H88 Cu12 N28 O32 -","2","0.5","","Bala, Sukhen; Bhattacharya, Sudeshna; Goswami, Arijit; Adhikary, Amit; Konar, Sanjit; Mondal, Raju","Designing Functional Metal‒Organic Frameworks by Imparting a Hexanuclear Copper-Based Secondary Building Unit Specific Properties: Structural Correlation With Magnetic and Photocatalytic Activity","Crystal Growth & Design","2014","14","12","6391","","10.1021/cg501226v","","","0.71073","MoKα","","0.1897","0.0746","","","0.1702","0.223","","","","","","0.981","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512219","17.966","0.005","27.989","0.005","14.141","0.005","90","0.005","92.381","0.005","90","0.005","7105","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H53 Mn2 N16 O16 -","- C72 H53 Mn2 N16 O16 -","- C288 H212 Mn8 N64 O64 -","4","0.5","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.1219","0.0789","","","0.1986","0.236","","","","","","1.036","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512220","17.107","0.005","17.107","0.005","14.133","0.005","90","0.005","90","0.005","120","0.005","3582","2","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Mn2 N12 O10 -","- C63 H39 Cl0.99 Mn2 N12 O9.96 -","- C126 H78 Cl1.98 Mn4 N24 O19.92 -","2","0.166667","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.1095","0.0897","","","0.2368","0.2519","","","","","","1.078","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512221","17.246","0.005","17.246","0.005","14.135","0.005","90","0.005","90","0.005","120","0.005","3641","2","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Mn2 N12 O6 -","- C63 H39 Cl Mn2 N12 O6 -","- C126 H78 Cl2 Mn4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.1791","0.1038","","","0.2486","0.2827","","","","","","1.065","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512222","17.485","0.005","17.485","0.005","14.019","0.005","90","0.005","90","0.005","120","0.005","3712","2","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Mn2 N13 O9 -","- C63 H39 Mn2 N13 O9 -","- C126 H78 Mn4 N26 O18 -","2","0.166667","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.0985","0.0597","","","0.1316","0.1466","","","","","","1.098","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512223","17.203","0.005","17.203","0.005","14.045","0.005","90","0.005","90","0.005","120","0.005","3600","2","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C72 H57 Mn2 N13 O15 -","- C72 H57 Mn2 N13 O15 -","- C144 H114 Mn4 N26 O30 -","2","0.166667","","Agarwal, Rashmi A.; Mukherjee, Soumya; Sañudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer","Crystal Growth & Design","2014","14","11","5585","","10.1021/cg500833s","","","0.71073","MoKα","","0.106","0.0669","","","0.1608","0.1815","","","","","","1.068","","","","has coordinates","288644","2024-01-03","14:50:32",""
"4512226","11.27","0.003","15.803","0.002","16.274","0.003","90","","97.169","0.012","90","","2875.7","1","100","2","99.99","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C47 H24 Br2 N2 O8 Zn2 -","- C47 H24 Br2 N2 O8 Zn2 -","- C47 H24 Br2 N2 O8 Zn2 -","1","0.25","","Madrahimov, Sherzod T.; Atesin, Tulay A.; Karagiaridi, Olga; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Metal‒Organic Frameworks Containing (Alkynyl)Gold Functionalities: A Comparative Evaluation of Solvent-Assisted Linker Exchange,de NovoSynthesis, and Post-synthesis Modification","Crystal Growth & Design","2014","14","12","6320","","10.1021/cg501066s","","","1.54178","CuKα","","0.1097","0.0807","","","0.2383","0.2556","","","","","","1.05","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512227","9.44471","0.00017","10.38896","0.00019","15.6489","0.0003","77.4892","0.0015","72.8378","0.0016","77.6285","0.0016","1413.55","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H62 N4 O36 -","- C50 H62 N4 O36 -","- C50 H62 N4 O36 -","1","1","","Chen, Jia-Mei; Li, Song; Lu, Tong-Bu","Pharmaceutical Cocrystals of Ribavirin with Reduced Release Rates","Crystal Growth & Design","2014","14","12","6399","","10.1021/cg501247x","","","1.54178","CuKα","","0.0398","0.0389","","","0.1074","0.1085","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512228","11.0567","0.0002","7.1057","0.0001","11.4404","0.0002","90","","96.913","0.002","90","","892.29","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N4 O11 -","- C15 H20 N4 O11 -","- C30 H40 N8 O22 -","2","1","","Chen, Jia-Mei; Li, Song; Lu, Tong-Bu","Pharmaceutical Cocrystals of Ribavirin with Reduced Release Rates","Crystal Growth & Design","2014","14","12","6399","","10.1021/cg501247x","","","1.54178","CuKα","","0.0258","0.0241","","","0.0598","0.0612","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512229","34.8962","0.0007","8.12494","0.00016","4.91985","0.00011","90","","90.939","0.002","90","","1394.74","0.05","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10 H16 N5 O7.5 -","- C10 H16 N5 O7.5 -","- C40 H64 N20 O30 -","4","1","","Chen, Jia-Mei; Li, Song; Lu, Tong-Bu","Pharmaceutical Cocrystals of Ribavirin with Reduced Release Rates","Crystal Growth & Design","2014","14","12","6399","","10.1021/cg501247x","","","1.54178","CuKα","","0.031","0.0291","","","0.0718","0.0733","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512230","15.5935","0.0009","20.9498","0.0013","24.3944","0.0014","90","","90","","90","","7969.2","0.8","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H92 Cl4 Cu4 N12 O32 -","- C66 H92 Cl4 Cu4 N12 O32 -","- C264 H368 Cl16 Cu16 N48 O128 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Effect of Spacer Atoms in the Dicarboxylate Linkers on the Formation of Coordination Architectures—Molecular Rectangles vs 1D Coordination Polymers: Synthesis, Crystal Structures, Vapor/Gas Adsorption Studies, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6433","","10.1021/cg501284y","","","0.71073","MoKα","","0.173","0.0733","","","0.1581","0.1924","","","","","","1.034","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512231","8.5695","0.0008","11.3027","0.001","21.867","0.002","90","","92.817","0.006","90","","2115.4","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H43 Cl2 Cu2 N7 O15 -","- C34 H41 Cl2 Cu2 N7 O15 -","- C68 H82 Cl4 Cu4 N14 O30 -","2","1","","Khullar, Sadhika; Mandal, Sanjay K.","Effect of Spacer Atoms in the Dicarboxylate Linkers on the Formation of Coordination Architectures—Molecular Rectangles vs 1D Coordination Polymers: Synthesis, Crystal Structures, Vapor/Gas Adsorption Studies, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6433","","10.1021/cg501284y","","","0.71073","MoKα","","0.0695","0.0596","","","0.1635","0.1732","","","","","","1.045","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512232","15.6239","0.0016","20.84","0.002","24.643","0.003","90","","90","","90","","8023.8","1.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C64 H88 Cl4 Cu4 N12 O32 S2 -","- C64 H80 Cl4 Cu4 N12 O32 S2 -","- C256 H320 Cl16 Cu16 N48 O128 S8 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Effect of Spacer Atoms in the Dicarboxylate Linkers on the Formation of Coordination Architectures—Molecular Rectangles vs 1D Coordination Polymers: Synthesis, Crystal Structures, Vapor/Gas Adsorption Studies, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6433","","10.1021/cg501284y","","","0.71073","MoKα","","0.1514","0.0971","","","0.2443","0.2725","","","","","","1.103","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512233","4.2208","0.0002","14.6043","0.0006","14.923","0.0005","90","","92.303","0.003","90","","919.14","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 I2 O2 -","- C7 H4 I2 O2 -","- C28 H16 I8 O8 -","4","1","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0383","0.0309","","","0.0691","0.0726","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512234","13.8531","0.0003","13.3127","0.0002","17.1303","0.0004","90","","94.337","0.002","90","","3150.16","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I4 N4 O4 Zn -","- C28 H20 I4 N4 O4 Zn -","- C112 H80 I16 N16 O16 Zn4 -","4","1","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.061","0.0423","","","0.0999","0.1079","","","","","","1.024","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512235","21.9682","0.0019","17.0815","0.001","20.2564","0.0011","90","","109.231","0.007","90","","7177","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H32 I12 N2 O12 Zn3 -","- C55 H32 I12 N2 O12 Zn3 -","- C220 H128 I48 N8 O48 Zn12 -","4","1","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.1596","0.0815","","","0.1657","0.1981","","","","","","1.06","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512236","16.7029","0.0006","19.4272","0.0006","26.6145","0.0014","90","","100.149","0.004","90","","8501","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H46 Cd3 I12 N4 O12 -","- C68 H46 Cd3 I12 N4 O12 -","- C272 H184 Cd12 I48 N16 O48 -","4","0.5","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0823","0.0567","","","0.1369","0.1508","","","","","","1.027","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512237","10.513","0.0005","12.1087","0.0006","14.1519","0.0006","68.007","0.005","69.464","0.004","69.909","0.005","1516.87","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 I4 N2 Ni O5 -","- C26 H18 I4 N2 Ni O5 -","- C52 H36 I8 N4 Ni2 O10 -","2","1","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0611","0.0413","","","0.072","0.0792","","","","","","1.037","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512238","13.7231","0.0003","13.4488","0.0002","17.1059","0.0003","90","","93.814","0.002","90","","3150.06","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Co I4 N4 O4 -","- C28 H20 Co I4 N4 O4 -","- C112 H80 Co4 I16 N16 O16 -","4","1","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0557","0.0432","","","0.1031","0.1089","","","","","","1.024","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512239","8.8418","0.0004","12.4503","0.0007","15.9648","0.0007","68.773","0.005","81.465","0.004","89.139","0.004","1618.65","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H26 Co3 I12 N2 O12 -","- C52 H26 Co3 I12 N2 O12 -","- C52 H26 Co3 I12 N2 O12 -","1","0.5","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0718","0.0568","","","0.1142","0.1214","","","","","","1.04","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512240","9.4905","0.0005","13.552","0.0007","14.2344","0.001","71.94","0.005","79.842","0.005","86.614","0.004","1713.26","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H28 I12 Mn3 N2 O12 -","- C54 H28 I12 Mn3 N2 O12 -","- C54 H28 I12 Mn3 N2 O12 -","1","0.5","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0738","0.055","","","0.1163","0.1256","","","","","","1.013","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512241","9.475","0.0006","12.2744","0.0008","16.166","0.0011","100.453","0.006","96.867","0.006","108.149","0.006","1725.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H32 I12 Mn3 N4 O12 -","- C52 H32 I12 Mn3 N4 O12 -","- C52 H32 I12 Mn3 N4 O12 -","1","0.5","","Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya","Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid","Crystal Growth & Design","2014","14","12","6325","","10.1021/cg501073e","","","0.71073","MoKα","","0.0647","0.0466","","","0.126","0.1378","","","","","","1.039","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512243","26.1934","0.001","26.1934","0.001","9.3978","0.0008","90","","90","","120","","5583.9","0.6","120","1","120","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C20 H12 Au2 Fe N8 O -","- C20 H8 Au2 Fe N8 O -","- C180 H72 Au18 Fe9 N72 O9 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.0566","0.0455","","","0.1289","0.1396","","","","","","1.005","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512244","26.2003","0.0008","26.2003","0.0008","9.8014","0.0003","90","","90","","120","","5826.8","0.3","120","1","120","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C20 H12 Ag2 Fe N8 S -","- C20 H8 Ag2 Fe N8 S -","- C180 H72 Ag18 Fe9 N72 S9 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71073","MoKα","","0.0992","0.0813","","","0.2283","0.2534","","","","","","1.04","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512245","26.901","0.0014","26.901","0.0014","9.7742","0.0008","90","","90","","120","","6125.6","0.7","300","1","300","1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24 H18 Au2 Fe N10 -","- C24 H16 Au2 Fe N10 -","- C216 H144 Au18 Fe9 N90 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.0572","0.0405","","","0.1067","0.1198","","","","","","0.968","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512246","26.852","0.002","26.852","0.002","9.6735","0.0013","90","","90","","120","","6040.4","1","300","1","300","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C20 H12 Au2 Fe N8 O -","- C20 H8 Au2 Fe N8 O2 -","- C180 H72 Au18 Fe9 N72 O18 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.1567","0.0926","","","0.2004","0.2477","","","","","","1.049","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512247","26.8078","0.0012","26.8078","0.0012","9.9406","0.0006","90","","90","","120","","6186.8","0.5","300","1","300","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C18 H10 Au2 Fe N8 S0.5 -","- C18 H8 Au2 Fe N8 S0.5 -","- C162 H72 Au18 Fe9 N72 S4.5 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.1097","0.0705","","","0.185","0.214","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512248","26.2174","0.0012","26.2174","0.0012","9.5734","0.0005","90","","90","","120","","5698.7","0.5","120","1","120","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C18 H10 Ag2 Fe N8 O0.5 -","- C18 H8 Ag2 Fe N8 O0.5 -","- C162 H72 Ag18 Fe9 N72 O4.5 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.0756","0.06","","","0.1713","0.1933","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512249","26.459","0.001","26.459","0.001","9.5783","0.0005","90","","90","","120","","5807.2","0.4","120","1","120","1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24 H18 Au2 Fe N10 -","- C24 H16 Au2 Fe N10 -","- C216 H144 Au18 Fe9 N90 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71073","MoKα","","0.0689","0.0518","","","0.1195","0.1314","","","","","","1.062","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512250","26.8824","0.001","26.8824","0.001","10.2072","0.0005","90","","90","","120","","6388.1","0.5","300","1","300","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C20 H12 Ag2 Fe N8 S -","- C20 H8 Ag2 Fe N8 S -","- C180 H72 Ag18 Fe9 N72 S9 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.1062","0.0785","","","0.2108","0.2444","","","","","","1.154","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512251","26.4013","0.0009","26.4013","0.0009","9.6662","0.0007","90","","90","","120","","5834.9","0.5","120","1","120","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C18 H10 Au2 Fe N8 S0.5 -","- C18 H8 Au2 Fe N8 S -","- C162 H72 Au18 Fe9 N72 S9 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.1427","0.0864","","","0.2089","0.2535","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512252","26.8761","0.0008","26.8761","0.0008","10.0456","0.0004","90","","90","","120","","6284","0.4","300","1","300","1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C18 H10 Ag2 Fe N8 O0.5 -","- C18 H8 Ag2 Fe N8 O0.5 -","- C162 H72 Ag18 Fe9 N72 O4.5 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.0793","0.056","","","0.1655","0.1914","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512253","26.8913","0.0012","26.8913","0.0012","10.0069","0.0007","90","","90","","120","","6266.9","0.6","300","1","300","1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H15.5 Ag2 Fe N9.5 -","- C22 H14 Ag2 Fe N9.5 -","- C198 H126 Ag18 Fe9 N85.5 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71073","MoKα","","0.0934","0.0654","","","0.2118","0.238","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512254","26.2525","0.0009","26.2525","0.0009","9.6515","0.0004","90","","90","","120","","5760.6","0.4","120","1","120","1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H15.5 Ag2 Fe N9.5 -","- C22 H14 Ag2 Fe N9.5 -","- C198 H126 Ag18 Fe9 N85.5 -","9","0.25","","Piñeiro-López, Lucía; Arcís-Castillo, Zulema; Muñoz, M. Carmen; Real, José A.","Clathration of Five-Membered Aromatic Rings in the Bimetallic Spin Crossover Metal‒Organic Framework [Fe(TPT)2/3{MI(CN)2}2]·G (MI= Ag, Au)","Crystal Growth & Design","2014","14","12","6311","","10.1021/cg5010616","","","0.71069","MoKα","","0.0552","0.0475","","","0.1357","0.1436","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512255","9.38","0.03","16.81","0.04","11.48","0.03","90","","100.426","0.016","90","","1780","8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H46 N8 O16 Zn2 -","- C26 H34 N8 O16 Zn2 -","- C52 H68 N16 O32 Zn4 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Sun, Zhihao; Wang, Yanlong; Hu, Shengmin; Huang, Yihui; Li, Jie; Wu, Xintao","Homochiral Layered Coordination Polymers from ChiralN-Carbamylglutamate and Achiral Flexible Bis(pyridine) Ligands: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","12","6230","","10.1021/cg501398c","","","0.71073","MoKα","","0.0536","0.0434","","","0.1074","0.1379","","","","","","1.049","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512256","7.584","0.003","15.434","0.006","9.559","0.004","90","","98.887","0.006","90","","1105.5","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 N4 O8 Zn -","- C18 H20 N4 O8 Zn -","- C36 H40 N8 O16 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Sun, Zhihao; Wang, Yanlong; Hu, Shengmin; Huang, Yihui; Li, Jie; Wu, Xintao","Homochiral Layered Coordination Polymers from ChiralN-Carbamylglutamate and Achiral Flexible Bis(pyridine) Ligands: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","12","6230","","10.1021/cg501398c","","","0.71073","MoKα","","0.0523","0.0418","","","0.0867","0.0933","","","","","","0.999","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512257","9.483","0.003","17.454","0.006","13.003","0.004","90","","99.291","0.005","90","","2124","1.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H22 N4.5 Na0.5 O7.5 Zn -","- C18 H20 N4.5 Na0.5 O7.5 Zn -","- C72 H80 N18 Na2 O30 Zn4 -","4","2","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Sun, Zhihao; Wang, Yanlong; Hu, Shengmin; Huang, Yihui; Li, Jie; Wu, Xintao","Homochiral Layered Coordination Polymers from ChiralN-Carbamylglutamate and Achiral Flexible Bis(pyridine) Ligands: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","12","6230","","10.1021/cg501398c","","","0.71073","MoKα","","0.0732","0.0478","","","0.0963","0.1089","","","","","","0.998","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512258","9.756","0.002","10.346","0.003","11.822","0.003","86.418","0.005","86.785","0.006","87.184","0.005","1187.8","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H29 N4 O8.5 Zn -","- C19 H22 N4 O8.5 Zn -","- C38 H44 N8 O17 Zn2 -","2","2","","Wen, Yuehong; Sheng, Tianlu; Xue, Zhenzhen; Sun, Zhihao; Wang, Yanlong; Hu, Shengmin; Huang, Yihui; Li, Jie; Wu, Xintao","Homochiral Layered Coordination Polymers from ChiralN-Carbamylglutamate and Achiral Flexible Bis(pyridine) Ligands: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","12","6230","","10.1021/cg501398c","","","0.71073","MoKα","","0.0441","0.0397","","","0.1049","0.1079","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512259","10.4808","0.0007","12.8829","0.0012","20.7792","0.0014","90","","90","","90","","2805.7","0.4","293","2","293","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C7 H7 Ag2 I3 N2 -","- C7 H4 Ag2 I3 N -","- C56 H32 Ag16 I24 N8 -","8","0.5","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0751","0.0644","","","0.1399","0.1452","","","","","","1.214","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512260","12.7674","0.0011","10.978","0.0007","21.5301","0.0018","90","","93.889","0.007","90","","3010.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Ag2 I3 N2 -","- C10 H4 Ag2 I3 -","- C80 H32 Ag16 I24 -","8","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0778","0.0483","","","0.087","0.1017","","","","","","1.068","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512261","12.693","0.0005","10.8055","0.0005","21.1046","0.0009","90","","93.496","0.004","90","","2889.2","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Ag2 I3 N2 -","- C10 H4 Ag2 I3 -","- C80 H32 Ag16 I24 -","8","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0542","0.0492","","","0.1019","0.1037","","","","","","1.222","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512262","12.0078","0.0003","12.0175","0.0004","22.5442","0.0006","90","","90","","90","","3253.21","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Ag4 I6 N4 -","- C18 H22 Ag4 I6 N4 -","- C72 H88 Ag16 I24 N16 -","4","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0485","0.0372","","","0.0675","0.0728","","","","","","1.014","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512263","11.83328","0.00017","11.9072","0.0002","22.0907","0.0003","90","","90","","90","","3112.61","0.08","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Ag4 I6 N4 -","- C18 H22 Ag4 I6 N4 -","- C72 H88 Ag16 I24 N16 -","4","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0244","0.023","","","0.0435","0.0441","","","","","","1.046","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512264","11.9385","0.0007","12.6709","0.0006","23.1557","0.0011","90","","90","","90","","3502.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Ag4 I6 N4 -","- C20 H26 Ag4 I6 N4 -","- C80 H104 Ag16 I24 N16 -","4","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0634","0.0474","","","0.1051","0.1142","","","","","","1.018","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512265","12.2482","0.001","12.8858","0.0011","23.2946","0.0013","90","","90","","90","","3676.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Ag4 I6 N4 -","- C22 H30 Ag4 I6 N4 -","- C88 H120 Ag16 I24 N16 -","4","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.1011","0.0564","","","0.1117","0.1345","","","","","","1.023","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512266","17.0348","0.0011","8.4649","0.0005","20.0674","0.0011","90","","90","","90","","2893.7","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Co3 O30 -","- C12 H36 Co3 O30 -","- C48 H144 Co12 O120 -","4","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0835","0.0398","","","0.0587","0.0669","","","","","","0.986","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512267","8.7373","0.0007","9.7058","0.0006","15.3909","0.0014","84.254","0.006","81.361","0.007","78.367","0.006","1260.58","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H60 Co6 O54 -","- C24 H60 Co6 O54 -","- C24 H60 Co6 O54 -","1","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","1.54184","CuKα","","0.0799","0.0498","","","0.1158","0.1273","","","","","","0.983","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512268","16.9667","0.0009","8.4375","0.0004","19.9676","0.0009","90","","90","","90","","2858.5","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Ni3 O30 -","- C12 H36 Ni3 O30 -","- C48 H144 Ni12 O120 -","4","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0799","0.0437","","","0.0698","0.0778","","","","","","1.007","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512269","6.7014","0.0002","19.2147","0.0006","23.0383","0.0006","90","","92.119","0.003","90","","2964.51","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 K2 Ni2 O29 -","- C12 H34 K2 Ni2 O29 -","- C48 H136 K8 Ni8 O116 -","4","1","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0772","0.0481","","","0.1137","0.1199","","","","","","1","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512270","19.26","0.0004","21.0541","0.0003","12.845","0.0002","90","","90","","90","","5208.67","0.15","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C24 H58 Cu7 O54 -","- C24 H58 Cu7 O54 -","- C96 H232 Cu28 O216 -","4","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0265","0.023","","","0.0488","0.0493","","","","","","0.978","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512271","19.4561","0.001","12.511","0.0006","21.4202","0.0011","90","","90","","90","","5214","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H26 Cu2 K2 O25 -","- C12 H25.42 Cu2 K2 O25 -","- C96 H203.36 Cu16 K16 O200 -","8","1","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.7749","synchrotron","","0.0389","0.0345","","","0.0928","0.0952","","","","","","1.077","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512272","27.35","0.002","9.5383","0.0006","18.5428","0.0016","90","","113.005","0.01","90","","4452.6","0.7","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H48 Cu5 O47 -","- C24 H44 Cu5 O47 -","- C96 H176 Cu20 O188 -","4","1","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.71073","MoKα","","0.0487","0.0376","","","0.0776","0.0817","","","","","","1.02","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512273","10.136","0.003","10.136","0.003","26.725","0.007","90","","90","","120","","2377.8","1.2","150","2","150","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C33 H26 Cu2 N4 O15 -","- C33 H22 Cu2 N4 O15 -","- C99 H66 Cu6 N12 O45 -","3","0.5","","Clegg, William; Holcroft, James M.","Structural Variation in Mellitate Complexes of First-Row Transition Metals: What Chance for Design?","Crystal Growth & Design","2014","14","12","6282","","10.1021/cg5009736","","","0.6889","synchrotron","","0.0581","0.0492","","","0.1393","0.1449","","","","","","1.065","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512274","35.1544","0.0003","35.1544","0.0003","35.1544","0.0003","90","","90","","90","","43444.9","0.6","293","2","293","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C40 H22 N4 O20 Zn6 -","- C39.999 H22 N4 O20 Zn6 -","- C959.976 H528 N96 O480 Zn144 -","24","0.5","","Wang, Fei; Fu, Hong-Ru; Hou, Duan-Chuan; Zhang, Jian","Assembly of Four Kinds of Cages into Porous Metal‒Organic Framework for Selective Sorption of Light Hydrocarbons","Crystal Growth & Design","2014","14","12","6467","","10.1021/cg5013318","","","0.71073","MoKα","","0.083","0.0564","","","0.1618","0.1739","","","","","","1.033","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512278","23.6226","0.001","8.458","0.0004","16.2905","0.0007","90","","121.247","0.0014","90","","2782.7","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dichloro-(bis(2-pyridylmethyl)selenide-N,N')-zinc(ii)","","- C12 H12 Cl2 N2 Se Zn -","- C12 H12 Cl2 N2 Se Zn -","- C96 H96 Cl16 N16 Se8 Zn8 -","8","1","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.0326","0.0316","","","0.0886","0.0892","","","","","","1.168","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512279","8.9256","0.0001","8.9256","0.0001","18.4297","0.0002","90","","90","","90","","1468.23","0.03","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","dichloro-(bis(2-pyridylmethyl)selenide-N,N')-zinc(ii)","","- C12 H12 Cl2 N2 Se Zn -","- C12 H12 Cl2 N2 Se Zn -","- C48 H48 Cl8 N8 Se4 Zn4 -","4","0.5","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.0188","0.0187","","","0.0533","0.0533","","","","","","0.916","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512280","9.4838","0.0002","10.3298","0.0002","15.2472","0.0003","80.122","0.0009","88.2713","0.001","78.0084","0.0009","1439.42","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(μ2-chloro)-dichloro-bis(bis(2-pyridylmethyl)selenide)-di-cadmium(ii)","","- C24 H24 Cd2 Cl4 N4 Se2 -","- C24 H24 Cd2 Cl4 N4 Se2 -","- C48 H48 Cd4 Cl8 N8 Se4 -","2","1","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.0334","0.0292","","","0.0731","0.075","","","","","","1.02","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512281","7.9133","0.0002","8.3841","0.0002","12.7127","0.0003","81.8816","0.0008","80.8657","0.0007","65.1216","0.0007","752.85","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","bis(nitrato-O,O')-(bis(2-pyridylmethyl)selenide-N,N',Se)-zinc(ii)","","","- C12 H12 N4 O6 Se Zn -","- C12 H12 N4 O6 Se Zn -","- C24 H24 N8 O12 Se2 Zn2 -","2","1","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.0268","0.0262","","","0.0714","0.072","","","","","","1.037","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512282","7.9942","0.0003","8.4913","0.0003","12.7305","0.0004","80.6531","0.0015","79.1801","0.0013","67.1369","0.0012","778.28","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(nitrato-O,O')-(bis(2-pyridylmethyl)selenide-N,N',Se)-cadmium(ii)","","- C12 H12 Cd N4 O6 Se -","- C12 H12 Cd N4 O6 Se -","- C24 H24 Cd2 N8 O12 Se2 -","2","1","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.022","0.0217","","","0.0557","0.0559","","","","","","1.039","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512283","8.065","0.0001","8.5158","0.0001","13.8712","0.0002","80.125","0.0006","81.855","0.0006","63.48","0.0005","837.509","0.019","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(nitrato-O,O')-(1,2-bis(2-pyridylmethyl)diselane-N,N',Se)-cadmium(ii)","","- C12 H12 Cd N4 O6 Se2 -","- C12 H12 Cd N4 O6 Se2 -","- C24 H24 Cd2 N8 O12 Se4 -","2","1","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.027","0.0268","","","0.0711","0.0712","","","","","","1.061","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512284","8.0371","0.0002","8.4838","0.0002","12.9112","0.0003","80.8446","0.0009","80.0131","0.0009","66.1735","0.0008","789.24","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(nitrato-O,O')-(bis(2-pyridylmethyl)selenide-N,N',Se)-cadmium(ii) bis(nitrato-O,O')-(1,2-bis(2-pyridylmethyl)diselane-N,N',Se)-cadmium(ii)","","- C12 H12 Cd N4 O6 Se1.14 -","- C12 H12 Cd N4 O6 Se1.144 -","- C24 H24 Cd2 N8 O12 Se2.288 -","2","1","","Hain, Malia S.; Fukuda, Yoko; Rojas Ramírez, Carolina; Winer, Benjamin Y.; Winslow, Stephanie E.; Pike, Robert D.; Bebout, Deborah C.","Staging Bonding between Group 12 Metal Ions and Neutral Selenium Donors: Intermolecular Interactions of Mixed N,Se Donor Ligands and Anions","Crystal Growth & Design","2014","14","12","6497","","10.1021/cg501395p","","","1.54178","CuKα","","0.0362","0.0359","","","0.0914","0.0915","","","","","","1.085","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512285","7.3116","0.0019","10.858","0.003","14.5","0.004","90","","90.276","0.005","90","","1151.1","0.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N4 -","- C32 H16 N4 -","- C64 H32 N8 -","2","0.5","","Hu, Peng; Ma, Lin; Tan, Ke Jie; Jiang, Hui; Wei, Fengxia; Yu, Chuhuan; Goetz, Katelyn P.; Jurchescu, Oana D.; McNeil, L. E.; Gurzadyan, Gagik G.; Kloc, Christian","Solvent-Dependent Stoichiometry in Perylene–7,7,8,8-Tetracyanoquinodimethane Charge Transfer Compound Single Crystals","Crystal Growth & Design","2014","14","12","6376","","10.1021/cg501206f","","x-ray","0.71069","MoKα","","0.0606","0.045","","","0.0552","0.0572","","","","2.51","2.51","2.14","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512286","10.411","0.003","10.862","0.001","12.574","0.002","66.456","0.001","66.295","0.003","89.225","0.004","1175.1","0.4","293","","293","","","","","","","","","3","P -1","-P 1","2","P3T1","Tetracyanoquinodimethane(perylene)2-perylene","","- C72 H40 N4 -","- C72 H40 N4 -","- C72 H40 N4 -","1","0.5","","Hu, Peng; Ma, Lin; Tan, Ke Jie; Jiang, Hui; Wei, Fengxia; Yu, Chuhuan; Goetz, Katelyn P.; Jurchescu, Oana D.; McNeil, L. E.; Gurzadyan, Gagik G.; Kloc, Christian","Solvent-Dependent Stoichiometry in Perylene–7,7,8,8-Tetracyanoquinodimethane Charge Transfer Compound Single Crystals","Crystal Growth & Design","2014","14","12","6376","","10.1021/cg501206f","","","0.71069","MoKα","","0.0795","0.0496","","","0.1154","0.1441","","","","2.63","2.63","2.52","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512287","5.0825","0.001","9.7492","0.0019","15.148","0.003","77.78","0.03","89.74","0.03","77.45","0.03","715.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 F N4 O4 -","- C14 H15 F N4 O4 -","- C28 H30 F2 N8 O8 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Crystal Engineering of Tegafur Cocrystals: Structural Analysis and Physicochemical Properties","Crystal Growth & Design","2014","14","12","6557","","10.1021/cg501469r","","","0.71073","MoKα","","0.0964","0.0905","","","0.2628","0.2711","","","","","","1.199","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512288","5.2764","0.0011","10.181","0.002","13.495","0.003","87.43","0.03","81.56","0.03","78.7","0.03","703.1","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 F N4 O4 -","- C14 H15 F N4 O4 -","- C28 H30 F2 N8 O8 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Crystal Engineering of Tegafur Cocrystals: Structural Analysis and Physicochemical Properties","Crystal Growth & Design","2014","14","12","6557","","10.1021/cg501469r","","","0.71073","MoKα","","0.0426","0.04","","","0.1117","0.12","","","","","","1.098","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512289","5.1227","0.001","21.618","0.004","13.215","0.003","90","","93.39","0.03","90","","1460.9","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F N2 O6 -","- C15 H15 F N2 O6 -","- C60 H60 F4 N8 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Crystal Engineering of Tegafur Cocrystals: Structural Analysis and Physicochemical Properties","Crystal Growth & Design","2014","14","12","6557","","10.1021/cg501469r","","","0.71073","MoKα","","0.0769","0.07","","","0.1975","0.209","","","","","","1.148","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512290","8.4887","0.0017","8.6643","0.0017","12.184","0.002","91.83","0.03","100.87","0.03","105.3","0.03","845.7","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 F N6 O6 -","- C15 H19 F N6 O6 -","- C30 H38 F2 N12 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Crystal Engineering of Tegafur Cocrystals: Structural Analysis and Physicochemical Properties","Crystal Growth & Design","2014","14","12","6557","","10.1021/cg501469r","","","0.71073","MoKα","","0.0555","0.0523","","","0.1476","0.1576","","","","","","1.138","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512291","12.609","0.003","11.125","0.002","19.976","0.004","90","","92.16","0.03","90","","2800.1","1","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 F N2 O6 -","- C14 H15 F N2 O6 -","- C112 H120 F8 N16 O48 -","8","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Crystal Engineering of Tegafur Cocrystals: Structural Analysis and Physicochemical Properties","Crystal Growth & Design","2014","14","12","6557","","10.1021/cg501469r","","","0.71073","MoKα","","0.0515","0.05","","","0.1366","0.1382","","","","","","1.075","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512292","12.6294","0.0005","13.6304","0.0005","16.3489","0.0007","107.245","0.001","99.96","0.001","96.713","0.001","2604.68","0.18","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H110 Fe4 N2 O118 Pr2 Sb2 W18 -","- C8 H18 Fe4 N2 O118 Pr2 Sb2 W18 -","- C8 H18 Fe4 N2 O118 Pr2 Sb2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0529","0.0463","","","0.1081","0.1113","","","","","","1.067","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512293","12.6125","0.0006","13.5912","0.0007","16.2958","0.0008","107.066","0.001","100.003","0.001","96.73","0.001","2587.5","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H110 Fe4 N2 Nd2 O118 Sb2 W18 -","- C8 H18 Fe4 N2 Nd2 O118 Sb2 W18 -","- C8 H18 Fe4 N2 Nd2 O118 Sb2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0845","0.0795","","","0.2215","0.2269","","","","","","1.038","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512294","12.6058","0.0005","13.5742","0.0005","16.2643","0.0007","106.991","0.001","99.967","0.001","96.756","0.001","2579.25","0.18","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H110 Fe4 N2 O118 Sb2 Sm2 W18 -","- C8 H18 Fe4 N2 O118 Sb2 Sm2 W18 -","- C8 H18 Fe4 N2 O118 Sb2 Sm2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0633","0.0539","","","0.1388","0.1448","","","","","","1.025","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512295","12.6012","0.0006","13.5607","0.0006","16.239","0.0007","106.948","0.001","99.924","0.001","96.908","0.001","2571.5","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H110 Eu2 Fe4 N2 O118 Sb2 W18 -","- C8 H18 Eu2 Fe4 N2 O118 Sb2 W18 -","- C8 H18 Eu2 Fe4 N2 O118 Sb2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0435","0.0393","","","0.0927","0.0948","","","","","","1.063","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512296","12.6124","0.0006","13.5806","0.0006","16.2545","0.0008","106.882","0.001","99.955","0.001","96.901","0.001","2580.8","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H110 Fe4 Gd2 N2 O118 Sb2 W18 -","- C8 H18 Fe4 Gd2 N2 O118 Sb2 W18 -","- C8 H18 Fe4 Gd2 N2 O118 Sb2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0572","0.053","","","0.1384","0.1415","","","","","","1.032","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512297","12.5725","0.0008","13.5254","0.0009","16.1682","0.001","106.669","0.001","99.964","0.001","97.038","0.001","2550.6","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H110 Dy2 Fe4 N2 O118 Sb2 W18 -","- C8 H18 Dy2 Fe4 N2 O118 Sb2 W18 -","- C8 H18 Dy2 Fe4 N2 O118 Sb2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0541","0.0499","","","0.1273","0.1301","","","","","","1.054","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512298","12.5684","0.0007","13.4822","0.0007","16.0879","0.0008","106.5","0.001","99.82","0.001","97.278","0.001","2530.9","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H106 Fe4 Lu2 N2 O116 Sb2 W18 -","- C8 H18 Fe4 Lu2 N2 O116 Sb2 W18 -","- C8 H18 Fe4 Lu2 N2 O116 Sb2 W18 -","1","0.5","","Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan","First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands","Crystal Growth & Design","2014","14","12","6217","","10.1021/cg5007988","","","0.71073","MoKα","","0.0697","0.0658","","","0.1878","0.1918","","","","","","1.033","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512299","27.3789","0.0019","6.8157","0.0002","20.8598","0.0014","90","","134.626","0.012","90","","2770.4","0.6","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C61 H54 I N8 Na O6 -","- C61 H52 I N8 Na O6 -","- C122 H104 I2 N16 Na2 O12 -","2","0.5","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","1.5418","CuKα","","0.0367","0.0364","","","0.0955","0.0957","","","","","","1.078","","","","has coordinates,has disorder","179669","2020-10-21","18:00:00",""
"4512300","16.123","0.0006","11.227","0.0004","36.8726","0.0016","90","","91.165","0.003","90","","6673","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H60 I3 N10 Na O5 -","- C75 H60 I3 N10 Na O5 -","- C300 H240 I12 N40 Na4 O20 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","0.71073","MoKα","","0.1455","0.0612","","","0.0801","0.1019","","","","","","1.03","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512301","10.2171","0.0005","14.4369","0.0006","27.5476","0.0012","91.841","0.003","96.689","0.004","90.972","0.004","4032.7","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H70 Br4 I2 N11 Na O5 -","- C88 H70 Br4 I2 N11 Na O5 -","- C176 H140 Br8 I4 N22 Na2 O10 -","2","1","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","0.71073","MoKα","","0.145","0.0847","","","0.1678","0.2027","","","","","","1.076","","","","has coordinates,has disorder","179670","2020-10-21","18:00:00",""
"4512302","11.0877","0.0007","5.4381","0.0004","24.663","0.0019","90","","101.058","0.007","90","","1459.47","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Br N3 O -","- C15 H16 Br N3 O -","- C60 H64 Br4 N12 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","0.71073","MoKα","","0.0842","0.0522","","","0.0774","0.0892","","","","","","0.995","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512303","10.2879","0.0004","17.9944","0.0004","8.8718","0.0003","90","","122.427","0.005","90","","1386.3","0.11","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl I2 N -","- C13 H10 Cl I2 N -","- C52 H40 Cl4 I8 N4 -","4","0.5","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","0.71073","MoKα","","0.0216","0.0175","","","0.0384","0.0398","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512304","18.0581","0.0012","10.3454","0.0003","14.9699","0.0005","90","","90","","90","","2796.7","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H10 Br I2 N -","- C13 H10 Br I2 N -","- C104 H80 Br8 I16 N8 -","8","2","","Buist, Amanda R.; Kennedy, Alan R.","Ionic Cocrystals of Pharmaceutical Compounds: Sodium Complexes of Carbamazepine","Crystal Growth & Design","2014","14","12","6508","","10.1021/cg501400n","","","0.71073","MoKα","","0.0279","0.0251","","","0.0499","0.051","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512305","13.3944","0.0003","15.7651","0.0004","20.8205","0.0004","81.3104","0.0019","77.788","0.002","66.947","0.002","3942.5","0.17","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 Br4 Cl6 N4 O9 -","- C76 H95.938 Br4 Cl6 N4 O9 -","- C152 H191.876 Br8 Cl12 N8 O18 -","2","1","","Beyeh, N. Kodiah; Pan, Fangfang; Rissanen, Kari","Hierarchical Ordering in Ternary Co-Crystals of C60,N-Benzyl Ammonium Resorcinarene Bromide and Solvent Molecules","Crystal Growth & Design","2014","14","12","6161","","10.1021/cg5014413","","","1.54184","CuKα","","0.0433","0.0384","","","0.0963","0.1008","","","","","","1.011","","","","has coordinates,has disorder","179670","2020-10-21","18:00:00",""
"4512306","22.315","0.003","3.8413","0.0004","19.598","0.003","90","","90","","90","","1679.9","0.4","296","","296","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C7 H5 Cl2 N O2 -","- C7 H4 Cl2 N O2 -","- C56 H32 Cl16 N8 O16 -","8","1","","Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo","Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons","Crystal Growth & Design","2014","14","12","6189","","10.1021/cg501479p","","","0.71075","MoKα","","","0.041","","","","0.1152","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512307","22.252","0.002","3.7729","0.0003","19.6529","0.0017","90","","90","","90","","1650","0.2","160","","160","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C7 H5 Cl2 N O2 -","- C7 H4 Cl2 N O2 -","- C56 H32 Cl16 N8 O16 -","8","1","","Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo","Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons","Crystal Growth & Design","2014","14","12","6189","","10.1021/cg501479p","","","0.71075","MoKα","","","0.0527","","","","0.1497","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512308","22.7032","0.0011","4.1824","0.0002","19.5101","0.0008","90","","90","","90","","1852.56","0.15","296","","296","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C7 H5 I2 N O2 -","- C7 H4 I2 N O2 -","- C56 H32 I16 N8 O16 -","8","1","","Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo","Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons","Crystal Growth & Design","2014","14","12","6189","","10.1021/cg501479p","","","0.71075","MoKα","","","0.0254","","","","0.0547","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512309","22.5957","0.0007","4.1172","0.0001","19.4964","0.0005","90","","90","","90","","1813.77","0.09","110","","110","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C7 H5 I2 N O2 -","- C7 H4 I2 N O2 -","- C56 H32 I16 N8 O16 -","8","1","","Ueda, Kouhei; Oguni, Masaharu; Asaji, Tetsuo","Halogen Bond as Controlling the Crystal Structure of 4-Amino-3,5-Dihalogenobenzoic Acid and Its Effect on the Positional Ordering/Disordering of Acid Protons","Crystal Growth & Design","2014","14","12","6189","","10.1021/cg501479p","","","0.71075","MoKα","","","0.0189","","","","0.0413","","","","","","1.263","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512310","12.4909","0.0005","7.9389","0.0002","14.8184","0.0005","90","","113.001","0.004","90","","1352.63","0.09","300","","300","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C10 H10 B F4 I N2 -","- C10 H10 B F4 I N2 -","- C40 H40 B4 F16 I4 N8 -","4","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.54184","CuKα","","0.1434","0.1374","","0.3561","0.341","0.3561","","","","","","0.9941","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512311","12.1812","0.0002","15.7817","0.0002","14.6363","0.0002","90","","113.497","0.002","90","","2580.38","0.08","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 B F4 I N2 -","- C10 H10 B F4 I N2 -","- C80 H80 B8 F32 I8 N16 -","8","2","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.54184","CuKα","","0.0547","0.0526","","0.1569","0.1517","0.1569","","","","","","0.9959","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512312","13.6186","0.0006","6.8104","0.0002","8.4412","0.0004","90","","106.491","0.004","90","","750.7","0.06","240","","240","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H10 F6 I N2 P -","- C10 H10 F6 I N2 P -","- C20 H20 F12 I2 N4 P2 -","2","0.25","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0421","0.0421","","0.1059","0.1059","0.1059","","","","","","1.0342","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512313","13.6291","0.0006","6.6689","0.0002","8.3311","0.0004","90","","105.743","0.004","90","","728.82","0.05","100","","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H10 F6 I N2 P -","- C10 H10 F6 I N2 P -","- C20 H20 F12 I2 N4 P2 -","2","0.25","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0636","0.0636","","0.1454","0.1454","0.1454","","","","","","1.0953","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512314","12.5366","0.0007","8.0714","0.0004","14.923","0.0009","90","","113.319","0.007","90","","1386.68","0.15","300","","300","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C10 H10 Cl I N2 O4 -","- C10 H10 Cl I N2 O4 -","- C40 H40 Cl4 I4 N8 O16 -","4","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0852","0.0788","","0.2316","0.2127","0.2316","","","","","","0.9764","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512315","12.1261","0.0002","15.9708","0.0002","14.7929","0.0002","90","","113.742","0.002","90","","2622.39","0.08","30","","30","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl I N2 O4 -","- C10 H10 Cl I N2 O4 -","- C80 H80 Cl8 I8 N16 O32 -","8","2","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","0.6889","Synchrotron","","0.0294","0.0257","","0.0612","0.0589","0.0612","","","","","","1","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512316","7.2427","0.0004","10.7513","0.0007","10.8275","0.0006","92.95","0.005","106.067","0.005","104.941","0.005","775.92","0.09","300","","300","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H10 F3 I N2 O3 S -","- C11 H10 F3 I N2 O3 S -","- C22 H20 F6 I2 N4 O6 S2 -","2","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.049","0.0476","","0.1256","0.1221","0.1256","","","","","","0.9584","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512317","6.9897","0.0003","10.6617","0.0005","10.735","0.0005","93.588","0.004","105.368","0.004","104.094","0.004","741.23","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H10 F3 I N2 O3 S -","- C11 H10 F3 I N2 O3 S -","- C22 H20 F6 I2 N4 O6 S2 -","2","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0409","0.0406","","0.1084","0.1076","0.1084","","","","","","1.0101","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512318","4.3576","0.0001","15.3233","0.0002","16.8802","0.0002","90","","91.7309","0.001","90","","1126.62","0.03","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 I8 N2 -","- C10 H10 I8 N2 -","- C20 H20 I16 N4 -","2","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","0.6889","Synchrotron","","0.0319","0.026","","0.0529","0.0487","0.0529","","","","","","0.9365","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512319","13.5556","0.001","13.5811","0.0008","7.3247","0.0006","90","","97.287","0.007","90","","1337.59","0.17","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 B Br F4 N2 -","- C10 H10 B Br F4 N2 -","- C40 H40 B4 Br4 F16 N8 -","4","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0548","0.0391","","0.1164","0.102","0.1157","","","","","","0.9843","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512320","13.722","0.0005","13.2565","0.0005","7.0604","0.0003","90","","97.109","0.004","90","","1274.45","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 B Br F4 N2 -","- C10 H10 B Br F4 N2 -","- C40 H40 B4 Br4 F16 N8 -","4","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0344","0.0314","","0.0873","0.0821","0.0873","","","","","","0.8542","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512321","6.7065","0.0003","10.6364","0.0005","9.9879","0.0006","90","","90.374","0.004","90","","712.45","0.06","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br F6 N2 P -","- C10 H10 Br F6 N2 P -","- C20 H20 Br2 F12 N4 P2 -","2","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","0.7107","MoKα","","0.057","0.0314","","0.0806","0.0683","0.0806","","","","","","0.9725","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512322","6.6796","0.0002","10.6598","0.0003","9.6226","0.0003","90","","89.073","0.003","90","","685.07","0.04","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br F6 N2 P -","- C10 H10 Br F6 N2 P -","- C20 H20 Br2 F12 N4 P2 -","2","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","0.7107","MoKα","","0.0277","0.022","","0.0519","0.0463","0.0519","","","","","","0.9565","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512323","10.2259","0.0003","12.5223","0.0004","20.4388","0.0006","90","","92.547","0.003","90","","2614.64","0.14","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br Cl N2 O4 -","- C10 H10 Br Cl N2 O4 -","- C80 H80 Br8 Cl8 N16 O32 -","8","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","0.7107","MoKα","","0.0791","0.0386","","0.0907","0.0659","0.0907","","","","","","0.96","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512324","10.1232","0.0002","12.1732","0.0003","20.2353","0.0004","90","","93.002","0.002","90","","2490.21","0.09","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br Cl N2 O4 -","- C10 H10 Br Cl N2 O4 -","- C80 H80 Br8 Cl8 N16 O32 -","8","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","0.71073","MoKα","","0.0302","0.0248","","0.0621","0.0565","0.0621","","","","","","0.9533","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512325","7.0831","0.0003","10.659","0.0005","10.7667","0.0004","95.913","0.003","104.24","0.004","104.692","0.004","750.18","0.06","300","","300","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H10 Br F3 N2 O3 S -","- C11 H10 Br F3 N2 O3 S -","- C22 H20 Br2 F6 N4 O6 S2 -","2","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0369","0.0357","","0.0973","0.0965","0.0973","","","","","","1.0561","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512326","6.8906","0.0004","10.5223","0.0006","10.6716","0.0005","96.948","0.004","103.368","0.004","103.979","0.005","717.56","0.07","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H10 Br F3 N2 O3 S -","- C11 H10 Br F3 N2 O3 S -","- C22 H20 Br2 F6 N4 O6 S2 -","2","1","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","1.5418","CuKα","","0.0578","0.0555","","0.1613","0.1592","0.1613","","","","","","1.0335","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512327","12.3353","0.0013","79.515","0.0008","14.7011","0.0016","90","","113.236","0.01","90","","13250","2","","","","","","","","","","","","6","P 1","P 1","1","","","","- C10 H10 B F4 I N2 -","- C100 H100 B8.32662 F32.909 I10 N20 -","- C400 H400 B33.3065 F131.636 I40 N80 -","4","4","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","","","","","","","","","","","","","","","","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512328","12.4327","0.0008","80.829","0.0005","14.8445","0.0012","90","0.006","113.272","0.007","90","0.005","13703.9","1.6","","","","","","","","","","","","6","P 1","P 1","1","","","","- C10 H10 Cl I N2 O4 -","- C100 H100 Cl10 I10 N20 O40 -","- C400 H400 Cl40 I40 N80 O160 -","4","4","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","","","","","","","","","","","","","","","","","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4512329","26.676","0.005","18.145","0.004","18.954","0.004","90","","118.54","0.03","90","","8060","4","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C52 H70 B2 Co Cu4 N18 O16 -","- C52 H45 B2 Co Cu4 N18 O16 -","- C208 H180 B8 Co4 Cu16 N72 O64 -","4","1","","Ryu, Dae Won; Lee, Woo Ram; Lim, Kwang Soo; Phang, Won Ju; Hong, Chang Seop","Two Homochiral Bimetallic Metal‒Organic Frameworks Composed of a Paramagnetic Metalloligand and Chiral Camphorates: Multifunctional Properties of Sorption, Magnetism, and Enantioselective Separation","Crystal Growth & Design","2014","14","12","6472","","10.1021/cg501332u","","","0.7","synchrotron","","0.108","0.0726","","","0.2032","0.2196","","","","","","0.962","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512330","26.604","0.005","18.113","0.004","18.925","0.004","90","","118.24","0.03","90","","8034","4","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C52 H70 B2 Co Cu4 N18 O16 -","- C52 H53 B2 Co Cu4 N18 O16 -","- C208 H212 B8 Co4 Cu16 N72 O64 -","4","1","","Ryu, Dae Won; Lee, Woo Ram; Lim, Kwang Soo; Phang, Won Ju; Hong, Chang Seop","Two Homochiral Bimetallic Metal‒Organic Frameworks Composed of a Paramagnetic Metalloligand and Chiral Camphorates: Multifunctional Properties of Sorption, Magnetism, and Enantioselective Separation","Crystal Growth & Design","2014","14","12","6472","","10.1021/cg501332u","","","0.7","synchrotron","","0.1036","0.0811","","","0.229","0.254","","","","","","1.036","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512332","33.9859","0.0006","7.2091","0.0001","12.3233","0.0002","90","","90","","90","","3019.3","0.08","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17.5 H16 Cl N O4 -","- C17.5 H16 Cl N O4 -","- C140 H128 Cl8 N8 O32 -","8","1","","Moon, Hyunsoo; Xuan, Qui Pham; Kim, Dokyoung; Kim, Yonghwi; Park, Jae Woo; Lee, Chong Han; Kim, Hyeong-Ju; Kawamata, Ayano; Park, Soo Young; Ahn, Kyo Han","Molecular-Shape-Dependent Luminescent Behavior of Dye Aggregates: Bent versus Linear Benzocoumarins","Crystal Growth & Design","2014","14","12","6613","","10.1021/cg501567s","","","0.71073","MoKα","","0.0773","0.0451","","","0.1126","0.1308","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512333","6.456","0.0003","12.5261","0.0004","16.8967","0.0006","90.012","0.002","90.001","0.002","89.974","0.002","1366.41","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","Moon, Hyunsoo; Xuan, Qui Pham; Kim, Dokyoung; Kim, Yonghwi; Park, Jae Woo; Lee, Chong Han; Kim, Hyeong-Ju; Kawamata, Ayano; Park, Soo Young; Ahn, Kyo Han","Molecular-Shape-Dependent Luminescent Behavior of Dye Aggregates: Bent versus Linear Benzocoumarins","Crystal Growth & Design","2014","14","12","6613","","10.1021/cg501567s","","","0.71073","MoKα","","0.131","0.0858","","","0.2377","0.2753","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512334","13.8783","0.0005","20.3674","0.0008","21.0344","0.0005","62.572","0.003","82.489","0.003","73.85","0.003","5069.1","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C167 H144 Mn6 N7 O34 -","- C167 H144 Mn6 N7 O34 -","- C167 H144 Mn6 N7 O34 -","1","0.5","","Yang, Jie; Wang, Xiaoqing; Wang, Rongming; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Two 2-Fold Interpenetrating Metal‒Organic Frameworks Based on a Trigonal Rigid Ligand","Crystal Growth & Design","2014","14","12","6521","","10.1021/cg501425x","","","0.71","MoKα","","0.151","0.1156","","","0.3552","0.3883","","","","","","1.007","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512335","42.439","0.01","13.969","0.004","33.47","0.008","90","","90","","90","","19842","9","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C159 H122 Cd6 N5 O30 -","- C159 H122 Cd6 N5 O30 -","- C636 H488 Cd24 N20 O120 -","4","1","","Yang, Jie; Wang, Xiaoqing; Wang, Rongming; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng","Syntheses, Crystal Structures, and Properties of Two 2-Fold Interpenetrating Metal‒Organic Frameworks Based on a Trigonal Rigid Ligand","Crystal Growth & Design","2014","14","12","6521","","10.1021/cg501425x","","","0.71073","MoKα","","0.1391","0.0867","","","0.1845","0.2035","","","","","","1.007","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512336","7.961","0.006","8.127","0.006","14.041","0.011","92.111","0.008","99.219","0.014","90.526","0.013","896","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0625","0.0453","","","0.1066","0.1155","","","","","","0.925","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512337","7.967","0.006","8.131","0.006","14.048","0.011","92.12","0.009","99.247","0.014","90.52","0.013","897.5","1.2","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0641","0.0469","","","0.1147","0.124","","","","","","0.936","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512338","7.982","0.006","8.147","0.006","14.075","0.011","92.135","0.009","99.273","0.015","90.523","0.013","902.6","1.2","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0604","0.0431","","","0.101","0.1087","","","","","","0.958","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512339","7.979","0.006","8.143","0.006","14.066","0.011","92.142","0.009","99.311","0.016","90.527","0.014","901.1","1.2","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0653","0.0474","","","0.1097","0.1196","","","","","","0.969","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512340","7.982","0.006","8.142","0.006","14.067","0.012","92.179","0.009","99.398","0.016","90.53","0.013","901.2","1.2","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0641","0.0461","","","0.1045","0.1129","","","","","","0.954","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512341","7.994","0.006","8.153","0.006","14.085","0.012","92.195","0.009","99.444","0.016","90.518","0.014","904.8","1.2","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0649","0.0467","","","0.1076","0.1162","","","","","","0.975","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512342","7.981","0.006","8.136","0.007","14.06","0.012","92.211","0.01","99.516","0.016","90.523","0.014","899.6","1.3","188","2","188","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0643","0.0469","","","0.1123","0.1221","","","","","","0.988","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512343","8","0.006","8.152","0.007","14.09","0.011","92.224","0.015","99.586","0.018","90.53","0.02","905.3","1.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0643","0.0447","","","0.107","0.1275","","","","","","0.985","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512344","8.002","0.007","8.152","0.007","14.089","0.012","92.243","0.009","99.692","0.016","90.536","0.014","905.1","1.4","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0625","0.0448","","","0.1061","0.1147","","","","","","0.977","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512345","8.03","0.007","8.179","0.007","14.136","0.014","92.277","0.01","99.815","0.018","90.533","0.015","914","1.4","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0659","0.0448","","","0.1061","0.1277","","","","","","0.978","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512346","8.012","0.006","8.154","0.007","14.095","0.012","92.292","0.017","100","0.02","90.54","0.02","906","1.3","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0688","0.0479","","","0.1142","0.1353","","","","","","0.979","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512347","8.038","0.008","8.174","0.008","14.132","0.014","92.308","0.01","100.312","0.018","90.536","0.016","912.6","1.6","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0634","0.0449","","","0.1133","0.1243","","","","","","1.004","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512348","8.041","0.005","8.174","0.005","14.11","0.009","92.302","0.006","101.34","0.01","90.444","0.008","908.5","1","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0611","0.0437","","","0.1143","0.1251","","","","","","0.957","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512349","8.042","0.004","8.179","0.004","14.106","0.008","92.283","0.006","101.589","0.009","90.378","0.008","908.1","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0608","0.0424","","","0.0999","0.108","","","","","","0.915","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512350","8.043","0.004","8.183","0.004","14.106","0.008","92.276","0.005","101.704","0.009","90.338","0.007","908.3","0.8","228","2","228","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0592","0.0434","","","0.1221","0.1459","","","","","","1.11","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512351","8.048","0.004","8.189","0.004","14.108","0.008","92.274","0.005","101.776","0.008","90.294","0.007","909.4","0.8","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0615","0.0428","","","0.1115","0.1388","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512352","8.049","0.004","8.192","0.004","14.109","0.008","92.27","0.005","101.82","0.009","90.263","0.007","909.8","0.8","238","2","238","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0669","0.045","","","0.1116","0.1482","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512353","8.051","0.004","8.196","0.004","14.111","0.008","92.269","0.005","101.856","0.009","90.232","0.007","910.5","0.8","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0598","0.0429","","","0.1179","0.1424","","","","","","1.129","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512354","8.057","0.004","8.203","0.004","14.119","0.007","92.269","0.005","101.891","0.008","90.195","0.007","912.3","0.8","248","2","248","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0597","0.0419","","","0.1132","0.1358","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512355","8.053","0.004","8.201","0.004","14.111","0.007","92.267","0.005","101.921","0.008","90.169","0.007","911.1","0.8","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0606","0.0432","","","0.119","0.1453","","","","","","1.092","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512356","8.059","0.004","8.207","0.004","14.119","0.007","92.264","0.005","101.935","0.008","90.138","0.007","912.9","0.8","258","2","258","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0598","0.0438","","","0.1298","0.1588","","","","","","0.805","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512357","8.057","0.004","8.208","0.004","14.116","0.007","92.274","0.005","101.962","0.008","90.103","0.007","912.5","0.8","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0604","0.0445","","","0.1239","0.139","","","","","","1.09","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512358","8.061","0.004","8.214","0.004","14.122","0.007","92.273","0.005","101.975","0.008","90.073","0.007","913.9","0.8","268","2","268","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0614","0.0447","","","0.1256","0.1409","","","","","","1.107","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512359","8.059","0.004","8.213","0.004","14.116","0.007","92.266","0.005","101.98","0.008","90.041","0.006","913.2","0.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0605","0.0452","","","0.1263","0.1406","","","","","","1.094","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512360","8.055","0.004","8.205","0.004","14.115","0.007","92.243","0.008","101.957","0.01","90.021","0.006","911.9","0.8","278","2","278","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0664","0.0464","","","0.1337","0.1585","","","","","","1.129","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512361","8.062","0.004","8.215","0.004","14.124","0.008","92.241","0.008","101.966","0.01","89.982","0.006","914.4","0.8","283","2","283","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.081","0.0585","","","0.1277","0.1518","","","","","","0.998","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512362","8.7168","0.0017","9.1266","0.0018","11.88","0.002","97.11","0.03","100.78","0.03","91.34","0.03","920.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 N4 O7 S2 -","- C12 H20 N4 O7 S2 -","- C24 H40 N8 O14 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0992","0.0577","","","0.1372","0.1587","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512363","8.781","0.0018","9.3448","0.0019","11.695","0.002","97.23","0.03","101.57","0.03","90.37","0.03","932.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 N4 O7 S2 -","- C13 H22 N4 O7 S2 -","- C26 H44 N8 O14 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.1045","0.0647","","","0.1465","0.1662","","","","","","1.026","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512364","8.9071","0.0018","9.2503","0.0019","11.408","0.002","80.05","0.03","81.21","0.03","88.06","0.03","914.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N4 O6 S2 -","- C14 H22 N4 O6 S2 -","- C28 H44 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0655","0.0556","","","0.1429","0.1503","","","","","","1.159","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512365","8.7782","0.0018","9.0316","0.0018","11.923","0.002","87.1","0.03","74.74","0.03","88.77","0.03","910.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N4 O6 S2 -","- C13 H20 N4 O6 S2 -","- C26 H40 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0677","0.046","","","0.1097","0.1211","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512366","12.65","0.003","9.4099","0.0019","15.893","0.003","90","","98.67","0.03","90","","1870.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N4 O6 S2 -","- C14 H22 N4 O6 S2 -","- C56 H88 N16 O24 S8 -","4","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0667","0.0564","","","0.1428","0.1497","","","","","","1.154","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512367","12.275","0.003","10.37","0.002","16.802","0.003","90","","93.89","0.03","90","","2133.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N4 O6 S2 -","- C15 H24 N4 O6 S2 -","- C60 H96 N16 O24 S8 -","4","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0701","0.0484","","","0.1145","0.1253","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512368","7.9285","0.0016","8.0601","0.0016","14.012","0.003","81.25","0.03","84.47","0.03","87.88","0.03","880.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N5 O6 S2 -","- C14 H17 N5 O6 S2 -","- C28 H34 N10 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0681","0.0454","","","0.1027","0.1137","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512369","8.1391","0.0016","8.478","0.0017","12.896","0.003","87.42","0.03","80.55","0.03","84.57","0.03","873.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N5 O6 S2 -","- C14 H17 N5 O6 S2 -","- C28 H34 N10 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0757","0.0516","","","0.1073","0.1208","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512370","8.0779","0.0016","8.2327","0.0016","14.159","0.003","87.74","0.03","78.03","0.03","89.8","0.03","920.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C32 H36 N8 O12 S4 -","2","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0561","0.0496","","","0.1411","0.1491","","","","","","0.818","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512371","19.191","0.004","13.172","0.003","7.9418","0.0016","90","","90","","90","","2007.6","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H21 N5 O7 S2 -","- C15 H19 N5 O7 S2 -","- C60 H76 N20 O28 S8 -","4","0.5","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0861","0.0641","","","0.1445","0.155","","","","","","1.14","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512372","18.712","0.004","13.224","0.003","8.1214","0.0016","90","","90","","90","","2009.6","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H23 N5 O7 S2 -","- C16 H21 N5 O7 S2 -","- C64 H84 N20 O28 S8 -","4","0.5","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.0654","0.0531","","","0.1263","0.1328","","","","","","1.119","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512373","14.229","0.003","8.7979","0.0018","18.222","0.004","90","","112.11","0.03","90","","2113.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 N4 O6 S2 -","- C17 H26 N4 O6 S2 -","- C68 H104 N16 O24 S8 -","4","1","","Shi, Chao; Wei, Bin; Zhang, Wen","Toward Understanding the Origin of Structural Phase Transition in Guanidinium Pyridinium 1,5-Naphthalenedisulfonate","Crystal Growth & Design","2014","14","12","6570","","10.1021/cg5014895","","","0.71073","MoKα","","0.1101","0.0667","","","0.1352","0.1539","","","","","","1.082","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512374","6.1214","0.0012","17.328","0.003","19.009","0.004","90","","96.294","0.003","90","","2004.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O7 S -","- C20 H22 N2 O7 S -","- C80 H88 N8 O28 S4 -","4","1","","Liu, Hong-liang; Xie, Yi-Fei; Pan, Zhi-gang; Famulari, Antonino; Guo, Fang; Zhou, Zhongfu; Martí-Rujas, Javier","Cyclic Interconversion among Molecular Salts via Neat Grinding and Related Photoluminescence Properties","Crystal Growth & Design","2014","14","12","6528","","10.1021/cg5014329","","","0.71073","MoKα","","0.0885","0.047","","","0.1043","0.1238","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512375","12.676","0.004","17.643","0.005","13.575","0.004","90","","114.989","0.003","90","","2751.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O12 S2 -","- C27 H26 N2 O12 S2 -","- C108 H104 N8 O48 S8 -","4","1","","Liu, Hong-liang; Xie, Yi-Fei; Pan, Zhi-gang; Famulari, Antonino; Guo, Fang; Zhou, Zhongfu; Martí-Rujas, Javier","Cyclic Interconversion among Molecular Salts via Neat Grinding and Related Photoluminescence Properties","Crystal Growth & Design","2014","14","12","6528","","10.1021/cg5014329","","","0.71073","MoKα","","0.0486","0.037","","","0.093","0.1002","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512376","13.692","0.013","10.075","0.01","22.69","0.02","90","","102.745","0.011","90","","3053","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N4 O6 S -","- C33 H34 N4 O6 S -","- C132 H136 N16 O24 S4 -","4","1","","Liu, Hong-liang; Xie, Yi-Fei; Pan, Zhi-gang; Famulari, Antonino; Guo, Fang; Zhou, Zhongfu; Martí-Rujas, Javier","Cyclic Interconversion among Molecular Salts via Neat Grinding and Related Photoluminescence Properties","Crystal Growth & Design","2014","14","12","6528","","10.1021/cg5014329","","","0.71073","MoKα","","0.0567","0.0409","","","0.105","0.1151","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512377","5.52386","0.00017","15.9591","0.0005","19.0897","0.0007","104.586","0.003","91.067","0.003","90.718","0.003","1628.09","0.1","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N8 O18 U2 -","- C16 H32 N8 O18 U2 -","- C32 H64 N16 O36 U4 -","2","1","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.71","MoKα","","0.0632","0.0386","","","0.0767","0.0868","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512378","16.7336","0.0007","17.8778","0.0007","14.9349","0.0008","90","","110.211","0.005","90","","4192.8","0.4","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 N11 O2 S5 U -","- C29 H45 N11 O2 S5 U -","- C116 H180 N44 O8 S20 U4 -","4","1","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0763","0.0428","","","0.1","0.1173","","","","","","1.043","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512379","8.5341","0.0005","17.5319","0.001","8.8715","0.0006","90","","106.449","0.007","90","","1273.02","0.14","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","- C32 H60 Cl8 N8 O4 U2 -","2","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0462","0.028","","","0.0598","0.0663","","","","","","1.033","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512380","8.3911","0.0003","17.3111","0.0005","8.8455","0.0003","90","","107.345","0.003","90","","1226.46","0.07","180.01","0.1","180.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","- C32 H60 Cl8 N8 O4 U2 -","2","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0334","0.0276","","","0.0695","0.0737","","","","","","1.055","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512381","8.8731","0.0004","8.9844","0.0004","9.2813","0.0005","73.82","0.004","66.506","0.005","71.928","0.004","634.81","0.06","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","1","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0256","0.0254","","","0.0671","0.0671","","","","","","1.086","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512382","8.9048","0.0006","8.9663","0.0008","9.0618","0.0006","73.85","0.007","68.9","0.006","64.912","0.007","604.55","0.09","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","- C16 H30 Cl4 N4 O2 U -","1","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0301","0.0297","","","0.0638","0.0642","","","","","","1.037","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512383","10.058","0.0004","9.7278","0.0004","10.4943","0.0004","90","","94.009","0.004","90","","1024.27","0.07","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Cl4 N4 O2 U -","- C12 H22 Cl4 N4 O2 U -","- C24 H44 Cl8 N8 O4 U2 -","2","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0429","0.0397","","","0.1012","0.106","","","","","","1.094","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512384","9.6181","0.0005","9.811","0.0005","12.0087","0.0006","90","","97.51","0.005","90","","1123.46","0.1","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl4 N4 O2 U -","- C14 H26 Cl4 N4 O2 U -","- C28 H52 Cl8 N8 O4 U2 -","2","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.7107","MoKα","","0.0303","0.0207","","","0.0419","0.0469","","","","","","1.06","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512385","10.4266","0.001","13.6211","0.0007","10.4331","0.0009","90","","116.508","0.011","90","","1326","0.2","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Cl4 N4 O2 U -","- C18 H34 Cl4 N4 O2 U -","- C36 H68 Cl8 N8 O4 U2 -","2","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","","0.71073","MoKα","","0.057","0.0348","","","0.0748","0.0894","","","","","","1.013","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512386","10.3975","0.0002","13.52281","0.00019","10.3966","0.0002","90","","116.879","0.003","90","","1303.87","0.05","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Cl4 N4 O2 U -","- C18 H34 Cl4 N4 O2 U -","- C36 H68 Cl8 N8 O4 U2 -","2","0.5","","Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li","Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts","Crystal Growth & Design","2014","14","12","6421","","10.1021/cg501277d","","x-ray","0.71073","MoKα","","0.0226","0.0174","","","0.0376","0.0394","","","","","","1.055","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512387","8.8259","0.0014","12.51","0.002","9.9956","0.0016","90","","111.405","0.003","90","","1027.5","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C19 H22 Ag N O6 S2 -","- C19 H22 Ag N O6 S2 -","- C38 H44 Ag2 N2 O12 S4 -","2","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0512","0.0497","","","0.1198","0.1225","","","","","","1.073","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512388","19.5642","0.0014","8.9547","0.0006","25.1758","0.0018","90","","106.393","0.001","90","","4231.3","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Ag B F4 O3 S2 -","- C19 H22 Ag B F4 O3 S2 -","- C152 H176 Ag8 B8 F32 O24 S16 -","8","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.1304","0.0915","","","0.1978","0.2197","","","","","","1.166","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512389","10.1524","0.0006","19.0883","0.0012","13.0188","0.0008","90","","94.71","0.001","90","","2514.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Ag F3 O5 S2 -","- C23 H26 Ag F3 O5 S2 -","- C92 H104 Ag4 F12 O20 S8 -","4","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.089","0.0577","","","0.1137","0.1248","","","","","","1.065","","","","has coordinates,has disorder","179670","2020-10-21","18:00:00",""
"4512390","9.894","0.004","10.357","0.005","12.43","0.006","89.095","0.007","78.449","0.009","78.738","0.012","1223.5","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 Ag2 F6 O8 S6 -","- C46 H52 Ag2 F6 O8 S6 -","- C46 H52 Ag2 F6 O8 S6 -","1","0.5","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.1562","0.0592","","","0.1085","0.1401","","","","","","0.962","","","","has coordinates,has disorder","179670","2020-10-21","18:00:00",""
"4512391","12.6467","0.0006","16.1425","0.0007","24.7042","0.0011","90","","95.842","0.001","90","","5017.2","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 Cl2 Cu4 I4 O6 S4 -","- C39 H46 Cl2 Cu4 I4 O6 S4 -","- C156 H184 Cl8 Cu16 I16 O24 S16 -","4","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.073","0.0378","","","0.0924","0.1243","","","","","","1.116","","","","has coordinates,has disorder","179670","2020-10-21","18:00:00",""
"4512392","11.9075","0.0005","12.0382","0.0005","19.6302","0.0007","94.01","0.001","94.081","0.001","113.269","0.001","2563.65","0.18","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C41.8 H50.8 Cl0.4 Cu4 I4 N0.8 O6 S4 -","- C41.8 H50.8 Cl0.4 Cu4 I4 N0.8 O6 S4 -","- C83.6 H101.6 Cl0.8 Cu8 I8 N1.6 O12 S8 -","2","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0562","0.0416","","","0.1095","0.1278","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512393","17.1748","0.001","14.8738","0.0009","17.6476","0.001","90","","90","","90","","4508.2","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cu I O3 S2 -","- C21 H26 Cu I O3 S2 -","- C168 H208 Cu8 I8 O24 S16 -","8","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0875","0.0602","","","0.1391","0.1587","","","","","","1.09","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512394","10.9164","0.0008","16.9206","0.0012","12.5108","0.0009","90","","90.632","0.001","90","","2310.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cu I O2 S3 -","- C21 H26 Cu I O2 S3 -","- C84 H104 Cu4 I4 O8 S12 -","4","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0426","0.0382","","","0.0748","0.076","","","","","","1.332","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512395","8.7385","0.0007","11.8613","0.0009","13.8704","0.0011","108.661","0.001","91.514","0.001","109.843","0.001","1266.42","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Hg2 I4 O6 S4 -","- C42 H52 Hg2 I4 O6 S4 -","- C42 H52 Hg2 I4 O6 S4 -","1","0.5","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0234","0.021","","","0.051","0.052","","","","","","1.073","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512396","18.1835","0.0008","7.67","0.0003","18.3764","0.0008","90","","92.201","0.001","90","","2561.02","0.19","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Hg I2 O2 S3 -","- C21 H26 Hg I2 O2 S3 -","- C84 H104 Hg4 I8 O8 S12 -","4","1","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0584","0.0391","","","0.0867","0.0964","","","","","","1.03","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512397","19.8176","0.0013","11.1889","0.0007","14.1296","0.0013","90","","90","","90","","3133.1","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C25 H26 Hg2 N4 O3 S6 -","- C25 H26 Hg2 N4 O3 S6 -","- C100 H104 Hg8 N16 O12 S24 -","4","0.5","","Kim, Hyun Jee; Park, In-Hyeok; Lee, Ji-Eun; Park, Ki-Min; Lee, Shim Sung","Supramolecular Silver(I), Copper(I), and Mercury(II) Complexes with Thiamacrocycles Exhibiting Different Types of Endo- or Exocoordination Modes: From Monomer and Dimer to One-Dimensional and Two-Dimensional Polymers","Crystal Growth & Design","2014","14","12","6269","","10.1021/cg500966z","","","0.71073","MoKα","","0.0931","0.0427","","","0.0922","0.1132","","","","","","1.005","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512398","8.202","0.005","10.383","0.007","10.07","0.007","90","","94.826","0.01","90","","854.5","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N Nd O7 P2 -","- C3 H8 N Nd O7 P2 -","- C12 H32 N4 Nd4 O28 P8 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D Lanthanide Phosphonates: Syntheses, Crystal Structure, Thermal Stability, Luminescence, and Magnetism","Crystal Growth & Design","2014","14","12","6197","","10.1021/cg501355t","","","0.71073","MoKα","","0.074","0.0688","","","0.1881","0.1905","","","","","","1.265","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512399","9.965","0.004","8.17","0.003","10.155","0.004","90","","90","","90","","826.8","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H8 N O7 P2 Tb -","- C3 H8 N O7 P2 Tb -","- C12 H32 N4 O28 P8 Tb4 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D Lanthanide Phosphonates: Syntheses, Crystal Structure, Thermal Stability, Luminescence, and Magnetism","Crystal Growth & Design","2014","14","12","6197","","10.1021/cg501355t","","","0.71073","MoKα","","0.0259","0.0251","","","0.0652","0.0655","","","","","","1.098","","","","has coordinates","179670","2020-10-21","18:00:00",""
"4512400","9.9759","0.0014","8.2021","0.0017","10.2816","0.0016","90","","90","","90","","841.3","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H8 N O7 P2 Sm -","- C3 H8 N O7 P2 Sm -","- C12 H32 N4 O28 P8 Sm4 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D Lanthanide Phosphonates: Syntheses, Crystal Structure, Thermal Stability, Luminescence, and Magnetism","Crystal Growth & Design","2014","14","12","6197","","10.1021/cg501355t","","","0.71073","MoKα","","0.0291","0.0284","","","0.065","0.0653","","","","","","1.048","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512401","9.9906","0.001","8.1942","0.0009","10.2599","0.0012","90","","90","","90","","839.93","0.16","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H8 Eu N O7 P2 -","- C3 H8 Eu N O7 P2 -","- C12 H32 Eu4 N4 O28 P8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D Lanthanide Phosphonates: Syntheses, Crystal Structure, Thermal Stability, Luminescence, and Magnetism","Crystal Growth & Design","2014","14","12","6197","","10.1021/cg501355t","","","0.71073","MoKα","","0.0302","0.029","","","0.0692","0.0698","","","","","","1.067","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512402","25.07","0.005","12.353","0.002","17.111","0.003","90","","122.56","0.03","90","","4466","2","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","brucine 3.86-hydrate","brucine 3.86-hydrate","","- C23 H33.67 N2 O7.86 -","- C23 H32.717 N2 O7.855 -","- C184 H261.736 N16 O62.84 -","8","2","","Białońska, Agata; Ciunik, Zbigniew; Ilczyszyn, Maria M.; Siczek, Miłosz","Discrete Cuboidal 15- and 16-Membered Water Clusters in Brucine 3.86-Hydrate, Water Release and Its Consequences","Crystal Growth & Design","2014","14","12","6537","","10.1021/cg501437g","","","0.71073","MoKα","","0.0704","0.0432","","","0.0787","0.0877","","","","","","0.922","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512403","8.323","0.002","12.764","0.003","10.191","0.002","90","","115.88","0.02","90","","974.1","0.4","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","anhydrous brucine","anhydrous brucine","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C46 H52 N4 O8 -","2","1","","Białońska, Agata; Ciunik, Zbigniew; Ilczyszyn, Maria M.; Siczek, Miłosz","Discrete Cuboidal 15- and 16-Membered Water Clusters in Brucine 3.86-Hydrate, Water Release and Its Consequences","Crystal Growth & Design","2014","14","12","6537","","10.1021/cg501437g","","","0.71073","MoKα","","0.3255","0.048","","","0.0444","0.0707","","","","","","0.673","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512404","28.5893","0.001","41.9618","0.0015","12.0642","0.0004","90","","90","","90","","14472.9","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H82 Cd N10 O8 -","- C56 H42 Cd N6 O2 -","- C448 H336 Cd8 N48 O16 -","8","1","","Qin, Ling; Jia, Hai-Lang; Guo, Zi-Jian; Zheng, He-Gen","Molecular Tectonics of Four-Connected Network Topologies by Regulating the Ratios of Tetrahedral and Square-Planar Building Units","Crystal Growth & Design","2014","14","12","6607","","10.1021/cg501508e","","","0.71073","MoKα","","0.0728","0.0448","","","0.1263","0.1318","","","","","","0.952","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4512405","8.8305","0.0006","19.9787","0.0015","25.7425","0.0019","90","","96.821","0.001","90","","4509.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H41 Cd N4 O5 -","- C52 H41 Cd N4 O5 -","- C208 H164 Cd4 N16 O20 -","4","1","","Qin, Ling; Jia, Hai-Lang; Guo, Zi-Jian; Zheng, He-Gen","Molecular Tectonics of Four-Connected Network Topologies by Regulating the Ratios of Tetrahedral and Square-Planar Building Units","Crystal Growth & Design","2014","14","12","6607","","10.1021/cg501508e","","","0.71073","MoKα","","0.0631","0.0431","","","0.1072","0.1121","","","","","","1.029","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4512406","13.7355","0.0012","40.624","0.004","20.8303","0.0019","90","","90","","90","","11623.1","1.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C51 H55 N6 O10 Zn -","- C42 H28 N4 O4 Zn -","- C336 H224 N32 O32 Zn8 -","8","1","","Qin, Ling; Jia, Hai-Lang; Guo, Zi-Jian; Zheng, He-Gen","Molecular Tectonics of Four-Connected Network Topologies by Regulating the Ratios of Tetrahedral and Square-Planar Building Units","Crystal Growth & Design","2014","14","12","6607","","10.1021/cg501508e","","","0.71073","MoKα","","0.1178","0.0782","","","0.2045","0.218","","","","","","1.055","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4513661","12.3353","0.0013","7.9515","0.0008","14.7011","0.0016","90","","113.236","0.01","90","","1325","0.3","210.01","0.1","210.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 B F4 I N2 -","- C10 H10 B F4 I N2 -","- C40 H40 B4 F16 I4 N8 -","4","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","x-ray","0.7107","MoKα","","0.1488","0.0386","","","0.0873","0.1331","","","","1.48","1.48","1.2","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4513662","12.4327","0.0008","8.0829","0.0005","14.8445","0.0012","90","0.006","113.272","0.007","90","0.005","1370.39","0.18","250","","250","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl I N2 O4 -","- C10 H10 Cl I N2 O4 -","- C40 H40 Cl4 I4 N8 O16 -","4","0.5","","Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.","Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.","Crystal Growth & Design","2014","14","12","6294","6301","10.1021/cg500983s","","x-ray","0.6889","X-ray","","0.1039","0.0767","","","0.1195","0.1262","","","","4.19","4.19","3.41","","","","has coordinates","210387","2020-10-21","18:00:00",""
"4514610","6.072","","13.299","","16.147","","73.2","","82.66","","78.95","","1221.46","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O8 -","- C25 H29 N O8 -","- C50 H58 N2 O16 -","2","1","","Gerlach, Erica M.; Korkmaz, Melissa A.; Pavlinov, Ivan; Gao, Qiwen; Aldrich, Leslie N.","Systematic Diversity-Oriented Synthesis of Reduced Flavones from γ-Pyrones to Probe Biological Performance Diversity.","ACS chemical biology","2019","14","7","1536","1545","10.1021/acschembio.9b00294","","","0.71073","MoKα","","0.1885","0.1087","","","0.2489","0.2746","","","","","","1.558","","","","has coordinates,has disorder","301843","2025-08-21","01:58:44",""
"4515456","12.4957","0.0018","12.624","0.0017","14.069","0.002","77.346","0.007","86.013","0.008","76.532","0.007","2105.5","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","rl021","","","- C50 H42 F2 N6 O4 Zn -","- C50 H42 F2 N6 O4 Zn -","- C100 H84 F4 N12 O8 Zn2 -","2","1","","Vaden, Rachel M.; Guillen, Katrin P.; Salvant, Justin M.; Santiago, Celine B.; Gibbons, Joseph B.; Pathi, Satya S.; Arunachalam, Sasi; Sigman, Matthew S.; Looper, Ryan E.; Welm, Bryan E.","A Cancer-Selective Zinc Ionophore Inspired by the Natural Product Naamidine A.","ACS chemical biology","2019","14","1","106","117","10.1021/acschembio.8b00977","","","0.71073","MoKα","","0.0546","0.0375","","","0.0941","0.0992","","","","","","1.084","","","","has coordinates,has disorder","225610","2020-10-21","18:00:00",""
"4517060","40.457","0.005","3.9423","0.0006","10.2361","0.0014","90","","91.359","0.012","90","","1632.1","0.4","292","2","292","2","","","","","","","see text","4","C 1 2 1","C 2y","5","","7,9-di(thiophen-2-yl)-8H-cyclopenta[a]acenaphthylen-8-one","","- C23 H12 O S2 -","- C23 H12 O S2 -","- C92 H48 O4 S8 -","4","1","","Bai, Monalisa; Thomas, Sajesh P.; Kottokkaran, Ranjith; Nayak, Susanta K.; Ramamurthy, Praveen C.; Guru Row, T. N.","A Donor–Acceptor–Donor Structured Organic Conductor with S···S Chalcogen Bonding","Crystal Growth & Design","2014","14","2","459","","10.1021/cg401069y","","x-ray","0.71073","MoKα","","0.1221","0.0882","","","0.2207","0.2477","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517076","6.9834","0.0004","22.5744","0.001","8.9244","0.0006","90","","100.225","0.006","90","","1384.55","0.14","298","2","298","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid–Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.1209","0.0686","","","0.1128","0.144","","","","","","1.013","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517077","6.9342","0.0005","22.5168","0.001","8.935","0.0006","90","","100.661","0.007","90","","1370.99","0.15","250","2","250","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid–Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.0963","0.0623","","","0.0995","0.1173","","","","","","1.019","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517078","6.8902","0.0005","22.481","0.0009","8.9485","0.0005","90","","101.021","0.006","90","","1360.55","0.14","200","2","200","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid–Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.0851","0.0605","","","0.1049","0.1188","","","","","","1.012","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517079","6.8714","0.0004","22.4993","0.0013","8.9878","0.0004","90","","101.362","0.005","90","","1362.3","0.13","150","2","150","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid–Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.077","0.0577","","","0.1029","0.1141","","","","","","1.02","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517080","6.8406","0.0004","22.4497","0.0009","8.9864","0.0005","90","","101.49","0.005","90","","1352.38","0.12","120","2","120","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid–Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.074","0.0565","","","0.1036","0.1151","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517081","6.8278","0.0004","22.4357","0.0008","8.9943","0.0005","90","","101.65","0.005","90","","1349.42","0.12","100","2","100","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","gallic acid isoniazid dihydrate","3,4,5-trihydroxybenzoic acid:isonicotinic acid hydrazide dihydrate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid–Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.0711","0.0549","","","0.1058","0.116","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517082","8.6468","0.0009","11.9143","0.0009","13.3865","0.001","94.405","0.006","99.33","0.007","108.945","0.008","1274.7","0.2","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","gallic acid isoniazid","","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C52 H52 N12 O24 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid–Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.0876","0.0538","","","0.1135","0.1314","","","","","","0.993","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517083","8.7747","0.0011","11.9694","0.0012","13.4401","0.0012","93.376","0.008","98.452","0.009","107.854","0.01","1320.9","0.3","433","2","433","2","","","","","","","see text","4","P -1","-P 1","2","gallic acid isoniazid","","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C52 H52 N12 O24 -","4","2","","Kaur, Ramanpreet; Perumal, S. S. R. R.; Bhattacharyya, Aninda J.; Yashonath, S.; Guru Row, T. N.","Structural Insights into Proton Conduction in Gallic Acid–Isoniazid Cocrystals","Crystal Growth & Design","2014","14","2","423","","10.1021/cg4018807","","x-ray","0.71073","MoKα","","0.146","0.0846","","","0.2127","0.2491","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4517084","8.7921","0.0003","18.1758","0.0006","8.9442","0.0003","90","","98.5197","0.0004","90","","1413.54","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Ag N2 O7 U -","- C12 H9 Ag N2 O7 U -","- C48 H36 Ag4 N8 O28 U4 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","Postsynthetic Rearrangement/Metalation as a Route to Bimetallic Uranyl Coordination Polymers: Syntheses, Structures, and Luminescence","Crystal Growth & Design","2014","14","4","1914","","10.1021/cg500050q","","x-ray","0.71073","MoKα","","0.0245","0.0217","","","0.05","0.0508","","","","","","1.157","","","","has coordinates","239735","2020-10-21","18:00:00",""
"4517085","8.6901","0.0011","10.6622","0.0014","10.7588","0.0014","71.659","0.002","80.212","0.002","84.494","0.002","931.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H12 Cl Cu N2 O11 U2 -","- C12 H8 Cl Cu N2 O11 U2 -","- C24 H16 Cl2 Cu2 N4 O22 U4 -","2","1","","Kerr, Andrew T.; Cahill, Christopher L.","Postsynthetic Rearrangement/Metalation as a Route to Bimetallic Uranyl Coordination Polymers: Syntheses, Structures, and Luminescence","Crystal Growth & Design","2014","14","4","1914","","10.1021/cg500050q","","x-ray","0.71073","MoKα","","0.0558","0.0423","","","0.0919","0.0969","","","","","","0.994","","","","has coordinates","239735","2020-10-21","18:00:00",""
"4517086","27.122","0.004","11.1223","0.0015","13.543","0.0018","90","","90","","90","","4085.4","1","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C36 H32 Cu2 N6 O18 U -","- C36 H28 Cu2 N6 O18 U -","- C144 H112 Cu8 N24 O72 U4 -","4","0.25","","Kerr, Andrew T.; Cahill, Christopher L.","Postsynthetic Rearrangement/Metalation as a Route to Bimetallic Uranyl Coordination Polymers: Syntheses, Structures, and Luminescence","Crystal Growth & Design","2014","14","4","1914","","10.1021/cg500050q","","x-ray","0.71073","MoKα","","0.0666","0.0364","","","0.091","0.1057","","","","","","0.987","","","","has coordinates,has disorder","239735","2020-10-21","18:00:00",""
"4517087","6.8789","0.0003","17.7009","0.0008","11.7679","0.0006","90","","105.11","0.002","90","","1383.35","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Ag N3 O3 P -","- C8 H16 Ag N3 O3 P -","- C32 H64 Ag4 N12 O12 P4 -","4","1","","Jaros, Sabina W.; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Oliveira, M. Conceição; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Aliphatic Dicarboxylate Directed Assembly of Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Networks: Topological Versatility and Antimicrobial Activity","Crystal Growth & Design","2014","14","11","5408","","10.1021/cg500557r","","","0.71069","MoKα","","0.0916","0.0817","","","0.1796","0.1829","","","","","","1.154","","","","has coordinates","239736","2020-10-21","18:00:00",""
"4517088","26.089","0.003","6.8425","0.0007","18.7014","0.0019","90","","127.053","0.002","90","","2664.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H20 Ag N3 O4 P -","- C9 H20 Ag N3 O4 P -","- C72 H160 Ag8 N24 O32 P8 -","8","1","","Jaros, Sabina W.; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Oliveira, M. Conceição; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Aliphatic Dicarboxylate Directed Assembly of Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Networks: Topological Versatility and Antimicrobial Activity","Crystal Growth & Design","2014","14","11","5408","","10.1021/cg500557r","","","0.71073","MoKα","","0.0514","0.039","","","0.0916","0.0974","","","","","","1.054","","","","has coordinates,has disorder","239736","2020-10-21","18:00:00",""
"4517089","7.1411","0.0007","12.8457","0.0012","14.2823","0.0014","90","","90","","90","","1310.2","0.2","150","2","150","2","","","","","","","","6","A e m 2","A 2 -2b","39","","","","- C9 H14 Ag2 N3 O4 P -","- C9 H14 Ag2 N3 O4 P -","- C36 H56 Ag8 N12 O16 P4 -","4","0.5","","Jaros, Sabina W.; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Oliveira, M. Conceição; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.","Aliphatic Dicarboxylate Directed Assembly of Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Networks: Topological Versatility and Antimicrobial Activity","Crystal Growth & Design","2014","14","11","5408","","10.1021/cg500557r","","","0.71073","MoKα","","0.0246","0.0237","","","0.0563","0.0569","","","","","","1.089","","","","has coordinates","239736","2020-10-21","18:00:00",""
"4517090","45.3447","0.0007","45.3447","0.0007","11.2994","0.0003","90","","90","","90","","23233.2","0.8","122.8","0.5","122.8","0.5","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H38 Cu N8 Nd2 O25 -","- C48 H38 Cu N8 Nd2 O25 -","- C768 H608 Cu16 N128 Nd32 O400 -","16","1","","Liu, Ke; Zhou, Jing-Min; Li, Hui-Min; Xu, Na; Cheng, Peng","A Series of CuII‒LnIII Metal‒Organic Frameworks Based on 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6409","","10.1021/cg5012617","","","0.71073","MoKα","","0.0621","0.0391","","","0.0825","0.0892","","","","","","1.025","","","","has coordinates","239737","2020-10-21","18:00:00",""
"4517091","11.2835","0.0003","22.3634","0.0007","27.3143","0.0014","90","","99.148","0.004","90","","6804.8","0.5","120","","120","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H42 Cu2 Eu2 N10 O35 -","- C60 H42 Cu2 Eu2 N10 O35 -","- C240 H168 Cu8 Eu8 N40 O140 -","4","1","","Liu, Ke; Zhou, Jing-Min; Li, Hui-Min; Xu, Na; Cheng, Peng","A Series of CuII‒LnIII Metal‒Organic Frameworks Based on 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6409","","10.1021/cg5012617","","","0.71073","MoKα","","0.0981","0.0592","","","0.1203","0.1501","","","","","","1.075","","","","has coordinates","239737","2020-10-21","18:00:00",""
"4517092","11.252","0.001","22.3034","0.0009","27.1573","0.0015","90","","98.299","0.006","90","","6744","0.8","125.1","0.2","125.1","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H42 Cu2 N10 O35 Tb2 -","- C60 H42 Cu2 N10 O35 Tb2 -","- C240 H168 Cu8 N40 O140 Tb8 -","4","1","","Liu, Ke; Zhou, Jing-Min; Li, Hui-Min; Xu, Na; Cheng, Peng","A Series of CuII‒LnIII Metal‒Organic Frameworks Based on 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6409","","10.1021/cg5012617","","","0.71073","MoKα","","0.0857","0.0711","","","0.1789","0.1914","","","","","","1.072","","","","has coordinates,has disorder","239737","2020-10-21","18:00:00",""
"4517093","12.1832","0.0009","14.8529","0.0009","15.197","0.0009","92.957","0.005","105.125","0.006","110.694","0.006","2451.8","0.3","124.6","0.1","124.6","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cu3 Dy N9 O25 -","- C48 H36 Cu3 Dy N9 O25 -","- C96 H72 Cu6 Dy2 N18 O50 -","2","1","","Liu, Ke; Zhou, Jing-Min; Li, Hui-Min; Xu, Na; Cheng, Peng","A Series of CuII‒LnIII Metal‒Organic Frameworks Based on 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures, and Magnetic Properties","Crystal Growth & Design","2014","14","12","6409","","10.1021/cg5012617","","","0.71073","MoKα","","0.1268","0.1136","","","0.2738","0.2825","","","","","","1.078","","","","has coordinates","239737","2020-10-21","18:00:00",""
"4519274","53.477","0.004","8.4509","0.0006","8.4407","0.0005","90","","90","","90","","3814.6","0.5","284","2","284","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C12 H38 Br12 N4 Pb3 -","- C12 H38 Br12 N4 Pb3 -","- C48 H152 Br48 N16 Pb12 -","4","1","","Li, Dong; Shang, Xiaoying; Wu, Wentao; Li, Xiaoqi; Xu, Zhijin; Li, Lina; Hong, Maochun; Chen, Xueyuan; Luo, Junhua","Unprecedented Self-Powered Visible-Infrared Dual-Modal Photodetection Induced by a Bulk Photovoltaic Effect in a Polar Perovskite.","ACS applied materials & interfaces","2022","14","4","5608","5614","10.1021/acsami.1c21262","","","0.71073","MoKα","","0.1231","0.0674","","","0.1703","0.207","","","","","","0.99","","","","has coordinates","272444","2022-02-03","20:01:44",""
"4519275","32.603","0.012","32.603","0.012","16.679","0.008","90","","90","","120","","15354","11","150","2","150","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C48 H24 Mn2 N4 O11.67 V -","- C48 H24 Mn2 N4 O11.6667 V -","- C144 H72 Mn6 N12 O35 V3 -","3","0.125","","Wang, Yefei; Zhao, Liang; Ji, Guanfeng; He, Cheng; Liu, Songtao; Duan, Chunying","Vanadium(V<sup>IV</sup>)-Porphyrin-Based Metal-Organic Frameworks for Synergistic Bimetallic Activation of Inert C(sp<sup>3</sup>)-H Bonds.","ACS applied materials & interfaces","2022","14","2","2794","2804","10.1021/acsami.1c20420","","","0.71073","MoKα","","0.1975","0.1362","","","0.2987","0.3123","","","","","","1.338","","","","has coordinates","272445","2022-02-03","20:02:18",""
"4519276","21.8128","0.0003","21.8128","0.0003","16.9894","0.0004","90","","90","","120","","7000.5","0.2","283","","283","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","","","- C132 Nd4.17 O36.77 Yb5.9 -","- C132 Nd4.023 O36.5708 Yb5.647 -","- C132 Nd4.023 O36.5708 Yb5.647 -","1","0.166667","","Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F.","Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics.","ACS applied materials & interfaces","2022","14","2","3038","3047","10.1021/acsami.1c20432","","","1.54178","CuKα","","0.0957","0.0735","","","0.2067","0.2415","","","","","","1.095","","","","has coordinates,has disorder","272446","2022-02-03","20:03:14",""
"4519277","22.29","0.0006","22.29","0.0006","16.495","0.0008","90","","90","","120","","7097.5","0.4","150","","150","","","","","","","","","5","P 3 m 1","P 3 -2""","156","","","","- C132 Eu5.8 Nd3.2 O45.68 Yb0.32 -","- C132 Eu5.85 Nd3.15 O45.74 Yb0.326 -","- C132 Eu5.85 Nd3.15 O45.74 Yb0.326 -","1","0.166667","","Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F.","Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics.","ACS applied materials & interfaces","2022","14","2","3038","3047","10.1021/acsami.1c20432","","","1.54178","CuKα","","0.1149","0.0846","","","0.208","0.2375","","","","","","1.126","","","","has coordinates,has disorder","272447","2022-02-03","20:04:10",""
"4519278","22.3548","0.0006","22.3548","0.0006","16.5163","0.0007","90","","90","","120","","7148","0.4","150","","150","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","Phase 1 Eu TBAP","","- C132 Eu9.09 O44.72 -","- C132 Eu9.092 O44.744 -","- C132 Eu9.092 O44.744 -","1","0.166667","","Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F.","Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics.","ACS applied materials & interfaces","2022","14","2","3038","3047","10.1021/acsami.1c20432","","","1.54178","CuKα","","0.0615","0.052","","","0.1403","0.1505","","","","","","1.073","","","","has coordinates,has disorder","272448","2022-02-03","20:05:19",""
"4519279","21.7387","0.0006","21.7387","0.0006","16.9015","0.0008","90","","90","","120","","6917.1","0.4","275","","275","","","","","","","","","3","P 3 m 1","P 3 -2""","156","","","","- C132 O45.32 Yb9.76 -","- C132 O45.326 Yb9.768 -","- C132 O45.326 Yb9.768 -","1","0.166667","","Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F.","Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics.","ACS applied materials & interfaces","2022","14","2","3038","3047","10.1021/acsami.1c20432","","","1.54178","CuKα","","0.0741","0.0605","","","0.1654","0.1835","","","","","","1.046","","","","has coordinates,has disorder","272449","2022-02-03","20:06:23",""
"4519280","11.8574","0.0005","12.9781","0.0006","17.527","0.0008","90","","90","","90","","2697.2","0.2","301","2","301","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- Cd2 Cs2 Ga8 S15 -","- Cd2 Cs2 Ga8 S15 -","- Cd8 Cs8 Ga32 S60 -","4","0.5","","Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong","Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.","ACS applied materials & interfaces","2022","14","3","4352","4359","10.1021/acsami.1c23843","","","0.71073","MoKα","","0.0279","0.0257","","","0.0564","0.0569","","","","","","1.016","","","","has coordinates","272450","2022-02-03","20:06:55",""
"4519281","18.194","0.0011","18.5228","0.0011","9.8042","0.0008","90","","90","","90","","3304.1","0.4","299","2","299","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Cd4 Ga3 Rb S9 -","- Cd4 Ga3 Rb S9 -","- Cd32 Ga24 Rb8 S72 -","8","1","","Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong","Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.","ACS applied materials & interfaces","2022","14","3","4352","4359","10.1021/acsami.1c23843","","","0.71073","MoKα","","0.0312","0.03","","","0.0763","0.0767","","","","","","1.087","","","","has coordinates","272451","2022-02-03","20:07:27",""
"4519282","13.0701","0.0003","11.6218","0.0003","12.2714","0.0003","90","","90","","90","","1864","0.08","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cd3 Ga5 K S11 -","- Cd3 Ga5 K S11 -","- Cd12 Ga20 K4 S44 -","4","1","","Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong","Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.","ACS applied materials & interfaces","2022","14","3","4352","4359","10.1021/acsami.1c23843","","","0.71073","MoKα","","0.023","0.0208","","","0.0423","0.0427","","","","","","1.067","","","","has coordinates","272452","2022-02-03","20:07:49",""
"4519320","40.2698","0.001","40.2698","0.001","23.9273","0.001","90","","90","","120","","33603.4","1.8","275","","275","","","","","","","","","4","P 3","P 3","143","","","","- C138 Nd6 O64 Yb6 -","- C138 Nd6 O64 Yb6 -","- C414 Nd18 O192 Yb18 -","3","1","","Sava Gallis, Dorina F.; Butler, Kimberly S.; Pearce, Charles J.; Valdez, Nichole; Rodriguez, Mark A.","Programmable Photoluminescence via Intrinsic and DNA-Fluorophore Association in a Mixed Cluster Heterometallic MOF.","ACS applied materials & interfaces","2022","14","8","10566","10576","10.1021/acsami.1c24477","","","1.54178","CuKα","","0.1833","0.1084","","","0.3154","0.3743","","","","","","1.204","","","","has coordinates,has disorder","273230","2022-03-03","19:53:02",""
"4519321","9.314","0.005","5.943","0.003","13.344","0.008","90","","97.847","0.018","90","","731.7","0.7","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N10 O10 -","- C6 H6 N10 O10 -","- C12 H12 N20 O20 -","2","0.5","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.1555","0.0714","","","0.1764","0.2201","","","","","","1.035","","","","has coordinates","273231","2022-03-03","19:53:44",""
"4519322","8.998","0.0005","4.7624","0.0003","15.5601","0.001","90","","99.744","0.002","90","","657.16","0.07","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 K2 N10 O8 -","- C6 K2 N10 O8 -","- C12 K4 N20 O16 -","2","0.5","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.0349","0.0292","","","0.0734","0.078","","","","","","1.027","","","","has coordinates","273232","2022-03-03","19:54:08",""
"4519323","8.7185","0.0004","10.9411","0.0004","18.8132","0.0007","90","","90","","90","","1794.59","0.12","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H4 N6 O6 -","- C6 H4 N6 O6 -","- C48 H32 N48 O48 -","8","1","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.0502","0.0339","","","0.0795","0.0888","","","","","","1.043","","","","has coordinates","273233","2022-03-03","19:54:29",""
"4519324","7.1996","0.0007","10.1924","0.001","11.2601","0.0011","101.457","0.003","92.636","0.003","99.304","0.003","796.55","0.14","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N12 O10 -","- C6 H12 N12 O10 -","- C12 H24 N24 O20 -","2","1","","Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei","Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials.","ACS applied materials & interfaces","2022","14","8","10594","10604","10.1021/acsami.2c00154","","","0.71073","MoKα","","0.1825","0.0862","","","0.1728","0.2015","","","","","","1.059","","","","has coordinates","273234","2022-03-03","19:54:50",""
"4519325","28.5283","0.0013","28.5283","0.0013","13.6804","0.0006","90","","90","","90","","11134","0.9","298","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C28 H23 N3 O9 Sr -","- C28 H23 N3 O9 Sr -","- C448 H368 N48 O144 Sr16 -","16","1","","Wang, Zhonghe; Zeng, Le; He, Cheng; Duan, Chunying","Metal-Organic Framework-Encapsulated Anthraquinone for Efficient Photocatalytic Hydrogen Atom Transfer.","ACS applied materials & interfaces","2022","14","6","7980","7989","10.1021/acsami.1c22872","","","0.71073","MoKα","","0.0759","0.0479","","","0.1155","0.1245","","","","","","1.147","","","","has coordinates","273235","2022-03-03","19:55:18",""
"4519326","10.0392","0.0001","15.8473","0.0002","18.4586","0.0002","73.212","0.001","86.207","0.001","72.155","0.001","2675.43","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H34 Ca3 N4 O24 -","- C49 H34 Ca3 N4 O24 -","- C98 H68 Ca6 N8 O48 -","2","1","","Li, Wen-Bin; Chen, Xiong-Hai; Chen, Jia-Zhe; Huang, Rong; Ye, Jia-Wen; Chen, Ling; Wang, Hai-Ping; Yang, Tao; Tang, Liu-Yan; Bai, Jie; Mo, Zong-Wen; Chen, Xiao-Ming","Photochromic Metal-Organic Framework for High-Resolution Inkless and Erasable Printing.","ACS applied materials & interfaces","2022","14","6","8458","8463","10.1021/acsami.1c23512","","","1.5478","CuKa","","0.0438","0.0405","","","0.1101","0.1126","","","","","","1.042","","","","has coordinates,has disorder","273236","2022-03-03","19:55:41",""
"4519369","17.105","0.011","28.211","0.018","15.588","0.01","90","","90","","90","","7522","8","298","2","298","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C26 H20 Cu2 F6 N8 O5 Zr -","- C26 H20 Cu2 F6 N8 O5 Zr -","- C104 H80 Cu8 F24 N32 O20 Zr4 -","4","0.25","","Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui","Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap.","ACS applied materials & interfaces","2022","14","11","13550","13559","10.1021/acsami.2c01940","","","0.71073","MoKα","","0.1071","0.0811","","","0.2393","0.2589","","","","","","1.046","","","","has coordinates","274225","2022-04-03","18:52:53",""
"4519370","28.1998","0.0017","16.7324","0.001","15.648","0.001","90","","90","","90","","7383.5","0.8","296","2","296","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C26 H19 Cu2 F6 N8 O5 Ti -","- C26 H20 Cu2 F6 N8 O5 Ti -","- C104 H80 Cu8 F24 N32 O20 Ti4 -","4","0.25","","Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui","Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap.","ACS applied materials & interfaces","2022","14","11","13550","13559","10.1021/acsami.2c01940","","","0.71073","MoKα","","0.055","0.0424","","","0.1451","0.1513","","","","","","1.092","","","","has coordinates","274226","2022-04-03","18:53:28",""
"4519371","28.295","0.004","16.336","","15.6802","0.0017","90","","90","","90","","7247.8","1.3","273","2","273","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C26 H20 Cu2 F6 N8 O5 Si -","- C26 H20 Cu2 F6 N8 O5 Si -","- C104 H80 Cu8 F24 N32 O20 Si4 -","4","0.25","","Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui","Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap.","ACS applied materials & interfaces","2022","14","11","13550","13559","10.1021/acsami.2c01940","","","0.71073","MoKα","","0.0934","0.0531","","","0.0941","0.0973","","","","","","1.036","","","","has coordinates","274227","2022-04-03","18:54:02",""
"4519372","38.087","0.004","38.087","0.004","16.6075","0.0018","90","","90","","90","","24091","4","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C54 H45 N4 O15 P4 U -","- C54 H45 N4 O15 P4 U -","- C864 H720 N64 O240 P64 U16 -","16","1","","Zhao, Hongxia; Qi, Chao; Yan, Xuewu; Ji, Jinyan; Chai, Zhifang; Wang, Shuao; Zheng, Tao","A Multifunctional Porous Uranyl Phosphonate Framework for Cyclic Utilization: Salvages, Uranyl Leaking Prevention, and Fluorescent Sensing.","ACS applied materials & interfaces","2022","14","12","14380","14387","10.1021/acsami.2c01671","","","0.71073","MoKα","","0.0452","0.0352","","","0.0922","0.0982","","","","","","1.074","","","","has coordinates","274228","2022-04-03","18:54:45",""
"4519373","13.832","","12.061","","17.097","","90","","90","","90","","2852.25","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Br2 Cu N -","- C10 H22 Br2 Cu N -","- C80 H176 Br16 Cu8 N8 -","8","1","","Xu, Tingting; Li, Yunyun; Nikl, Martin; Kucerkova, Romana; Zhou, Zhengyang; Chen, Jie; Sun, Yi-Yang; Niu, Guangda; Tang, Jiang; Wang, Qian; Ren, Guohao; Wu, Yuntao","Lead-Free Zero-Dimensional Organic-Copper(I) Halides as Stable and Sensitive X-ray Scintillators.","ACS applied materials & interfaces","2022","14","12","14157","14164","10.1021/acsami.1c23839","","x-ray","0.71073","MoKα","","0.0976","0.0383","","","0.0592","0.0708","","","","","","1.025","","","","has coordinates","274229","2022-04-03","18:55:16",""
"4519374","9.3658","0.0009","18.3538","0.0014","13.6212","0.0012","90","","102.217","0.009","90","","2288.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br2 Cu P -","- C24 H20 Br2 Cu P -","- C96 H80 Br8 Cu4 P4 -","4","1","","Xu, Tingting; Li, Yunyun; Nikl, Martin; Kucerkova, Romana; Zhou, Zhengyang; Chen, Jie; Sun, Yi-Yang; Niu, Guangda; Tang, Jiang; Wang, Qian; Ren, Guohao; Wu, Yuntao","Lead-Free Zero-Dimensional Organic-Copper(I) Halides as Stable and Sensitive X-ray Scintillators.","ACS applied materials & interfaces","2022","14","12","14157","14164","10.1021/acsami.1c23839","","","0.71073","MoKα","","0.0793","0.0399","","","0.0662","0.0775","","","","","","1.031","","","","has coordinates","274230","2022-04-03","18:55:41",""
"5000099","4.398","0.001","9.329","0.003","5.436","0.001","90","","90","","90","","223","","","","","","","","6250000","","","","","3","P b n m","-P 2c 2ab","62","","Dialuminium beryllate","Chrysoberyl","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","","Hazen, R M","High-pressure crystal chemistry of chrysoberyl, Al2 Be O4: insights on the origin of olivine elastic anisotropy","Physics and Chemistry of Minerals (Germany)","1987","14","","13","20","10.1007/BF00311143","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"6000205","15.265","","20.524","","3.99","","90","","90","","90","","1250.06","","","","","","","","","","","","","3","P 21 21 21","","","","","","- C18 H12 O2 -","","","","","","Yatsenko, A. V.; Chernyshev, V. V.; Zhukov, S. G.; Sonneveld, E. J.; Schenk, H.","Crystal structure of 3-methoxybenzanthrone from X-ray powder diffraction","Powder Diffraction","1999","14","","133","135","10.1017/S0885715600010447","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000221","11.599","","11.55","","8.575","","90","","110.76","","90","","1074.19","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H12 N4 O4 -","- C9 H12 N4 O4 -","- C36 H48 N16 O16 -","4","1","","Chernyshev, V. V.; Yatsenko, A. V.; Tafeenko, V. A.; Sonneveld, E. J.; Schenk, H.; Makarov, V. A.","Crystal and molecular structure of 1-amino-4-methoxycarbonyl-3-methyl-8-oxopyrazolo[1,5-a]pyrimidine monohydrate from laboratory powder data","Powder Diffraction","1999","14","","289","292","10.1017/S0885715600010708","","","","","","","","","","","","","","","","","","","","","has coordinates","301845","2025-08-21","10:22:19",""
"6000241","3.3285","","3.3285","","58.127","","90","","90","","120","","557.71","","","","","","","","","","","","","3","R -3 m","","","","","","- In2 O8 Zn5 -","","","","","","Pitschke, W.; Koumoto, K.","Powder diffraction data and Rietveld refinement for Y-doped (ZnO)(5)In2O3","Powder Diffraction","1999","14","","213","218","10.1017/S0885715600010551","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000242","3.3505","","3.3505","","57.863","","90","","90","","120","","562.54","","","","","","","","","","","","","4","R -3 m","","","","","","- In1.6 O8 Y0.4 Zn5 -","","","","","","Pitschke, W.; Koumoto, K.","Powder diffraction data and Rietveld refinement for Y-doped (ZnO)(5)In2O3","Powder Diffraction","1999","14","","213","218","10.1017/S0885715600010551","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000289","12.426","0.002","12.173","0.002","6.656","0.001","90","","100.19","0.01","90","","991","0.2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 N3 O3 -","","","4","1","","De Armas, H. N.; Hernandez, R. G.; Rivera, A. B.; Hernandez, R. P.; Martinez, I. H.","Crystal pseudopolymorphism of secnidazole bulk drug, C7H11N3O3","Powder Diffraction","1999","14","","136","141","10.1017/S0885715600010459","","","","","","","","","","","","","","","","","","","","","","203339","2020-10-21","18:00:00",""
"6000331","7.383","","7.3226","","7.3444","","90","","120.233","","90","","343.05","","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- Ni0.5 O5 P Ti -","","","","","","Gravereau, P.; Chaminade, J. P.; Manoun, B.; Krimi, S.; El, Jazouli A","Ab initio determination and Rietveld refinement of the crystal structure of Ni0.50TiO(PO4)","Powder Diffraction","1999","14","","10","15","10.1017/S088571560001023X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000332","10.032","","10.032","","10.032","","90","","90","","90","","1009.63","","","","","","","","","","","","","4","Fm3m","","","","","","- C12 Co2 Cu3 N12 -","","","","","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+","Powder Diffraction","1999","14","","25","30","10.1017/S0885715600010265","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000333","10.413","","10.413","","10.413","","90","","90","","90","","1129.09","","","","","","","","","","","","","4","Fm3m","","","","","","- C12 Co2 Mn3 N12 -","","","","","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+","Powder Diffraction","1999","14","","25","30","10.1017/S0885715600010265","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000334","10.234","","10.234","","10.234","","90","","90","","90","","1071.86","","","","","","","","","","","","","5","Fm3m","","","","","","- C6 Fe K N6 Ni -","","","","","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+","Powder Diffraction","1999","14","","25","30","10.1017/S0885715600010265","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000335","10.108","","10.104","","10.114","","90","","92.93","","90","","1031.6","","","","","","","","","","","","","7","P 1 21/c 1","","","","","","- C6 H4 Fe K Mn N6 O2 -","","","","","","Malecki, G.; Ratuszna, A.","Crystal structure of cyanometallates Me-3[Co(CN)(6)](2) and KMe[Fe(CN)(6)] with Me = Mn2+, Ni2+ Cu2+","Powder Diffraction","1999","14","","25","30","10.1017/S0885715600010265","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000412","5.604","0.001","18.56","0.004","10.006","0.002","90","","102.19","0.03","90","","1017.26","","","","","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C14 H16 Ca O15 S2 -","- C14 H16 Ca O15 S2 -","- C28 H32 Ca2 O30 S4 -","2","1","","Li, Y.-Q.; Deng, L.-Z.; Zhou, X.-H.; Zhang, S.-H.","The crystal structure and the second harmonic generation efficiency of the sulfosalicylate","Acta Physico-chimica Sinica","1998","14","9","778","783","10.3866/PKU.WHXB19980903","","","","","","0.0244","","","0.032","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000413","25.841","0.005","12.186","0.002","7.739","0.002","90","","90","","90","","2437","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H8 K2 O8 S -","- C7 H8 K2 O8 S -","- C56 H64 K16 O64 S8 -","8","1","","Li, Y.-Q.; Deng, L.-Z.; Zhou, X.-H.; Zhang, S.-H.","The crystal structure and the second harmonic generation efficiency of the sulfosalicylate","Acta Physico-chimica Sinica","1998","14","9","778","783","10.3866/PKU.WHXB19980903","","","","","","0.0308","","","0.0373","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000771","14.471","","9.6","","11.948","","90","","93.21","","90","","1657.23","","","","","","","","","","","","","5","P 1 21/n 1","","","","","","- C18 H24 Cl N O2 -","","","","","","Henao, J. A.; Palma, A.; Kouznetsov, V. V.; Delgado, J. M.","X-ray powder diffraction data for two new N-substituted 3,4-dihydrospiro-2(1 H) quinolines","Powder Diffraction","1999","14","","249","252","10.1017/S0885715600010617","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000772","14.487","","9.878","","11.39","","90","","91.66","","90","","1629.25","","","","","","","","","","","","","5","P 1 21/n 1","","","","","","- C17 H21 Cl2 N O -","","","","","","Henao, J. A.; Palma, A.; Kouznetsov, V. V.; Delgado, J. M.","X-ray powder diffraction data for two new N-substituted 3,4-dihydrospiro-2(1 H) quinolines","Powder Diffraction","1999","14","","249","252","10.1017/S0885715600010617","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000773","17.356","0.006","3.528","0.001","11.285","0.001","90","","93.23","0.02","90","","1912.6","","","","","","","","","","","","","4","","","","","","","- C5 H7 N5 O3 -","","","4","","","Tettenhorst, R. T.; Gerkin, R. E.","X-ray powder diffraction data for ammonium hydrogen (acid) urate, NH4C5H3N4O3","Powder Diffraction","1999","14","","305","307","10.1017/S0885715600010745","","","","","","","","","","","","","","","","","","","","","","203577","2020-10-21","18:00:00",""
"6000778","16.01","","16.01","","16.01","","90","","90","","90","","4103.69","","","","","","","","","","","","","5","","","","","","","- H23.4 Na3.6 O29 P2 V5 -","","","","","","Pang, G. S.; Feng, S. H.; Xu, R. R.","Hydrothermal synthesis and structural characterization of a novel mixed valence sodium vanadium (IV,V) phosphate Na3.6H1.4P2V5O18 .11H(2)O","Chemical Research in Chinese Universities","1998","14","","351","355","","","","","","","","","","","","","","","","","","","","","","","208465","2020-10-21","18:00:00",""
"7154726","23.8959","0.0008","5.8737","0.0002","27.367","0.001","90","","111.579","0.0013","90","","3571.9","0.2","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F N2 -","- C23 H21 F N2 -","- C184 H168 F8 N16 -","8","2","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","anti-Selective aminofluorination of alkenes with amidines mediated by hypervalent iodine(iii) reagents.","Organic & biomolecular chemistry","2016","14","24","5481","5485","10.1039/c5ob01854d","","","0.71073","MoKα","","0.0846","0.0547","","","0.1238","0.1447","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:25",""
"7154733","11.2256","0.0013","19.596","0.003","7.9601","0.0012","90","","90","","90","","1751","0.4","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H24 O Si -","- C20 H24 O Si -","- C80 H96 O4 Si4 -","4","1","","Rigsbee, E. M.; Zhou, C.; Rasik, C. M.; Spitz, A. Z.; Nichols, A. J.; Brown, M. K.","Lewis acid-promoted [2 + 2] cycloadditions of alkenes with aryl ketenes.","Organic & biomolecular chemistry","2016","14","24","5477","5480","10.1039/c5ob01837d","","","0.71073","MoKα","","0.0418","0.0354","","0.0944","0.0871","0.0944","","","","","","1.0075","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154740","18.6953","0.0004","18.6953","0.0004","9.2303","0.0002","90","","90","","120","","2793.9","0.1","123","2","123","2","","","","","","","","4","P -3","-P 3","147","","","","- C21 H27 N O -","- C21 H27 N O -","- C126 H162 N6 O6 -","6","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","1.5418","CuKα","","0.0562","0.0477","","","0.1266","0.1352","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154741","23.0565","0.0017","27.3947","0.0017","11.6346","0.0009","90","","90","","90","","7348.7","0.9","123","2","123","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C21 H27 N O -","- C21 H27 N O -","- C336 H432 N16 O16 -","16","2","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0776","0.0511","","","0.0847","0.0942","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154742","17.524","0.002","6.4455","0.0006","19.9254","0.0016","90","","99.422","0.009","90","","2220.2","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 N O3 -","- C23 H35 N O3 -","- C92 H140 N4 O12 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","1.5418","CuKα","","0.1198","0.0759","","","0.1942","0.234","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154743","18.861","0.001","7.193","0.0003","13.7442","0.0006","90","","90","","90","","1864.64","0.15","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H28 Cl N O -","- C21 H28 Cl N O -","- C84 H112 Cl4 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0332","0.03","","","0.0691","0.0711","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154744","16.8197","0.0014","6.2849","0.0005","18.193","0.0014","90","","93.24","0.007","90","","1920.1","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 F3 N O1.5 -","- C21 H25 F3 N O1.5 -","- C84 H100 F12 N4 O6 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0727","0.0547","","","0.1108","0.1176","","","","","","1.144","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154745","17.8003","0.0004","6.1791","0.0002","17.0864","0.0003","90","","101.206","0.002","90","","1843.5","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 F3 N O -","- C21 H24 F3 N O -","- C84 H96 F12 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0506","0.0404","","","0.0932","0.0999","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154746","9.0335","0.0003","9.8976","0.0003","11.7319","0.0003","95.431","0.003","101.143","0.003","115.147","0.003","912.99","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 F3 N O -","- C21 H24 F3 N O -","- C42 H48 F6 N2 O2 -","2","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0439","0.0378","","","0.0956","0.1005","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154747","8.3916","0.0006","10.5116","0.0005","9.3538","0.0006","90","","101.449","0.006","90","","808.67","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 F3 N O -","- C7 H12 F3 N O -","- C28 H48 F12 N4 O4 -","4","1","","Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.","Organic & biomolecular chemistry","2015","14","1","172","182","10.1039/c5ob01924a","","","0.71073","MoKα","","0.0678","0.0436","","","0.0946","0.1093","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154754","8.8259","0.0013","14.64","0.002","19.755","0.003","90","","90","","90","","2552.6","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N O4 S -","- C27 H24 F3 N O4 S -","- C108 H96 F12 N4 O16 S4 -","4","1","","Zhao, Yingying; Wang, Haolong; Li, Xincheng; Wang, Dongping; Xin, Xiaoyi; Wan, Boshun","Selective synthesis of functionalized pyrroles from 3-aza-1,5-enynes.","Organic & biomolecular chemistry","2015","14","2","526","541","10.1039/c5ob01887k","","","0.71073","MoKα","","0.0472","0.0371","","","0.0961","0.102","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154755","7.7634","0.0011","12.5816","0.0016","17.744","0.002","74.284","0.003","88.867","0.003","82.156","0.003","1652.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","2","","Zhao, Yingying; Wang, Haolong; Li, Xincheng; Wang, Dongping; Xin, Xiaoyi; Wan, Boshun","Selective synthesis of functionalized pyrroles from 3-aza-1,5-enynes.","Organic & biomolecular chemistry","2015","14","2","526","541","10.1039/c5ob01887k","","","0.71073","MoKα","","0.076","0.0584","","","0.1561","0.1732","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154757","12.82","0.0005","14.667","0.0007","12.6709","0.0007","90","","101.774","0.005","90","","2332.4","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[3+2] + DA product","compound 18","","- C26 H33 Cl O4 -","- C26 H33 Cl O4 -","- C104 H132 Cl4 O16 -","4","1","","Yang, Hongzhi; Liu, Xue; Li, Qingong; Li, Longbo; Zhang, Jing-Ren; Tang, Yefeng","Total synthesis and preliminary SAR study of (±)-merochlorins A and B.","Organic & biomolecular chemistry","2015","14","1","198","205","10.1039/c5ob01946j","","","0.7107","MoKα","","0.0833","0.0488","","","0.0944","0.1114","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154758","9.418","0.002","10.301","0.003","10.919","0.003","75.398","0.015","77.071","0.016","72.538","0.015","965.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","[3+2] product","compound 8","","- C21 H27 Cl O2 -","- C21 H27 Cl O2 -","- C42 H54 Cl2 O4 -","2","1","","Yang, Hongzhi; Liu, Xue; Li, Qingong; Li, Longbo; Zhang, Jing-Ren; Tang, Yefeng","Total synthesis and preliminary SAR study of (±)-merochlorins A and B.","Organic & biomolecular chemistry","2015","14","1","198","205","10.1039/c5ob01946j","","","0.71073","MoKα","","0.0762","0.0654","","","0.1469","0.153","","","","","","1.143","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154759","10.9164","0.0003","16.2651","0.0004","19.0039","0.0005","90","","93.2134","0.0009","90","","3368.96","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F6 N3 P -","- C36 H44 F6 N3 P -","- C144 H176 F24 N12 P4 -","4","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.0533","0.0482","","","0.1204","0.1252","","","","","","1.059","","","","has coordinates,has disorder","176146","2020-10-21","18:00:00",""
"7154760","11.1337","0.0005","24.2066","0.001","15.0351","0.0006","90","","107.57","0.001","90","","3863.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 F6 N3 O6 S2 -","- C38 H45 F6 N3 O6 S2 -","- C152 H180 F24 N12 O24 S8 -","4","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.052","0.0372","","","0.0899","0.0989","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154761","10.9261","0.0005","12.7024","0.0005","17.0382","0.0007","90","","96.0531","0.0013","90","","2351.51","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Br0.68 Cl0.32 N2 O4 S2 -","- C22 H29 Br0.682 Cl0.319 N2 O4 S2 -","- C88 H116 Br2.728 Cl1.276 N8 O16 S8 -","4","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","1.54178","CuKα","","0.0505","0.0488","","","0.1115","0.1124","","","","","","1.098","","","","has coordinates,has disorder","176146","2020-10-21","18:00:00",""
"7154762","19.6192","0.0013","19.6192","0.0013","22.6973","0.0015","90","","90","","120","","7566","0.9","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H22 Br6 N3 -","- C8 H19 Br3.5 N3 -","- C144 H342 Br63 N54 -","18","1","","Ure, Andrew D.; Lázaro, Isabel Abánades; Cotter, Michelle; McDonald, Aidan R.","Synthesis and characterisation of a mesocyclic tripodal triamine ligand.","Organic & biomolecular chemistry","2015","14","2","483","494","10.1039/c5ob01556a","","","0.71073","MoKα","","0.0547","0.045","","","0.1347","0.1404","","","","","","1.095","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154763","5.9435","0.0004","12.4041","0.0008","16.5108","0.0011","90","","92.519","0.004","90","","1216.06","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O8 -","- C24 H26 N4 O8 -","- C48 H52 N8 O16 -","2","1","","Muthukumarasamy, Kalai Mangai; Handore, Kishor L.; Kakade, Dipti N.; Shinde, Madhuri V.; Ranjan, Shashi; Kumar, Naveen; Sehrawat, Seema; Sachidanandan, Chetana; Reddy, D. Srinivasa","Identification of noreremophilane-based inhibitors of angiogenesis using zebrafish assays.","Organic & biomolecular chemistry","2016","14","5","1569","1578","10.1039/c5ob01594d","","","0.71073","MoKα","","0.0702","0.0545","","","0.1114","0.1181","","","","","","1.123","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154764","8.7898","0.0008","21.266","0.002","10.9725","0.0011","90","","106.651","0.002","90","","1965","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl N O2 -","- C24 H20 Cl N O2 -","- C96 H80 Cl4 N4 O8 -","4","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0563","0.0397","","","0.1192","0.1344","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154765","15.3958","0.0019","9.1841","0.0011","16.013","0.002","90","","116.983","0.002","90","","2017.7","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C96 H80 Br4 N4 O8 -","4","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0303","0.0268","","","0.0704","0.072","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154766","8.366","0.0006","11.2874","0.0008","12.1577","0.0009","86.279","0.002","71.427","0.001","82.812","0.002","1079.33","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N O2 S -","- C23 H22 Cl N O2 S -","- C46 H44 Cl2 N2 O4 S2 -","2","1","","Chen, Ling; Yu, Lian; Deng, Yuan; Cui, Yuming; Bian, Gaofeng; Cao, Jian","Synthesis of α-haloenamides via zinc halide mediated direct addition of benzhydryl halides to ynamides.","Organic & biomolecular chemistry","2015","14","2","564","569","10.1039/c5ob01950h","","","0.71073","MoKα","","0.0532","0.0445","","","0.1293","0.1396","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154767","7.9496","0.0002","8.5205","0.0002","9.6732","0.0002","108.919","0.0009","98.719","0.001","103.047","0.001","585.57","0.02","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Yevglevskis, Maksims; Lee, Guat L.; Sun, Jenny; Zhou, Shiyi; Sun, Xiaolong; Kociok-Köhn, Gabriele; James, Tony D.; Woodman, Timothy J.; Lloyd, Matthew D.","A study on the AMACR catalysed elimination reaction and its application to inhibitor testing.","Organic & biomolecular chemistry","2015","14","2","612","622","10.1039/c5ob01541c","","","0.71073","MoKα","","0.064","0.0463","","","0.1216","0.1323","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154768","21.832","0.002","5.1765","0.0005","18.5849","0.0019","90","","103.747","0.002","90","","2040.2","0.3","303.9","","303.9","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H19 Cl N2 O -","- C25 H19 Cl N2 O -","- C100 H76 Cl4 N8 O4 -","4","1","","Yang, Sai; Shen, Liu-Lan; Kim, Yoon-Jung; Jeong, Jin-Hyun","Effective and novel enantioselective preparation of pyranopyrazoles and pyranocoumarins that is catalyzed by a quinine-derived primary amine.","Organic & biomolecular chemistry","2015","14","2","623","630","10.1039/c5ob01656h","","","0.71073","MoKα","","0.1098","0.065","","","0.1376","0.1556","","","","","","1.064","","","","has coordinates,has disorder","176137","2020-10-21","18:00:00",""
"7154769","11.8867","0.0001","8.0556","0.0001","12.3853","0.0001","90","","99.064","0.001","90","","1171.14","0.02","130","0.1","130","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoyl-Oxyma","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Burugupalli, Satvika; Shah, Sayali; van der Peet, Phillip L.; Arora, Seep; White, Jonathan M.; Williams, Spencer J.","Investigation of benzoyloximes as benzoylating reagents: benzoyl-Oxyma as a selective benzoylating reagent.","Organic & biomolecular chemistry","2016","14","1","97","104","10.1039/c5ob02092a","","","1.5418","CuKα","","0.0355","0.0342","","","0.0955","0.0966","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154770","5.902","0.0001","21.523","0.0003","11.2041","0.0002","90","","102.073","0.002","90","","1391.76","0.04","130","0.1","130","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzoyl-tButylOxyma","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Burugupalli, Satvika; Shah, Sayali; van der Peet, Phillip L.; Arora, Seep; White, Jonathan M.; Williams, Spencer J.","Investigation of benzoyloximes as benzoylating reagents: benzoyl-Oxyma as a selective benzoylating reagent.","Organic & biomolecular chemistry","2016","14","1","97","104","10.1039/c5ob02092a","","","1.5418","CuKα","","0.0437","0.0392","","","0.0972","0.1018","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154771","10.604","0.002","10.844","0.002","11.111","0.003","90","","100.939","0.005","90","","1254.4","0.5","93","","93","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","","Soeta, Takahiro; Takashita, Suguru; Sakata, Yoko; Ukaji, Yutaka","Phosphinic acid-promoted addition reaction of isocyanides to (Z)-hydroximoyl chlorides: efficient synthesis of α-(hydroxyimino)amides.","Organic & biomolecular chemistry","2015","14","2","694","700","10.1039/c5ob02032h","","","0.71073","MoKα","","0.0614","0.0533","","","0.1495","0.1622","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154772","8.0622","0.0003","8.0832","0.0005","19.3119","0.0011","96.786","0.005","92.066","0.004","103.632","0.004","1211.84","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O3 S4 -","- C24 H24 O3 S4 -","- C48 H48 O6 S8 -","2","1","","Ramulu, B. Janaki; Koley, Suvajit; Singh, Maya Shankar","Metal-free Brønsted acid mediated synthesis of fully substituted thiophenes via chemo- and regioselective intramolecular cyclization of α,α'-bis(β-oxodithioesters) at room temperature.","Organic & biomolecular chemistry","2015","14","2","434","439","10.1039/c5ob02081f","","","0.71073","MoKα","","0.0797","0.0494","","","0.1407","0.1714","","","","","","0.874","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154773","5.206","0.003","14.978","0.009","16.033","0.009","90","","90","","90","","1250.2","1.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C44 H76 N4 O24 -","4","1","","Johnson, Sherida; Tanaka, Fujie","Direct synthesis of C-glycosides from unprotected 2-N-acyl-aldohexoses via aldol condensation-oxa-Michael reactions with unactivated ketones.","Organic & biomolecular chemistry","2016","14","1","259","264","10.1039/c5ob02094h","","","1.54187","CuKα","","0.0825","0.0609","","","0.1401","0.1544","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154774","5.008","0.002","8.002","0.004","17.346","0.008","90","","95.347","0.005","90","","692.1","0.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H21 N O7 -","- C11 H21 N O7 -","- C22 H42 N2 O14 -","2","1","","Johnson, Sherida; Tanaka, Fujie","Direct synthesis of C-glycosides from unprotected 2-N-acyl-aldohexoses via aldol condensation-oxa-Michael reactions with unactivated ketones.","Organic & biomolecular chemistry","2016","14","1","259","264","10.1039/c5ob02094h","","","0.71075","MoKα","","0.037","0.0332","","","0.0851","0.0877","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154775","14.489","0.008","16.788","0.01","15.691","0.009","90","","97.627","0.009","90","","3783","4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H48 N6 O3 -","- C42 H48 N6 O3 -","- C168 H192 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.1542","0.0674","","","0.1246","0.1585","","","","","","0.963","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154776","14.6367","0.0004","17.6967","0.0004","15.064","0.0004","90","","94.45","0.002","90","","3890.13","0.17","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 F3 N6 O3 -","- C42 H45 F3 N6 O3 -","- C168 H180 F12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0788","0.0524","","","0.1087","0.1214","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154777","14.606","0.0004","18.7364","0.0005","14.7922","0.0004","90","","92.42","0.002","90","","4044.48","0.19","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 Cl3 N6 O3 -","- C42 H45 Cl3 N6 O3 -","- C168 H180 Cl12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0717","0.049","","","0.0997","0.1088","","","","","","0.994","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154778","14.5208","0.0002","19.0262","0.0003","14.9678","0.0002","90","","91.832","0.001","90","","4133.12","0.1","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H45 Br3 N6 O3 -","- C42 H45 Br3 N6 O3 -","- C168 H180 Br12 N24 O12 -","4","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.0257","0.0255","","","0.0672","0.0674","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154779","11.231","0.0003","16.5478","0.0004","16.658","0.0004","60.773","0.002","70.814","0.002","73.664","0.002","2524.11","0.12","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C47 H59 N6 O6.5 -","- C47 H59 N6 O6.5 -","- C94 H118 N12 O13 -","2","2","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.0569","0.054","","","0.1516","0.1559","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154780","18.74","0.003","18.74","0.003","22.056","0.003","90","","90","","120","","6708.1","1.8","100","2","100","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C54 H72 N6 O3 -","- C54 H72 N6 O3 -","- C216 H288 N24 O12 -","4","0.333333","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0465","0.0427","","","0.1151","0.1172","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154781","18.64","0.003","18.64","","22.083","0.003","90","","90","","120","","6644.8","1.4","100","2","100","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C54 H72 N6 O3 -","- C54 H72 N6 O3 -","- C216 H288 N24 O12 -","4","0.333333","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","0.71073","MoKα","","0.0677","0.051","","","0.1206","0.1271","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154782","14.177","0.002","21.094","0.003","32.557","0.004","90","","90","","90","","9736","2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H102 Cl8 N6 O4 -","- C104 H102 Cl8 N6 O4 -","- C416 H408 Cl32 N24 O16 -","4","1","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54187","CuKα","","0.0614","0.0582","","","0.1704","0.1755","","","","","","1.046","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7154783","15.145","0.0004","21.42","0.0004","25.216","0.0006","90","","90","","90","","8180.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C100.5 H92.25 N6.75 O3 -","- C100.5 H92.25 N6.75 O3 -","- C402 H369 N27 O12 -","4","1","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.08","0.0542","","","0.1304","0.145","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154787","10.5994","0.0008","14.6173","0.0014","16.0206","0.0013","91.305","0.003","90.921","0.003","103.62","0.004","2411.1","0.4","122","2","122","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H30 S18 -","- C42 H30 S18 -","- C84 H60 S36 -","2","1","","Parker, Christian R.; Lincke, Kasper; Christensen, Mikkel A.; Lušpai, Karol; Rapta, Peter; Sørensen, Thomas Just; Morsing, Thorbjørn J; Du, Lin; Kjaergaard, Henrik G.; Hammerich, Ole; Diederich, François; Nielsen, Mogens Brøndsted","On the association of neutral and cationic tris(tetrathiafulvaleno)dodecadehydro[18]annulenes.","Organic & biomolecular chemistry","2015","14","2","425","429","10.1039/c5ob02087e","","","0.71073","MoKα","","0.1132","0.052","","","0.0798","0.0966","","","","","","1.0012","","","","has coordinates","176138","2020-10-21","18:00:00",""
"7154788","9.1961","0.0006","9.1334","0.0006","17.5805","0.0011","90","","97.135","0.002","90","","1465.18","0.16","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H22 F4 O2 -","- C14 H22 F4 O2 -","- C56 H88 F16 O8 -","4","2","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","1.54187","CuKα","","","0.0495","","","","0.1415","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154789","5.3073","0.0014","10.169","0.003","26.061","0.007","90","","90","","90","","1406.5","0.7","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 F2 O2 -","- C14 H24 F2 O2 -","- C56 H96 F8 O8 -","4","1","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","0.71075","MoKα","","","0.0351","","","","0.0843","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154790","7.7556","0.0012","10.679","0.0015","9.8996","0.0016","90","","107.033","0.004","90","","783.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C30 H50 N2 O6 -","2","1","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","1.54187","CuKα","","0.0485","0.0478","","","0.1168","0.1176","","","","","","0.891","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154791","11.707","0.005","6.566","0.005","12.828","0.005","90","0","102.872","0.005","90","0","961.3","0.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","Coffinet, Michaël; Lamy, Samantha; Jaroschik, Florian; Vasse, Jean-Luc","Cyclopent-2-enylaluminium as allylzinc precursor for the diastereoselective allylmetallation of non-racemic imines: applications to the synthesis of enantiomerically enriched heterocycles.","Organic & biomolecular chemistry","2015","14","1","69","73","10.1039/c5ob02184g","","","1.54178","CuKα","","0.0277","0.0274","","","0.0691","0.0695","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154792","10.585","0.005","6.81","0.005","13.05","0.005","90","0","109.415","0.005","90","0","887.2","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C42 H50 N2 O4 -","2","1","","Coffinet, Michaël; Lamy, Samantha; Jaroschik, Florian; Vasse, Jean-Luc","Cyclopent-2-enylaluminium as allylzinc precursor for the diastereoselective allylmetallation of non-racemic imines: applications to the synthesis of enantiomerically enriched heterocycles.","Organic & biomolecular chemistry","2015","14","1","69","73","10.1039/c5ob02184g","","","1.54178","CuKα","","0.0266","0.0257","","","0.0663","0.0674","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154793","9.1914","0.0002","17.0779","0.0003","10.5669","0.0002","90","","98.692","0.002","90","","1639.63","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Monomethyl (S)-pyrrolidin-2-ylmethyl 3-bromobenzoate-(1R,2R)-1-(3,4,5-trimethoxyphenyl)-6,7-methylenedioxy-1,2-dihydronaphthalene-2,3-dicarboxylate amide ester","","- C35 H34 Br N O10 -","- C35 H34 Br N O10 -","- C70 H68 Br2 N2 O20 -","2","1","","Lisiecki, Kamil; Krawczyk, Krzysztof K.; Roszkowski, Piotr; Maurin, Jan K.; Czarnocki, Zbigniew","Formal synthesis of (-)-podophyllotoxin through the photocyclization of an axially chiral 3,4-bisbenzylidene succinate amide ester - a flow photochemistry approach.","Organic & biomolecular chemistry","2015","14","2","460","469","10.1039/c5ob01844g","","","1.54184","CuKα","","0.0822","0.059","","","0.1468","0.1643","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154794","3.9823","0.0006","11.7455","0.0017","16.58","0.002","86.931","0.003","84.919","0.003","89.788","0.003","771.36","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3a","","- C18 H13 Cl N2 O -","- C18 H13 Cl N2 O -","- C36 H26 Cl2 N4 O2 -","2","1","","Li, Lei; Wang, Qian; Liu, Pei; Meng, Hua; Kan, Xing-Lan; Liu, Qun; Zhao, Yu-Long","DBU-mediated metal-free oxidative cyanation of α-amino carbonyl compounds: using molecular oxygen as the oxidant.","Organic & biomolecular chemistry","2016","14","1","165","171","10.1039/c5ob01690h","","","0.71073","MoKα","","0.0814","0.0509","","","0.1354","0.1617","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154795","8.046","0.006","9.777","0.007","10.002","0.007","112.309","0.011","91.342","0.011","95.164","0.012","723.5","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 I N2 O3 -","- C14 H13 I N2 O3 -","- C28 H26 I2 N4 O6 -","2","1","","Sun, Meng; Chen, Xiangxiang; Zhang, Liang; Sun, Wei; Wang, Zhe; Guo, Peiyu; Li, Ya-Min; Yang, Xiao-Juan","Efficient, versatile and practical palladium-catalyzed highly regioselective ortho-halogenation of azoxybenzenes.","Organic & biomolecular chemistry","2015","14","1","323","329","10.1039/c5ob02153g","","","0.71073","MoKα","","0.0627","0.0467","","","0.1318","0.1911","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154796","15.2163","0.0004","29.527","0.0015","20.3699","0.001","90","","92.916","0.003","90","","9140.2","0.7","123","2","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89.62 H124.18 Cl7.05 N6 O10 -","- C89.612 H124.183 Cl7.041 N6 O10 -","- C358.448 H496.732 Cl28.164 N24 O40 -","4","1","","Lascaux, Angélique; Leener, Gaël De; Fusaro, Luca; Topić, Filip; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan","Selective recognition of neutral guests in an aqueous medium by a biomimetic calix[6]cryptamide receptor.","Organic & biomolecular chemistry","2015","14","2","738","746","10.1039/c5ob02067k","","","0.71073","MoKα","","0.2346","0.0878","","","0.1596","0.2164","","","","","","1.011","","","","has coordinates,has disorder","176145","2020-10-21","18:00:00",""
"7154797","15.2333","0.0007","29.5603","0.0013","20.3969","0.0005","90","","92.992","0.002","90","","9172.2","0.6","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88.35 H120.9 Cl7.34 N6 O10.32 -","- C88.353 H120.897 Cl7.335 N6 O10.318 -","- C353.412 H483.588 Cl29.34 N24 O41.272 -","4","1","","Lascaux, Angélique; Leener, Gaël De; Fusaro, Luca; Topić, Filip; Rissanen, Kari; Luhmer, Michel; Jabin, Ivan","Selective recognition of neutral guests in an aqueous medium by a biomimetic calix[6]cryptamide receptor.","Organic & biomolecular chemistry","2015","14","2","738","746","10.1039/c5ob02067k","","","0.71073","MoKα","","0.2857","0.1139","","","0.2254","0.3056","","","","","","1.021","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154798","13.6571","0.0012","7.7611","0.0007","14.968","0.0014","90","","91.63","0.002","90","","1585.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","V, Vijay; Karkhelikar, Manjusha V.; Sridhar, B.; Mirzadeh, Nedaossadat; Bhargava, Suresh; Likhar, Pravin R.","Electronically modified amine substituted alkynols for regio-selective synthesis of dihydrofuran derivatives.","Organic & biomolecular chemistry","2016","14","1","288","295","10.1039/c5ob02033f","","","0.71073","MoKα","","0.132","0.0975","","","0.1684","0.1823","","","","","","1.242","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154799","13.7811","0.0012","13.3475","0.0011","16.9711","0.0015","90","","90","","90","","3121.7","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 I N O2 -","- C17 H14 I N O2 -","- C136 H112 I8 N8 O16 -","8","1","","V, Vijay; Karkhelikar, Manjusha V.; Sridhar, B.; Mirzadeh, Nedaossadat; Bhargava, Suresh; Likhar, Pravin R.","Electronically modified amine substituted alkynols for regio-selective synthesis of dihydrofuran derivatives.","Organic & biomolecular chemistry","2016","14","1","288","295","10.1039/c5ob02033f","","","0.71073","MoKα","","0.0633","0.0462","","","0.1092","0.1189","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154800","6.9535","0.0001","8.5937","0.0001","30.8423","0.0005","90","","90","","90","","1843.02","0.05","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzene","2,5-Dimethyl-1-[4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenyl]-1H-pyrrole","","- C23 H22 N2 -","- C23 H22 N2 -","- C92 H88 N8 -","4","1","","Kim, Byeong Hyo; Bae, Seolhee; Go, Ahra; Lee, Hyunseung; Gong, Cheoloh; Lee, Byung Min","Synthesis of two distinct pyrrole moiety-containing arenes from nitroanilines using Paal-Knorr followed by an indium-mediated reaction.","Organic & biomolecular chemistry","2015","14","1","265","276","10.1039/c5ob02101d","","","0.71073","MoKα","","0.0512","0.0404","","","0.108","0.116","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154801","6.82581","0.00005","12.0234","0.00007","14.6468","0.00009","90","","90","","90","","1202.06","0.013","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R,7S,8aS)-1,2,7-trihydroxy-5,5-dimethyloctahydro-1H-indolizin-4-ium chloride","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","","Malinowski, Maciej; Rowicki, Tomasz; Guzik, Patrycja; Gryszel, Maciej; Łapczyński, Sebastian; Wielechowska, Monika; Czerwińska, Karolina; Madura, Izabela; Sas, Wojciech","[1,4]-sigmatropic rearrangement of chiral nitrones and their utilization in the synthesis of new iminosugars.","Organic & biomolecular chemistry","2015","14","2","470","482","10.1039/c5ob01432h","","x-ray","1.54184","CuKα","","0.022","0.0217","","","0.0578","0.058","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154802","7.96665","0.00007","10.06647","0.0001","31.833","0.0003","90","","90","","90","","2552.88","0.04","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2-((tert-butyldimethylsilyl)oxy)-1-((4R,5S)-5-((4S,6S)-2',2'-dimethyl-7-oxa-1-azaspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxan]-6-yl)-2,2-dimethyl-1,3-dioxolan-4-yl)ethanol","","- C23 H43 N O7 Si -","- C23 H43 N O7 Si -","- C92 H172 N4 O28 Si4 -","4","1","","Malinowski, Maciej; Rowicki, Tomasz; Guzik, Patrycja; Gryszel, Maciej; Łapczyński, Sebastian; Wielechowska, Monika; Czerwińska, Karolina; Madura, Izabela; Sas, Wojciech","[1,4]-sigmatropic rearrangement of chiral nitrones and their utilization in the synthesis of new iminosugars.","Organic & biomolecular chemistry","2015","14","2","470","482","10.1039/c5ob01432h","","","1.54184","CuKα","","0.0286","0.0278","","","0.0713","0.072","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154803","7.824","0.0005","13.359","0.0005","20.5454","0.0009","90","","90","","90","","2147.42","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O8 -","- C19 H24 N2 O8 -","- C76 H96 N8 O32 -","4","1","","Suresh Kumar, A.; Prabhakar Reddy, T.; Madhavachary, R.; Ramachary, Dhevalapally B.","Rawal's catalyst as an effective stimulant for the highly asymmetric Michael addition of β-keto esters to functionally rich nitro-olefins.","Organic & biomolecular chemistry","2016","14","24","5494","5499","10.1039/c5ob02178b","","x-ray","1.54184","CuKα","","0.0967","0.0562","","","0.1147","0.1372","","","","","","0.996","","","","has coordinates","183763","2020-10-21","18:00:00",""
"7154804","9.4301","0.0006","9.8683","0.0006","11.5227","0.0008","81.308","0.002","68.13","0.002","68.113","0.002","923.3","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O8 -","- C22 H18 O8 -","- C44 H36 O16 -","2","1","","Li, Zhongzhou; Su, Hui; Yu, Weiwei; Li, Xinjun; Cheng, Hao; Liu, Mingyao; Pang, Xiufeng; Zou, Xinzhuo","Design, synthesis and anticancer activities of novel otobain derivatives.","Organic & biomolecular chemistry","2015","14","1","277","287","10.1039/c5ob02176f","","","0.71073","MoKα","","0.0527","0.0403","","","0.1065","0.1185","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154805","8.8536","0.0005","11.684","0.0007","16.873","0.001","90","","98.782","0.002","90","","1724.97","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O6 -","- C20 H15 N3 O6 -","- C80 H60 N12 O24 -","4","1","","Li, Zhongzhou; Su, Hui; Yu, Weiwei; Li, Xinjun; Cheng, Hao; Liu, Mingyao; Pang, Xiufeng; Zou, Xinzhuo","Design, synthesis and anticancer activities of novel otobain derivatives.","Organic & biomolecular chemistry","2015","14","1","277","287","10.1039/c5ob02176f","","","0.71073","MoKα","","0.0528","0.0354","","","0.0758","0.0854","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154806","12.9877","0.0003","7.4549","0.0002","31.4842","0.0009","90","","90","","90","","3048.36","0.14","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C136 H112 N16 O32 -","8","1","","Wang, Bin; Chen, Ying; Zhou, Ling; Wang, Jianwu; Xu, Zhenghu","Zn/Sc bimetallic relay catalysis: one pot cycloisomerization/carbonyl-ene reaction toward oxazole derivatives.","Organic & biomolecular chemistry","2016","14","3","826","829","10.1039/c5ob02158h","","","0.71073","MoKα","","0.1119","0.0892","","","0.2516","0.2703","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154807","24.317","0.0011","13.776","0.0006","67.036","0.003","90","","91.6033","0.0013","90","","22447.7","1.7","100","2","100","2","","","","","","","soft coral","3","C 1 2 1","C 2y","5","","Isodecaryiol","","- C20 H34 O2 -","- C20 H34 O2 -","- C960 H1632 O96 -","48","12","","Rahelivao, Marie Pascaline; Gruner, Margit; Lübken, Tilo; Islamov, Daut; Kataeva, Olga; Andriamanantoanina, Hanta; Bauer, Ingmar; Knölker, Hans-Joachim","Chemical constituents of the soft corals Sinularia vanderlandi and Sinularia gravis from the coast of Madagascar.","Organic & biomolecular chemistry","2016","14","3","989","1001","10.1039/c5ob02280k","","x-ray","1.54178","CuKα","","0.0354","0.0347","","","0.1178","0.1187","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154808","7.6694","0.0008","8.4024","0.0008","15.7611","0.0016","89.92","0.0019","88.182","0.002","88.417","0.0019","1014.77","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(cyclopropylmethylene)-2-methylisoindolin-1-one","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","2","","Munoz, Socrates B.; Aloia, Alexandra N.; Moore, Alexander K.; Papp, Attila; Mathew, Thomas; Fustero, Santos; Olah, George A.; Surya Prakash, G. K.","Synthesis of 3-substituted isoindolin-1-ones via a tandem desilylation, cross-coupling, hydroamidation sequence under aqueous phase-transfer conditions.","Organic & biomolecular chemistry","2016","14","1","85","92","10.1039/c5ob02187a","","","0.71073","MoKα","","0.0565","0.0428","","","0.1032","0.1121","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154809","11.9196","0.0005","14.6868","0.0007","6.4","0.0003","90","","96.769","0.001","90","","1112.58","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-Benzylideneisoindolin-1-one","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Munoz, Socrates B.; Aloia, Alexandra N.; Moore, Alexander K.; Papp, Attila; Mathew, Thomas; Fustero, Santos; Olah, George A.; Surya Prakash, G. K.","Synthesis of 3-substituted isoindolin-1-ones via a tandem desilylation, cross-coupling, hydroamidation sequence under aqueous phase-transfer conditions.","Organic & biomolecular chemistry","2016","14","1","85","92","10.1039/c5ob02187a","","","0.71073","MoKα","","0.0513","0.0424","","","0.1159","0.1216","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154810","21.688","0.006","17.152","0.004","22.729","0.005","90","","115.043","0.003","90","","7660","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H77 Br2 Cl3 N14 O24 -","- C65 H77 Br2 Cl3 N14 O24 -","- C260 H308 Br8 Cl12 N56 O96 -","4","1","","Wang, Xu-Dong; Li, Sen; Ao, Yu-Fei; Wang, Qi-Qiang; Huang, Zhi-Tang; Wang, De-Xian","Oxacalix[2]arene[2]triazine based ion-pair transporters.","Organic & biomolecular chemistry","2016","14","1","330","334","10.1039/c5ob02291f","","","0.71073","MoKα","","0.1745","0.1495","","","0.3675","0.3798","","","","","","1.882","","","","has coordinates,has disorder","301861","2025-08-22","11:12:26",""
"7154811","9.547","0.003","7.151","0.0019","12.171","0.003","90","","111.479","0.003","90","","773.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N -","- C17 H20 Cl N -","- C34 H40 Cl2 N2 -","2","1","","Chen, Yunwei; Sun, Xiang; Wu, Ningjie; Li, Jingbai; Jin, Shengnan; Zhong, Yongliang; Liu, Zirui; Rogachev, Andrey; Chong, Hyun-Soon","Synthetic and theoretical investigation on the one-pot halogenation of β-amino alcohols and nucleophilic ring opening of aziridinium ions.","Organic & biomolecular chemistry","2016","14","3","920","939","10.1039/c5ob01692d","","","0.71073","MoKα","","0.0322","0.0293","","","0.0702","0.0722","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154812","16.2077","0.0003","8.43855","0.00016","12.5611","0.0003","90","","90","","90","","1717.98","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H23 O P -","- C20 H23 O P -","- C80 H92 O4 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Synthesis of 1,4-dihydrophosphinoline 1-oxides by acid-promoted cyclization of 1-(diphenylphosphoryl)allenes.","Organic & biomolecular chemistry","2016","14","4","1370","1381","10.1039/c5ob02143j","","","1.54184","CuKα","","0.0538","0.0535","","","0.1355","0.136","","","","","","1.091","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154813","11.5236","0.0015","7.0451","0.0009","19.746","0.003","90","","104.565","0.001","90","","1551.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,8-Dimethoxy-1,6b-dimethyl-1a,6b-dihydro-1H- benzofuro[2,3-b]indole","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Chai, Zhuo; Chen, Jia-Nan; Liu, Zhen; Li, Xue-Fei; Yang, Pei-Jun; Hu, Ji-Ping; Yang, Gaosheng","[3 + 2]-Annulations of N-alkyl-3-substituted indoles with quinone monoketals catalysed by Brønsted acids.","Organic & biomolecular chemistry","2016","14","3","1024","1030","10.1039/c5ob01876e","","","0.71073","MoKα","","0.0552","0.0432","","","0.1132","0.1222","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154814","8.241","0.003","9.598","0.004","25.276","0.01","90","","99.148","0.006","90","","1973.8","1.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Br Cl O3 -","- C20 H19 Br Cl O3 -","- C80 H76 Br4 Cl4 O12 -","4","1","","Anugu, Raghunath Reddy; Mainkar, Prathama S.; Sridhar, Balasubramanian; Chandrasekhar, Srivari","The Ireland-Claisen rearrangement strategy towards the synthesis of the schizophrenia drug, (+)-asenapine.","Organic & biomolecular chemistry","2016","14","4","1332","1337","10.1039/c5ob02047f","","","0.71073","MoKα","","0.1841","0.1232","","","0.3237","0.3589","","","","","","1.169","","","","has coordinates","176158","2020-10-21","18:00:00",""
"7154815","5.8334","0.0005","10.9763","0.0009","24.922","0.002","90","","90","","90","","1595.7","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","aks_i_282_01","","- C15 H16 N4 O4 S -","- C15 H16 N4 O4 S -","- C60 H64 N16 O16 S4 -","4","1","","Simlandy, Amit K.; Mukherjee, Santanu","Catalytic asymmetric formal γ-allylation of deconjugated butenolides.","Organic & biomolecular chemistry","2016","14","24","5659","5664","10.1039/c5ob02362a","","","0.71073","MoKα","","0.06","0.0448","","","0.0726","0.0754","","","","","","1.081","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154816","8.1772","0.0005","9.7706","0.0005","13.9947","0.0008","70.184","0.002","73.97","0.002","83.379","0.002","1010.72","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","AKS_I_393_01","","- C20 H17 Br N4 O4 S -","- C20 H17 Br N4 O4 S -","- C40 H34 Br2 N8 O8 S2 -","2","1","","Simlandy, Amit K.; Mukherjee, Santanu","Catalytic asymmetric formal γ-allylation of deconjugated butenolides.","Organic & biomolecular chemistry","2016","14","24","5659","5664","10.1039/c5ob02362a","","x-ray","0.71073","MoKα","","0.0437","0.0303","","","0.0599","0.0628","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154817","7.2632","0.0002","14.5322","0.0004","16.5698","0.0006","90","","91.431","0.001","90","","1748.4","0.09","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(1E,4Z)-1-(9-ethyl-9H-carbazol-3-yl)-6,6,6-trifluoro-5-hydroxyhexa-1,4-dien-3-one","","- C20 H16 F3 N O2 -","- C20 H16 F3 N O2 -","- C80 H64 F12 N4 O8 -","4","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.1311","0.0676","","","0.1843","0.2309","","","","","","1.103","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154818","22.4771","0.0008","12.8997","0.0008","15.6366","0.0008","90","","132.732","0.005","90","","3330.2","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","(E)-2,2-difluoro-6-(2-(6-methoxynaphthalen-2-yl)vinyl)-4-(trifluoromethyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C17 H12 B F5 O3 -","- C17 H12 B F5 O3 -","- C136 H96 B8 F40 O24 -","8","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.1608","0.0612","","","0.1417","0.1897","","","","","","1.03","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154819","11.5387","0.0004","9.8453","0.0004","19.8519","0.0009","90","","117.76","0.001","90","","1995.65","0.14","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(E)-2,2-difluoro-4-isobutyl-6-(2-(pyren-1-yl)vinyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C25 H21 B F2 O2 -","- C25 H21 B F2 O2 -","- C100 H84 B4 F8 O8 -","4","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.2017","0.0796","","","0.2015","0.2477","","","","","","0.976","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154820","21.523","0.001","13.3264","0.0009","14.604","0.001","90","","95.233","0.007","90","","4171.3","0.4","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","(E)-2,2-difluoro-6-(2-(pyren-1-yl)vinyl)-4-(trifluoromethyl)-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C22.12 H12 B Cl0.38 F5 O2 -","- C22.175 H12 B Cl0.35 F5 O2 -","- C177.4 H96 B8 Cl2.8 F40 O16 -","8","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.2664","0.111","","","0.2749","0.3379","","","","","","0.922","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154821","8.058","0.0002","11.8497","0.0003","17.433","0.0005","90","","104.565","0.001","90","","1611.09","0.07","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","(E)-2,2-difluoro-6-(4-(methylthio)styryl)-4-phenyl-2H-1,3,2-dioxaborinin-1-ium-2-uide","","- C18 H15 B F2 O2 S -","- C18 H15 B F2 O2 S -","- C72 H60 B4 F8 O8 S4 -","4","1","","Kim, Eunsun; Felouat, Abdellah; Zaborova, Elena; Ribierre, Jean-Charles; Wu, Jeong Weon; Senatore, Sébastien; Matthews, Cédric; Lenne, Pierre-François; Baffert, Carole; Karapetyan, Artak; Giorgi, Michel; Jacquemin, Denis; Ponce-Vargas, Miguel; Guennic, Boris Le; Fages, Frédéric; D'Aléo, Anthony","Borondifluoride complexes of hemicurcuminoids as bio-inspired push-pull dyes for bioimaging.","Organic & biomolecular chemistry","2016","14","4","1311","1324","10.1039/c5ob02295a","","x-ray","0.71073","MoKα","","0.0964","0.0501","","","0.1161","0.1385","","","","","","1.04","","","","has coordinates","176149","2020-10-21","18:00:00",""
"7154822","8.3507","0.0013","8.6494","0.0014","9.0014","0.0015","79.307","0.003","84.564","0.003","79.146","0.003","626.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O3 S -","- C12 H14 N2 O3 S -","- C24 H28 N4 O6 S2 -","2","1","","Shen, Mei-Hua; Xu, Ke; Sun, Chu-Han; Xu, Hua-Dong","Facile synthesis of aza-spirocyclopropanyl oxindoles by the reaction of 3-(2-bromoethyl)-indole with 2,3-dimethylimidazole-1-sulfonyl azide triflate.","Organic & biomolecular chemistry","2016","14","4","1272","1276","10.1039/c5ob02192h","","","0.71073","MoKα","","0.0457","0.0422","","","0.1353","0.1468","","","","","","1.113","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154823","11.562","0.006","6.267","0.002","19.695","0.01","90","","95.75","0.03","90","","1419.9","1.1","173","","173","","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C15 H18 F4 O -","- C15 H18 F4 O -","- C60 H72 F16 O4 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0274","0.0264","","","0.0688","0.0694","","","","","","0.982","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154824","22.574","0.002","6.3537","0.0008","19.1603","0.0019","90","","90","","90","","2748.1","0.5","125","","125","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H18 F4 O -","- C15 H18 F4 O -","- C120 H144 F32 O8 -","8","2","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.1709","0.1577","","","0.3205","0.3507","","","","","","1.547","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154825","6.192","0.005","13.935","0.009","10.252","0.008","90","","106.98","0.02","90","","846","1.1","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 F4 O -","- C8 H12 F4 O -","- C32 H48 F16 O4 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.0672","0.0595","","","0.1484","0.1562","","","","","","0.969","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154826","18.859","0.013","10.647","0.007","8.927","0.006","90","","90","","90","","1792","2","125","","125","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H12 F4 O -","- C8 H12 F4 O -","- C64 H96 F32 O8 -","8","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.1454","0.1118","","","0.3106","0.3346","","","","","","1.108","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154827","10.4475","0.0014","11.766","0.002","16.901","0.002","90","","100.766","0.003","90","","2041","0.5","125","","125","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 F4 N2 O2 -","- C21 H26 F4 N2 O2 -","- C84 H104 F16 N8 O8 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.047","0.0466","","","0.1067","0.1077","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154828","12.108","0.003","13.669","0.004","16.043","0.004","102.251","0.003","91.947","0.005","114.376","0.005","2341.3","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 F4 N2 O2 -","- C26 H28 F4 N2 O2 -","- C104 H112 F16 N8 O8 -","4","2","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0775","0.0584","","","0.1483","0.1555","","","","","","0.94","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154829","10.0424","0.0016","10.27","0.002","10.882","0.002","83.19","0.03","64.29","0.02","74.1","0.02","972.5","0.4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 F4 N O3 -","- C20 H25 F4 N O3 -","- C40 H50 F8 N2 O6 -","2","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0507","0.0422","","","0.1081","0.1116","","","","","","0.87","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154830","8.5702","0.0017","21.691","0.004","11.256","0.002","90","","90.986","0.004","90","","2092.1","0.7","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F4 N2 O2 -","- C21 H23 F4 N2 O2 -","- C84 H92 F16 N8 O8 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.0902","0.0722","","","0.1929","0.2041","","","","","","1.022","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154831","11.187","0.006","11.294","0.005","12.18","0.006","92.707","0.004","116.606","0.005","116.789","0.005","1166.9","1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 F4 N2 O2 -","- C26 H28 F4 N2 O2 -","- C52 H56 F8 N4 O4 -","2","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","0.71075","MoKα","","0.1158","0.0563","","","0.1364","0.1701","","","","","","0.906","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154832","9.768","0.003","10.296","0.003","22.978","0.006","90","","90","","90","","2310.9","1.1","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 F4 N2 O3 -","- C25 H28 F4 N2 O3 -","- C100 H112 F16 N8 O12 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.079","0.0684","","","0.1943","0.2044","","","","","","0.831","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154833","12.2153","0.0002","13.5599","0.0002","18.6521","0.0003","95.666","0.001","104.369","0.001","107.679","0.001","2800.32","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-methoxypyrido[2',3':4,5]pyrrolo[1,2-<i>f</i>]phenanthridine","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","4","","Ngo, Thang Ngoc; Janert, Frank; Ehlers, Peter; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Lochbrunner, Stefan; Langer, Peter","Pd(0)-catalyzed domino C-N coupling/hydroamination/C-H arylation reactions: efficient synthesis and photophysical properties of azaindolo[1,2-f]phenanthridines.","Organic & biomolecular chemistry","2016","14","4","1293","1301","10.1039/c5ob02274f","","","0.71073","MoKα","","0.0795","0.0501","","","0.1251","0.1469","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154834","36.552","0.003","21.7842","0.0015","28.274","0.002","90","","109.553","0.001","90","","21215","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","CB SG-2-161B","","- C75 H132 Cl N20 Na4 O48 S5 -","- C75 H90 N20 O27.96 S5 -","- C600 H720 N160 O223.68 S40 -","8","1","","Ganapati, Shweta; Zavalij, Peter Y.; Eikermann, Matthias; Isaacs, Lyle","In Vitro selectivity of an acyclic cucurbit[n]uril molecular container towards neuromuscular blocking agents relative to commonly used drugs.","Organic & biomolecular chemistry","2016","14","4","1277","1287","10.1039/c5ob02356d","","","0.71073","MoKα","","0.1118","0.0817","","","0.1773","0.1949","","","","","","1.055","","","","has coordinates,has disorder","176147","2020-10-21","18:00:00",""
"7154835","13.4868","0.0014","15.2064","0.0016","17.7733","0.0019","90","","107.75","0.002","90","","3471.5","0.6","294","2","294","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 Cl F6 N2 O2 Pt S2 -","- C35 H25 Cl F6 N2 O2 Pt S2 -","- C140 H100 Cl4 F24 N8 O8 Pt4 S8 -","4","1","","Kamal, Ahmed; Ashraf, Md; Basha, Shaik Thokhir; Ali Hussaini, S. M.; Singh, Shamshair; Vishnuvardhan, M. V. P. S.; Kiran, Boppana; Sridhar, Balasubramanian","Design, synthesis and antiproliferative activity of the new conjugates of E7010 and resveratrol as tubulin polymerization inhibitors.","Organic & biomolecular chemistry","2016","14","4","1382","1394","10.1039/c5ob02022k","","","0.71073","MoKα","","0.0338","0.0293","","","0.0735","0.0774","","","","","","1.018","","","","has coordinates","176154","2020-10-21","18:00:00",""
"7154836","12.0003","0.0005","5.4759","0.0002","17.9308","0.0008","90","","92.31","0.002","90","","1177.32","0.08","150","","150","","","","","","","","syn","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F N O -","- C16 H12 F N O -","- C64 H48 F4 N4 O4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0756","0.0492","","0.1498","0.1253","0.1498","","","","","","1.0312","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154837","6.5458","0.0001","8.4459","0.0002","13.2079","0.0003","90","","99.9683","0.0009","90","","719.18","0.03","150","","150","","","","","","","","syn","3","P 1 21 1","P 2yb","4","","","","- C19 H21 N -","- C19 H21 N -","- C38 H42 N2 -","2","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0335","0.0314","","0.0803","0.077","0.0803","","","","","","0.9287","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154838","9.4554","0.0001","10.6808","0.0002","12.7524","0.0002","90","","92.8615","0.0007","90","","1286.27","0.03","150","","150","","","","","","","","syn","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0496","0.04","","0.1138","0.0982","0.0937","","","","","","0.8803","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154839","6.019","0.0001","8.0659","0.0002","23.9029","0.0005","90","","91.3683","0.0011","90","","1160.12","0.04","150","","150","","","","","","","","Syn","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0608","0.0452","","0.116","0.1052","0.116","","","","","","0.9517","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154840","8.8066","0.0001","13.3703","0.0002","12.5739","0.0002","90","","105.106","0.0005","90","","1429.38","0.04","150","","150","","","","","","","","syn","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H14 Br N -","- C18 H14 Br N -","- C72 H56 Br4 N4 -","4","1","","Pilgrim, Ben S.; Gatland, Alice E.; Esteves, Carlos H. A.; McTernan, Charlie T.; Jones, Geraint R.; Tatton, Matthew R.; Procopiou, Panayiotis A.; Donohoe, Timothy J.","Palladium-catalyzed enolate arylation as a key C-C bond-forming reaction for the synthesis of isoquinolines.","Organic & biomolecular chemistry","2016","14","3","1065","1090","10.1039/c5ob02320c","","","0.71073","MoKα","","0.0371","0.0326","","0.0772","0.073","0.0772","","","","","","0.8809","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154843","11.71049","0.00013","11.80555","0.00011","52.7036","0.0005","90","","90","","90","","7286.21","0.13","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5e","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C320 H400 N16 O32 -","16","4","","Wu, Shaotong; Yin, Qianqian; Zhao, Liang; Fan, Ningning; Tang, Xiaowan; Zhao, Jianxiong; Sheng, Tao; Guo, Ying; Tian, Chao; Zhang, Zhili; Xu, Weisi; Liu, Zhenming; Jiang, Shibo; Ma, Liying; Liu, Junyi; Wang, Xiaowei","A stereo configuration-activity study of 3-iodo-4-(2-methylcyclohexyloxy)-6-phenethylpyridin-2(2H)-ones as potency inhibitors of HIV-1 variants.","Organic & biomolecular chemistry","2016","14","4","1413","1420","10.1039/c5ob02154e","","","1.54184","CuKα","","0.0451","0.0433","","","0.1111","0.1131","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154844","11.1239","0.0003","8.9956","0.0002","15.6586","0.0004","90","","105.218","0.002","90","","1511.95","0.07","289","2","289","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Bai, Mei; You, Yong; Chen, Yong-Zheng; Xiang, Guang-Yan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","An unprecedented protocol for the synthesis of 3-hydroxy-3-phenacyloxindole derivatives with indolin-2-ones and α-substituted ketones.","Organic & biomolecular chemistry","2016","14","4","1395","1401","10.1039/c5ob02391b","","","1.54184","CuKα","","0.045","0.0422","","","0.1106","0.1128","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154845","5.8682","0.0004","15.5218","0.0014","14.1795","0.0013","90","","92.445","0.001","90","","1290.36","0.19","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 O2 P S -","- C31 H37 O2 P S -","- C62 H74 O4 P2 S2 -","2","1","","Yao, Lan; Liu, Li-Juan; Xu, Zhong-Yuan; Nie, Shao-Zhen; Xiao, Xiao-Qing; Zhao, Chang-Qiu","Variable mechanism of nucleophilic substitution of P-stereogenic phosphoryl chloride with alkynyl metallic reagents.","Organic & biomolecular chemistry","2016","14","5","1702","1706","10.1039/c5ob01871d","","","0.71073","MoKα","","0.2086","0.1142","","","0.2511","0.3049","","","","","","0.919","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154846","11.6441","0.0004","19.004","0.0011","15.7545","0.0008","90","","104.803","0.003","90","","3370.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl N4 O5 -","- C36 H39 Cl N4 O5 -","- C144 H156 Cl4 N16 O20 -","4","1","","Temprano, Álvaro G; Monleón, Laura M; Rubio, Omayra H.; Rubio, Luis Simón; Pérez, Asunción B; Sanz, Francisca; Morán, Joaquín R","A highly selective receptor for zwitterionic proline.","Organic & biomolecular chemistry","2016","14","4","1325","1331","10.1039/c5ob02387d","","","1.54178","CuKα","","0.1818","0.1032","","","0.2658","0.3048","","","","","","1.104","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154847","8.4156","0.0005","11.6638","0.0008","14.9936","0.0008","87.286","0.005","83.22","0.004","82.716","0.005","1448.87","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 Cl N4 O4 -","- C32 H33 Cl N4 O4 -","- C64 H66 Cl2 N8 O8 -","2","1","","Temprano, Álvaro G; Monleón, Laura M; Rubio, Omayra H.; Rubio, Luis Simón; Pérez, Asunción B; Sanz, Francisca; Morán, Joaquín R","A highly selective receptor for zwitterionic proline.","Organic & biomolecular chemistry","2016","14","4","1325","1331","10.1039/c5ob02387d","","","1.54178","CuKα","","0.2429","0.1298","","","0.3206","0.4035","","","","","","2.257","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154848","10.0374","0.0001","12.6398","0.0001","21.0812","0.0002","90","","90","","90","","2674.59","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","LM-56","compound 1","","- C28 H38 O11 -","- C28 H38 O11 -","- C112 H152 O44 -","4","1","","An, Fa-Liang; Luo, Jun; Wang, Xiao-Bing; Yang, Ming-Hua; Kong, Ling-Yi","Trichiconlides A and B: two novel limonoids from the fruits of Trichilia connaroides.","Organic & biomolecular chemistry","2016","14","4","1231","1235","10.1039/c5ob02300a","","","1.54184","CuKα","","0.0395","0.0393","","","0.111","0.1114","","","","","","1.078","","","","has coordinates,has disorder","301861","2025-08-22","11:12:26",""
"7154849","8.1681","0.0014","11.8","0.002","12.478","0.002","114.931","0.003","91.661","0.003","99.121","0.003","1070.6","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 F3 N O6 S -","- C19 H22 F3 N O6 S -","- C38 H44 F6 N2 O12 S2 -","2","1","","Liu, Yufen; Du, Yanlong; Yu, Aimin; Mu, Haifeng; Meng, Xiangtai","DABCO-catalyzed unusual [4 + 2] cycloaddition reaction: non-substituted allenoate acts as a four-carbon synthon and facile synthesis of spirooxindoles.","Organic & biomolecular chemistry","2016","14","4","1226","1230","10.1039/c5ob02383a","","","0.71073","MoKα","","0.1053","0.0605","","","0.1631","0.1914","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154850","17.0861","0.0005","17.2584","0.0007","17.3652","0.0007","66.864","0.004","87.873","0.003","66.771","0.003","4284.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Br N O6 -","- C22 H24 Br N O6 -","- C176 H192 Br8 N8 O48 -","8","4","","Liu, Yufen; Du, Yanlong; Yu, Aimin; Mu, Haifeng; Meng, Xiangtai","DABCO-catalyzed unusual [4 + 2] cycloaddition reaction: non-substituted allenoate acts as a four-carbon synthon and facile synthesis of spirooxindoles.","Organic & biomolecular chemistry","2016","14","4","1226","1230","10.1039/c5ob02383a","","","1.54184","CuKα","","0.0593","0.0495","","","0.125","0.1299","","","","","","0.959","","","","has coordinates,has disorder","301861","2025-08-22","11:12:26",""
"7154851","10.0957","0.0006","10.7765","0.0006","18.4533","0.0011","95.177","0.001","90.51","0.001","94.559","0.001","1992.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C84 H92 N4 O24 -","4","2","","Liu, Yufen; Du, Yanlong; Yu, Aimin; Mu, Haifeng; Meng, Xiangtai","DABCO-catalyzed unusual [4 + 2] cycloaddition reaction: non-substituted allenoate acts as a four-carbon synthon and facile synthesis of spirooxindoles.","Organic & biomolecular chemistry","2016","14","4","1226","1230","10.1039/c5ob02383a","","","0.71073","MoKα","","0.0579","0.0415","","","0.0892","0.0982","","","","","","1.015","","","","has coordinates,has disorder","301861","2025-08-22","11:12:26",""
"7154852","6.95182","0.00016","12.228","0.0003","30.5046","0.0006","90","","95.654","0.002","90","","2580.48","0.1","110.05","0.1","110.05","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(3aRS,5aRS,9aRS,9bRS)-5a-methyl-3,9-dimethylenedecahydronaphtho[1,2-b]furan-2(9bH)-one","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","2","","Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.","A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.","Organic & biomolecular chemistry","2016","14","5","1641","1645","10.1039/c5ob02579f","","x-ray","1.54184","CuKα","","0.0633","0.0487","","","0.1285","0.1362","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154853","7.4631","0.0004","8.1068","0.0004","10.7071","0.0005","89.047","0.004","89.71","0.004","89.044","0.004","647.61","0.06","132","30","132","30","","","","","","","","3","P -1","-P 1","2","","(3aRS,5aRS,9aSR,9bRS)-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.","A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.","Organic & biomolecular chemistry","2016","14","5","1641","1645","10.1039/c5ob02579f","","x-ray","1.54181","CuKα","","0.0439","0.0395","","","0.108","0.1119","","","","","","1.05","","","","has coordinates,has disorder","301861","2025-08-22","11:12:26",""
"7154854","23.0721","0.001","6.5804","0.0002","26.2324","0.0011","90","","117.509","0.005","90","","3532.4","0.3","110.05","0.1","110.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4aSR,8SR,8aSR)-8-((tert-butyldimethylsilyl)oxy)-4a-methyloctahydronaphthalen-1(2H)-one","","- C17 H32 O2 Si -","- C17 H32 O2 Si -","- C136 H256 O16 Si8 -","8","1","","Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P.","A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products.","Organic & biomolecular chemistry","2016","14","5","1641","1645","10.1039/c5ob02579f","","x-ray","1.54184","CuKα","","0.0386","0.0349","","","0.0925","0.0961","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154855","9.7918","0.0015","10.8744","0.0017","17.136","0.003","90","","90","","90","","1824.6","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O4 -","- C20 H16 Br N O4 -","- C80 H64 Br4 N4 O16 -","4","1","","Zhu, Ling; Yu, Chenxia; Li, Tuanjie; Wang, Yuhong; Lu, Yinan; Wang, Wenjing; Yao, Changsheng","N-Heterocyclic carbene-catalyzed [4 + 2] cyclization of α,β-unsaturated carboxylic acids bearing γ-H with isatins: an enantioselective synthesis of spirocyclic oxindole-dihydropyranones.","Organic & biomolecular chemistry","2016","14","4","1485","1491","10.1039/c5ob02160j","","","0.71073","MoKα","","0.0347","0.0284","","","0.0742","0.077","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154856","6.8943","0.0002","11.6898","0.0004","32.2785","0.0011","90","","90","","90","","2601.42","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Suprasterol analog","","- C27 H46 O4 -","- C27 H46 O4 -","- C108 H184 O16 -","4","1","","Kulesza, Urszula; Plum, Lori A.; DeLuca, Hector F.; Mouriño, Antonio; Sicinski, Rafal R.","A new suprasterol by photochemical reaction of 1α,25-dihydroxy-9-methylene-19-norvitamin D3.","Organic & biomolecular chemistry","2016","14","5","1646","1652","10.1039/c5ob01896j","","","0.71073","MoKα","","0.0592","0.043","","","0.0914","0.099","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154857","21.0057","0.0003","4.0646","0.0001","12.0663","0.0002","90","","90","","90","","1030.22","0.03","200","0.1","200","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N5 S -","- C9 H11 N5 S -","- C36 H44 N20 S4 -","4","1","","Murray, Paul M.; Bellany, Fiona; Benhamou, Laure; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Sheppard, Tom D.","The application of design of experiments (DoE) reaction optimisation and solvent selection in the development of new synthetic chemistry.","Organic & biomolecular chemistry","2016","14","8","2373","2384","10.1039/c5ob01892g","","x-ray","1.54184","CuKα","","0.0272","0.0261","","","0.0674","0.0684","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154858","7.5439","0.0001","23.345","0.0004","5.8584","0.0001","90","","96.946","0.002","90","","1024.16","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N5 S -","- C9 H11 N5 S -","- C36 H44 N20 S4 -","4","1","","Murray, Paul M.; Bellany, Fiona; Benhamou, Laure; Bučar, Dejan-Krešimir; Tabor, Alethea B.; Sheppard, Tom D.","The application of design of experiments (DoE) reaction optimisation and solvent selection in the development of new synthetic chemistry.","Organic & biomolecular chemistry","2016","14","8","2373","2384","10.1039/c5ob01892g","","x-ray","1.54184","CuKα","","0.0339","0.0314","","","0.0843","0.0875","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154859","16.6008","0.0008","13.5612","0.0007","21.8151","0.0011","90","","106.926","0.001","90","","4698.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-3-chloro-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-((phenylthio)imino)-3,4,5,6,7,8-hexahydro-2H-chromene-3-carbonitrile","","- C24 H20 Cl2 N2 O2 S -","- C24 H20 Cl2 N2 O2 S -","- C192 H160 Cl16 N16 O16 S8 -","8","2","","Kale, Ashok; Chennapuram, Madhu; Bingi, Chiranjeevi; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","One pot oxidative N-S bond formation to access 2-sulfenylimine chromenes.","Organic & biomolecular chemistry","2015","14","2","582","589","10.1039/c5ob01790d","","","0.71073","MoKα","","0.0842","0.0633","","","0.1341","0.1452","","","","","","1.128","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154860","16.6528","0.0007","6.6881","0.0003","13.5348","0.0006","90","","113.809","0.002","90","","1379.16","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,3'-carbonylbis(4<i>H</i>-chromen-4-one)","","- C19 H10 O5 -","- C19 H10 O5 -","- C76 H40 O20 -","4","1","","Miliutina, Mariia; Ejaz, Syeda Abida; Iaroshenko, Viktor O.; Villinger, Alexander; Iqbal, Jamshed; Langer, Peter","Synthesis of 3,3'-carbonyl-bis(chromones) and their activity as mammalian alkaline phosphatase inhibitors.","Organic & biomolecular chemistry","2015","14","2","495","502","10.1039/c5ob01350j","","","0.71073","MoKα","","0.0484","0.041","","","0.1032","0.1076","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154861","6.9459","0.0003","8.6534","0.0004","14.8426","0.0007","74.281","0.002","81.211","0.002","68.824","0.002","799.27","0.06","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","3,3'-carbonylbis(6-methoxy-4<i>H</i>-chromen-4-one)","","- C21 H14 O7 -","- C21 H14 O7 -","- C42 H28 O14 -","2","1","","Miliutina, Mariia; Ejaz, Syeda Abida; Iaroshenko, Viktor O.; Villinger, Alexander; Iqbal, Jamshed; Langer, Peter","Synthesis of 3,3'-carbonyl-bis(chromones) and their activity as mammalian alkaline phosphatase inhibitors.","Organic & biomolecular chemistry","2015","14","2","495","502","10.1039/c5ob01350j","","","0.71073","MoKα","","0.0491","0.0387","","","0.0984","0.1057","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154862","4.7377","0.0005","21.5338","0.0019","10.5144","0.0008","90","","101.413","0.009","90","","1051.48","0.17","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Imidacloprid-olefin","","","- C9 H8 Cl N5 O2 -","- C9 H8 Cl N5 O2 -","- C36 H32 Cl4 N20 O8 -","4","1","","Fusetto, Roberto; White, Jonathan M.; Hutton, Craig A.; O'Hair, Richard A J","Structure of olefin-imidacloprid and gas-phase fragmentation chemistry of its protonated form.","Organic & biomolecular chemistry","2016","14","5","1715","1726","10.1039/c5ob02371h","","","1.5418","CuKα","","0.0654","0.0525","","","0.1398","0.1554","","","","","","1.091","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154863","6.892","0.0014","16.172","0.003","25.048","0.006","90","","100.1","0.03","90","","2748.5","1","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 N2 -","- C38 H26 N2 -","- C152 H104 N8 -","4","1","","Ge, Qingmei; Li, Bin; Wang, Baiquan","Synthesis of substituted benzo[ij]imidazo[2,1,5-de]quinolizine by rhodium(iii)-catalyzed multiple C-H activation and annulations.","Organic & biomolecular chemistry","2016","14","5","1814","1821","10.1039/c5ob02515j","","","0.71073","MoKα","","0.0989","0.0668","","","0.1513","0.169","","","","","","1.064","","","","has coordinates,has disorder","301861","2025-08-22","11:12:26",""
"7154864","16.4941","0.0007","16.4941","0.0007","24.5221","0.0009","90","","90","","90","","6671.4","0.5","100","0.1","100","0.1","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C69 H78 Cl2 N4 O14 -","- C69 H78 Cl2 N4 O14 -","- C276 H312 Cl8 N16 O56 -","4","0.5","","Grzybowski, Marek; Jeżewski, Artur; Deperasińska, Irena; Friese, Daniel H.; Banasiewicz, Marzena; Hugues, Vincent; Kozankiewicz, Bolesław; Blanchard-Desce, Mireille; Gryko, Daniel T.","Solvatofluorochromic, non-centrosymmetric π-expanded diketopyrrolopyrrole.","Organic & biomolecular chemistry","2016","14","6","2025","2033","10.1039/c5ob02583d","","","1.54184","CuKα","","0.1402","0.0749","","","0.1875","0.2164","","","","","","0.961","","","","has coordinates","176172","2020-10-21","18:00:00",""
"7154865","8.894","0.003","8.626","0.003","23.755","0.009","90","","99.61","0.007","90","","1796.9","1.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Mayakrishnan, Sivakalai; Arun, Yuvaraj; Balachandran, Chandrasekar; Emi, Nobuhiko; Muralidharan, Doraiswamy; Perumal, Paramasivan Thirumalai","Synthesis of cinnolines via Rh(iii)-catalysed dehydrogenative C-H/N-H functionalization: aggregation induced emission and cell imaging.","Organic & biomolecular chemistry","2016","14","6","1958","1968","10.1039/c5ob02045j","","","0.71073","MoKα","","0.0986","0.0524","","","0.125","0.147","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154866","12.02","0.003","12.515","0.005","15.361","0.005","89.45","0.02","69.94","0.014","72.86","0.016","2063.4","1.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H36 Cl N3 O3 -","- C43 H36 Cl N3 O3 -","- C86 H72 Cl2 N6 O6 -","2","2","","Huang, Huicai; Bihani, Manisha; Zhao, John C.-G.","Stereoselective synthesis of spirooxindole derivatives using an organocatalyzed tandem Michael-Michael reaction.","Organic & biomolecular chemistry","2016","14","5","1755","1763","10.1039/c5ob02348c","","","0.71073","MoKα","","0.1406","0.1237","","","0.3204","0.3419","","","","","","1.954","","","","has coordinates","176179","2020-10-21","18:00:00",""
"7154867","9.9232","0.0013","21.836","0.002","11.4086","0.0013","90","","96.272","0.004","90","","2457.3","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 O3 P -","- C31 H27 O3 P -","- C124 H108 O12 P4 -","4","1","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","0.71075","MoKα","","0.0523","0.0484","","","0.1405","0.143","","","","","","1.041","","","","has coordinates","176181","2020-10-21","18:00:00",""
"7154868","11.829","0.003","11.011","0.003","16.248","0.004","90","","93.341","0.007","90","","2112.7","0.9","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 O2 P -","- C26 H27 O2 P -","- C104 H108 O8 P4 -","4","1","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","0.71075","MoKα","","0.041","0.0369","","","0.109","0.1113","","","","","","1.078","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154869","9.345","0.004","10.512","0.003","14.341","0.004","98.497","0.002","106.816","0.011","110.513","0.008","1213.3","0.7","125","","125","","","","","","","","","4","P 1","P 1","1","","","","- C28 H29 O5 P -","- C28 H29 O5 P -","- C56 H58 O10 P2 -","2","2","","Aitken, R. Alan; Karodia, Nazira; McCarron, Hollie B.; Rouxel, Cécile; Sahabo, Nina; Slawin, Alexandra M. Z.","Synthesis, structure and pyrolysis of stabilised phosphonium ylides containing saturated oxygen heterocycles.","Organic & biomolecular chemistry","2016","14","5","1794","1804","10.1039/c5ob02467f","","","1.54187","CuKα","","0.0589","0.057","","","0.1352","0.1371","","","","","","1.027","","","","has coordinates","176181","2020-10-21","18:00:00",""
"7154870","10.0529","0.0007","10.0781","0.0008","13.2162","0.0009","79.723","0.005","74.59","0.006","72.609","0.007","1224.69","0.16","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","(rac)-(5S,6S,7S,8R)-Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-5-(3,4,5-trimethoxyphenyl) -7-( dimethoxyphosphoryl)-, methyl ester","","- C24 H29 O11 P -","- C24 H29 O11 P -","- C48 H58 O22 P2 -","2","1","","Koprowski, Marek; Bałczewski, Piotr; Owsianik, Krzysztof; Różycka-Sokołowska, Ewa; Marciniak, Bernard","Total synthesis of (±)-epithuriferic acid methyl ester via Diels-Alder reaction.","Organic & biomolecular chemistry","2016","14","5","1822","1830","10.1039/c5ob02368h","","x-ray","1.54184","CuKα","","0.0663","0.0589","","","0.1887","0.2115","","","","","","1.156","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154871","10.9953","0.0004","27.3594","0.0008","9.1869","0.0004","90","","111.321","0.004","90","","2574.5","0.18","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(rac)-(5R,6R,7S,8R)-5,8-Epoxynaphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-7-(dimethoxyphosphoryl) -5-(3,4,5-trimethoxyphenyl)-, methyl ester","","- C24 H27 O11 P -","- C24 H27 O11 P -","- C96 H108 O44 P4 -","4","1","","Koprowski, Marek; Bałczewski, Piotr; Owsianik, Krzysztof; Różycka-Sokołowska, Ewa; Marciniak, Bernard","Total synthesis of (±)-epithuriferic acid methyl ester via Diels-Alder reaction.","Organic & biomolecular chemistry","2016","14","5","1822","1830","10.1039/c5ob02368h","","","0.71073","MoKα","","0.0664","0.0599","","","0.1806","0.1879","","","","","","1.076","","","","has coordinates,has disorder","301861","2025-08-22","11:12:26",""
"7154872","9.9116","0.0019","24.089","0.004","12.239","0.002","90","","95.877","0.003","90","","2906.8","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(N-Cbz-D-Ser-L-Ala-N-Me-L-Cys-N-Me-D-Val)2 (Serine-hydroxy)-Dilactone Disulfide","","- C52 H74 N8 O16 S2 -","- C52 H74 N8 O16 S2 -","- C104 H148 N16 O32 S4 -","2","1","","Hattori, Kozo; Koike, Kota; Okuda, Kensuke; Hirayama, Tasuku; Ebihara, Masahiro; Takenaka, Mei; Nagasawa, Hideko","Solution-phase synthesis and biological evaluation of triostin A and its analogues.","Organic & biomolecular chemistry","2016","14","6","2090","2111","10.1039/c5ob02505b","","","0.71075","MoKα","","0.1015","0.0604","","","0.0976","0.1139","","","","","","1.079","","","","has coordinates,has disorder","176167","2020-10-21","18:00:00",""
"7154873","15.515","0.004","17.783","0.005","22.102","0.006","90","","90","","90","","6098","3","138","2","138","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-(Quinoxaline-2-carbonyl)-D-Ser-L-Ala-N-Me-L-Cys-N-Me-D-Val]2 (Serine-hydroxy)-Dilactone Disulfide","","- C50 H68 N12 O15 S2 -","- C50 H62 N12 O15 S2 -","- C200 H248 N48 O60 S8 -","4","1","","Hattori, Kozo; Koike, Kota; Okuda, Kensuke; Hirayama, Tasuku; Ebihara, Masahiro; Takenaka, Mei; Nagasawa, Hideko","Solution-phase synthesis and biological evaluation of triostin A and its analogues.","Organic & biomolecular chemistry","2016","14","6","2090","2111","10.1039/c5ob02505b","","","0.71075","MoKα","","0.2746","0.1654","","","0.372","0.4402","","","","","","1.098","","","","has coordinates","176167","2020-10-21","18:00:00",""
"7154874","9.2664","0.0007","23.3329","0.0017","14.1502","0.0011","90","","107.667","0.002","90","","2915.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 N3 O2 -","- C34 H37 N3 O2 -","- C136 H148 N12 O8 -","4","1","","Biswal, Biswonath; Mallick, Debajani; Bag, Bamaprasad","Signaling preferences of substituted pyrrole coupled six-membered rhodamine spirocyclic probes for Hg(2+) ion detection.","Organic & biomolecular chemistry","2016","14","7","2241","2248","10.1039/c5ob02606g","","","0.71073","MoKα","","0.1674","0.0872","","","0.2039","0.25","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154875","11.9899","0.0009","12.8443","0.0013","13.7345","0.0009","106.461","0.007","90.28","0.006","95.846","0.007","2016.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O5 -","- C25 H17 N O5 -","- C100 H68 N4 O20 -","4","2","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","1.54184","CuKα","","0.1308","0.0947","","","0.2736","0.3265","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154876","9.1585","0.0003","15.4867","0.0004","15.0435","0.0004","90","","107.598","0.003","90","","2033.84","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H17 N O5 -","- C25 H17 N O5 -","- C100 H68 N4 O20 -","4","2","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0675","0.047","","","0.1211","0.1394","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154877","9.2495","0.001","8.8594","0.0007","26.022","0.003","90","","115.322","0.012","90","","1927.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0991","0.0685","","","0.2078","0.258","","","","","","1.108","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154878","8.3205","0.0003","26.25","0.001","8.5535","0.0003","90","","100.859","0.004","90","","1834.74","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N O4 -","- C22 H18 F N O4 -","- C88 H72 F4 N4 O16 -","4","1","","Biswas, Soumen; Dagar, Anuradha; Mobin, Shaikh M.; Samanta, Sampak","DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles.","Organic & biomolecular chemistry","2016","14","6","1940","1945","10.1039/c5ob02400e","","","0.71073","MoKα","","0.0788","0.0597","","","0.1934","0.2293","","","","","","1.163","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154879","8.9739","0.0013","9.832","0.0014","11.477","0.0016","108.891","0.003","91.301","0.003","95.799","0.003","951.5","0.2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","ritmc11","","","- C20 H21 Cl O2 Si -","- C20 H21 Cl O2 Si -","- C40 H42 Cl2 O4 Si2 -","2","1","","Thomas, Thomas J.; Merritt, Benjamin A.; Lemma, Betsegaw E.; McKoy, Adina M.; Nguyen, Tri; Swenson, Andrew K.; Mills, Jeffrey L.; Coleman, Michael G.","Cyclopropenation of internal alkynylsilanes and diazoacetates catalyzed by copper(i) N-heterocyclic carbene complexes.","Organic & biomolecular chemistry","2016","14","5","1742","1747","10.1039/c5ob02259b","","","0.71073","MoKα","","0.0417","0.0334","","","0.093","0.0985","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154880","9.3651","0.0003","19.533","0.0006","12.7944","0.0004","90","","109.83","0.001","90","","2201.68","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N5 O5 S3 -","- C17 H27 N5 O5 S3 -","- C68 H108 N20 O20 S12 -","4","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0433","0.0321","","","0.0782","0.0835","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:26",""
"7154881","8.9413","0.0004","11.7201","0.0005","13.5584","0.0006","95.727","0.001","94.027","0.001","105.992","0.001","1351.91","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cl2 N3 O7 S2 -","- C24 H29 Cl2 N3 O7 S2 -","- C48 H58 Cl4 N6 O14 S4 -","2","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0358","0.0307","","","0.0766","0.0801","","","","","","0.993","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154882","8.9873","0.0005","11.099","0.0006","13.0584","0.0007","70.595","0.001","76.291","0.001","83.975","0.002","1193.09","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N3 O6 S2 -","- C23 H27 N3 O6 S2 -","- C46 H54 N6 O12 S4 -","2","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0502","0.0379","","","0.1018","0.1091","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154883","11.7894","0.0015","14.752","0.002","14.5737","0.0019","90","","113.86","","90","","2318","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N3 O6 S2 -","- C23 H27 N3 O6 S2 -","- C92 H108 N12 O24 S8 -","4","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0761","0.0391","","","0.0681","0.0748","","","","","","0.816","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154884","12.9462","0.0007","14.7915","0.0007","21.2167","0.0008","90","","90","","90","","4062.9","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N3 O6 S -","- C18 H23 N3 O6 S -","- C144 H184 N24 O48 S8 -","8","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.0996","0.0565","","","0.1307","0.1488","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154885","8.926","0.0008","15.4665","0.0007","17.789","0.0015","90","","99.9","0.003","90","","2419.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N4 O3 S -","- C27 H28 N4 O3 S -","- C108 H112 N16 O12 S4 -","4","1","","Blackburn, J.; Molyneux, G.; Pitard, A.; Rice, C. R.; Page, M. I.; Afshinjavid, S.; Javid, F. A.; Coles, S. J.; Horton, P. N.; Hemming, K.","Synthesis, conformation and antiproliferative activity of isothiazoloisoxazole 1,1-dioxides.","Organic & biomolecular chemistry","2016","14","6","2134","2144","10.1039/c5ob02586a","","","0.71073","MoKα","","0.1628","0.0734","","","0.1359","0.1645","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154886","22.546","0.014","9.314","0.01","10.283","0.009","90","","98.43","0.06","90","","2136","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O3 -","- C25 H30 N2 O3 -","- C100 H120 N8 O12 -","4","1","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.0697","0.0415","","","0.0902","0.0974","","","","","","0.869","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154887","12.1292","0.0018","14.039","0.002","12.6549","0.0019","90","","115.27","0.003","90","","1948.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 N O4 Si -","- C17 H31 N O4 Si -","- C68 H124 N4 O16 Si4 -","4","1","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.0645","0.0408","","","0.0901","0.0961","","","","","","0.896","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154888","10.4841","0.0007","13.2138","0.0009","33.919","0.002","90","","93.494","0.001","90","","4690.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C208 H264 N8 O40 -","8","2","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.094","0.0449","","","0.0962","0.1167","","","","","","0.87","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154889","11.874","0.003","18.239","0.004","9.829","0.002","90","","94.881","0.004","90","","2120.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C96 H112 N8 O12 -","4","1","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.1041","0.0534","","","0.0905","0.1032","","","","","","0.928","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154890","13.818","0.002","14.714","0.002","14.863","0.003","76.01","0.004","82.84","0.004","70.291","0.003","2757.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N3 O7 S -","- C30 H30 N3 O7 S -","- C120 H120 N12 O28 S4 -","4","2","","Broadley, Kenneth J.; Buffat, Maxime G. P.; Burnell, Erica; Davies, Robin H.; Moreau, Xavier; Snee, Stephen; Thomas, Eric J.","Stereoselective synthesis of oxazolidinonyl-fused piperidines of interest as selective muscarinic (M1) receptor agonists: a novel M1 allosteric modulator.","Organic & biomolecular chemistry","2016","14","6","2057","2089","10.1039/c5ob02588e","","","0.71073","MoKα","","0.2054","0.0668","","","0.1249","0.2176","","","","","","0.82","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7154891","12.5236","0.0003","7.538","0.0002","12.9539","0.0003","90","","92.676","0.002","90","","1221.55","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 S2 -","- C24 H30 N2 O6 S2 -","- C48 H60 N4 O12 S4 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0556","0.0482","","","0.1157","0.123","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154892","13.1356","0.0002","7.0352","0.0001","14.6189","0.0002","90","","112.865","0.0008","90","","1244.81","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 S2 -","- C24 H30 N2 O6 S2 -","- C48 H60 N4 O12 S4 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0546","0.0474","","","0.1106","0.13","","","","","","1.28","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154893","8.1388","0.0002","9.6226","0.0002","9.754","0.0002","117.197","0.0015","112.306","0.0017","92.1331","0.0015","607.64","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C28 H22 N2 O4 S2 -","2","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","0.71073","MoKα","","0.0415","0.0347","","","0.0909","0.0958","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154894","4.7902","0.0001","12.6722","0.0002","16.8843","0.0003","90","","90","","90","","1024.92","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","1.54184","CuKα","","0.044","0.0418","","","0.1174","0.1206","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154895","27.353","0.006","10.741","0.002","26.149","0.005","90","","107.5","0.03","90","","7327","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetrabutylammonium di(bis(diphenylphosphino)methane)hexacyanodimolybdate .dihydrate.2 acetonitrile","","- C76 H90 Mo2 N9 O2 P4 -","- C76 H90 Mo2 N9 O2 P4 -","- C304 H360 Mo8 N36 O8 P16 -","4","0.5","","Badigenchala, Sindhura; Rajeshkumar, Venkatachalam; Sekar, Govindasamy","Iodine mediated intramolecular C2-amidative cyclization of indoles: a facile access to indole fused tetracycles.","Organic & biomolecular chemistry","2016","14","7","2297","2305","10.1039/c5ob02449h","","","0.71073","MoKα","","0.0995","0.0602","","","0.1166","0.1311","","","","","","1.052","","","","has coordinates","177905","2020-10-21","18:00:00",""
"7154896","12.1784","0.0003","10.455","0.0002","22.4818","0.0004","90","","99.8798","0.0018","90","","2820.05","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H88 O11 Si -","- C55 H88 O11 Si -","- C110 H176 O22 Si2 -","2","1","","Zhang, Wenxuan; Wu, Jun; Li, Bo; Wu, Hongna; Wang, Liu; Hao, Jie; Wu, Song; Zhou, Qi","Structure-activity & structure-toxicity relationship study of salinomycin diastereoisomers and their benzoylated derivatives.","Organic & biomolecular chemistry","2016","14","10","2840","2845","10.1039/c5ob02303c","","x-ray","1.54184","CuKα","","0.0541","0.0447","","","0.1202","0.1312","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154897","12.087","0.003","21.192","0.005","12.419","0.003","90","","93.461","0.005","90","","3175.3","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H28 N3 O6 P -","- C36 H28 N3 O6 P -","- C144 H112 N12 O24 P4 -","4","1","","Chuang, Shih-Ching; Sung, Shih-Ping; Deng, Jie-Cheng; Chiou, Mong-Feng; Hsu, Day-Shin","Multicomponent reactions of phosphines, enynedioates and benzylidene malononitriles generated highly substituted cyclopentenes through an unexpected phosphine α-addition-δ-evolvement of an anion pathway.","Organic & biomolecular chemistry","2016","14","7","2306","2317","10.1039/c5ob02445e","","","0.71073","MoKα","","0.0269","0.0259","","","0.0619","0.0627","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154898","10.4651","0.0007","27.3604","0.0018","11.6914","0.0009","90","","112.634","0.002","90","","3089.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N3 O6 P -","- C36 H28 N3 O6 P -","- C144 H112 N12 O24 P4 -","4","1","","Chuang, Shih-Ching; Sung, Shih-Ping; Deng, Jie-Cheng; Chiou, Mong-Feng; Hsu, Day-Shin","Multicomponent reactions of phosphines, enynedioates and benzylidene malononitriles generated highly substituted cyclopentenes through an unexpected phosphine α-addition-δ-evolvement of an anion pathway.","Organic & biomolecular chemistry","2016","14","7","2306","2317","10.1039/c5ob02445e","","","0.71073","MoKα","","0.0635","0.0424","","","0.1242","0.162","","","","","","1.106","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154899","9.6198","0.0008","11.1689","0.0009","13.4682","0.0006","113.744","0.006","93.929","0.005","90.612","0.007","1320.3","0.18","251","18","251","18","","","","","","","","5","P -1","-P 1","2","","spiroindolopyrrole","","- C32 H24 Br N3 O3 -","- C32 H24 Br N3 O3 -","- C64 H48 Br2 N6 O6 -","2","1","","Muthusamy, Sengodagounder; Kumar, Singaravelan Ganesh","Copper(i) catalyzed diastereoselective multicomponent synthesis of spiroindolo-pyrrolidines/-imidazolidines/-triazolidines from diazoamides via azomethine ylides.","Organic & biomolecular chemistry","2016","14","7","2228","2240","10.1039/c5ob02322j","","","0.7107","MoKα","","0.0877","0.0513","","","0.1299","0.162","","","","","","0.883","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154900","13.4366","0.0009","9.3183","0.0006","23.8673","0.0016","90","","91.562","0.001","90","","2987.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","spiroindoloimidazolidine","imidazolidine","","- C36 H31 N3 O3 S -","- C36 H31 N3 O3 S -","- C144 H124 N12 O12 S4 -","4","1","","Muthusamy, Sengodagounder; Kumar, Singaravelan Ganesh","Copper(i) catalyzed diastereoselective multicomponent synthesis of spiroindolo-pyrrolidines/-imidazolidines/-triazolidines from diazoamides via azomethine ylides.","Organic & biomolecular chemistry","2016","14","7","2228","2240","10.1039/c5ob02322j","","","0.71073","MoKα","","0.0633","0.05","","","0.1323","0.1412","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154901","7.1207","0.0005","7.6201","0.0005","25.3427","0.0017","90","","96.993","0.001","90","","1364.88","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-(hydroxymethyl)phenyl)-2-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","x-ray","0.71073","MoKα","","0.0391","0.0376","","","0.107","0.1085","","","","","","1.1","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154902","5.8608","0.0011","13.688","0.003","27.498","0.005","90","","90","","90","","2206","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-N-(2-(((1-(Naphthalen-2-yl)ethyl)imino)methyl)phenyl)-2-naphthamide","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C120 H96 N8 O4 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","x-ray","0.71073","MoKα","","0.1676","0.1288","","","0.2958","0.3111","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154903","24.4271","0.0014","3.7892","0.0003","14.3031","0.0007","90","","90","","90","","1323.88","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-formylphenyl)-2-naphthamide","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","","0.71073","MoKα","","0.0457","0.0372","","","0.0934","0.097","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154904","11.98","0.003","13.777","0.003","14.492","0.003","83.296","0.005","80.97","0.005","87.489","0.005","2345.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H21 Cl2 N2 O3.5 -","- C25.5 H21 Cl2 N2 O3.5 -","- C102 H84 Cl8 N8 O14 -","4","2","","Zhao, Yulei; Duan, Qizhao; Zhou, Yuanyuan; Yao, Qiyi; Li, Yanzhong","Gold-catalyzed chemo- and diastereoselective C(sp(2))-H functionalization of enaminones for the synthesis of pyrrolo[3,4-c]-quinolin-1-one derivatives.","Organic & biomolecular chemistry","2016","14","7","2177","2181","10.1039/c5ob02556g","","","0.71073","MoKα","","0.1326","0.0787","","","0.1858","0.2211","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154905","7.0166","0.0005","13.28","0.0009","13.9998","0.001","66.514","0.001","85.309","0.001","89.301","0.001","1192.13","0.15","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Cl5 N2 O2 -","- C25 H17 Cl5 N2 O2 -","- C50 H34 Cl10 N4 O4 -","2","1","","Zhao, Yulei; Duan, Qizhao; Zhou, Yuanyuan; Yao, Qiyi; Li, Yanzhong","Gold-catalyzed chemo- and diastereoselective C(sp(2))-H functionalization of enaminones for the synthesis of pyrrolo[3,4-c]-quinolin-1-one derivatives.","Organic & biomolecular chemistry","2016","14","7","2177","2181","10.1039/c5ob02556g","","","0.71073","MoKα","","0.0681","0.0537","","","0.1357","0.1467","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154906","10.8633","0.0016","11.9397","0.0018","12.4101","0.0019","88.791","0.002","73.634","0.002","78.963","0.002","1514.9","0.4","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C31 H41 N3 O5 S -","- C31 H41 N3 O5 S -","- C62 H82 N6 O10 S2 -","2","1","","Andreini, Manuel; Chapellas, Fabien; Diab, Sonia; Pasturaud, Karine; Piettre, Serge R.; Legros, Julien; Chataigner, Isabelle","Addition of 4-(cyclohex-1-en-1-yl)morpholine on 3-nitroindole: an unprecedented dearomatizing process.","Organic & biomolecular chemistry","2016","14","10","2833","2839","10.1039/c5ob02595h","","x-ray","0.71073","MoKα","","0.0755","0.0641","","","0.1804","0.1921","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154907","15.3949","0.0014","9.5101","0.0009","16.3426","0.0015","90","","110.86","0.002","90","","2235.8","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C96 H104 N8 O16 S4 -","4","1","","Andreini, Manuel; Chapellas, Fabien; Diab, Sonia; Pasturaud, Karine; Piettre, Serge R.; Legros, Julien; Chataigner, Isabelle","Addition of 4-(cyclohex-1-en-1-yl)morpholine on 3-nitroindole: an unprecedented dearomatizing process.","Organic & biomolecular chemistry","2016","14","10","2833","2839","10.1039/c5ob02595h","","x-ray","0.71073","MoKα","","0.067","0.0545","","","0.1323","0.1416","","","","","","0.95","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154908","10.4217","0.0009","10.697","0.0009","11.331","0.001","68.223","0.001","65.391","0.001","66.066","0.001","1018.2","0.15","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C44 H44 N4 O12 -","2","1","","Andreini, Manuel; Chapellas, Fabien; Diab, Sonia; Pasturaud, Karine; Piettre, Serge R.; Legros, Julien; Chataigner, Isabelle","Addition of 4-(cyclohex-1-en-1-yl)morpholine on 3-nitroindole: an unprecedented dearomatizing process.","Organic & biomolecular chemistry","2016","14","10","2833","2839","10.1039/c5ob02595h","","x-ray","0.71073","MoKα","","0.0589","0.0491","","","0.1214","0.1288","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154909","20.7675","0.0011","9.1432","0.0004","22.9483","0.0013","90","","90","","90","","4357.5","0.4","122","2","122","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C240 H160 N16 -","8","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","x-ray","0.71073","MoKα","","0.0682","0.0396","","","0.0814","0.0923","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154910","8.4949","0.0003","9.3648","0.0004","13.7906","0.0006","109.695","0.0014","101.587","0.0012","94.8212","0.0013","998.07","0.07","122","","122","","","","","","","","","3","P -1","-P 1","2","","2,3,7-triphenylazulene-1-carbonitrile","","- C29 H19 N -","- C29 H19 N -","- C58 H38 N2 -","2","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","x-ray","0.71073","MoKα","","0.0757","0.0492","","","0.1197","0.1334","","","","","","1.023","","","","has coordinates","177918","2020-10-21","18:00:00",""
"7154911","7.8828","0.0006","19.5599","0.0018","15.6723","0.0015","90","","99.621","0.003","90","","2382.5","0.4","122","2","122","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 N Si -","- C28 H31 N Si -","- C112 H124 N4 Si4 -","4","1","","Petersen, Anne Ugleholdt; Jevric, Martyn; Elm, Jonas; Olsen, Stine T.; Tortzen, Christian G.; Kadziola, Anders; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes.","Organic & biomolecular chemistry","2016","14","8","2403","2412","10.1039/c5ob02523k","","","0.71073","MoKα","","0.0612","0.0402","","","0.1126","0.1301","","","","","","0.941","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154912","12.438","0.007","11.805","0.007","8.68","0.004","90","","105.022","0.011","90","","1230.9","1.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl-a-hydroxy(quinoline-2-yl)propanoate","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Kumar, Rakesh; Kumar, Inder; Sharma, Ritika; Sharma, Upendra","Catalyst and solvent-free alkylation of quinoline N-oxides with olefins: A direct access to quinoline-substituted α-hydroxy carboxylic derivatives.","Organic & biomolecular chemistry","2016","14","9","2613","2617","10.1039/c5ob02600h","","","1.5419","CuKα","","","0.0496","","","","0.1532","","","","","","1.134","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154913","7.1213","0.0003","8.9288","0.0003","29.9909","0.0012","90","","90","","90","","1906.96","0.13","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19.35 H24.7 N2 O8 -","- C19.35 H24.7 N2 O8 -","- C77.4 H98.8 N8 O32 -","4","1","","Giacometti, Robert D.; Salinas, Juan C.; Østergaard, Michael E; Swayze, Eric E.; Seth, Punit P.; Hanessian, Stephen","Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA.","Organic & biomolecular chemistry","2016","14","6","2034","2040","10.1039/c5ob02576a","","x-ray","1.34139","GaKα","","0.0436","0.0422","","","0.1084","0.1096","","","","","","1.096","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7154914","14.2003","0.0003","7.6452","0.0002","17.2049","0.0004","90","","113.49","0.001","90","","1713.05","0.07","100.15","","100.15","","","","","","","","Synthesized by the authors. See text.","4","P 1 21 1","P 2yb","4","","","","- C40 H35 N3 O10 -","- C40 H35 N3 O10 -","- C80 H70 N6 O20 -","2","1","","Giacometti, Robert D.; Salinas, Juan C.; Østergaard, Michael E; Swayze, Eric E.; Seth, Punit P.; Hanessian, Stephen","Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA.","Organic & biomolecular chemistry","2016","14","6","2034","2040","10.1039/c5ob02576a","","x-ray","1.54178","CuKα","","0.0693","0.0555","","","0.1381","0.1437","","","","","","0.974","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7154915","8.8629","0.001","9.1256","0.001","10.0677","0.0011","64.158","0.002","68.43","0.002","81.687","0.002","681.4","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Cl N2 S -","- C15 H13 Cl N2 S -","- C30 H26 Cl2 N4 S2 -","2","1","","Ravi, Chitrakar; Chandra Mohan, Darapaneni; Adimurthy, Subbarayappa","Dual role of p-tosylchloride: copper-catalyzed sulfenylation and metal free methylthiolation of imidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","7","2282","2290","10.1039/c5ob02475g","","","0.71073","MoKα","","0.0352","0.0341","","","0.0917","0.0926","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154916","9.1243","0.0003","11.1741","0.0003","13.3627","0.0005","90","","103.947","0.0013","90","","1322.24","0.08","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(4bS,4b1S,6R,7S,7aR,12bS)-7-(benzyloxy)-6-((benzyloxy)methyl)-4b1,6,7,7a,12b,13-hexahydro-4bH-benzo[h]chromeno[2,3,4-de]chromene","","- C33 H31 N O4 -","- C33 H31 N O4 -","- C66 H62 N2 O8 -","2","1","","Moshapo, Paseka T.; Sokamisa, Mokela; Mmutlane, Edwin M.; Mampa, Richard M.; Kinfe, Henok H.","A convenient domino Ferrier rearrangement-intramolecular cyclization for the synthesis of novel benzopyran-fused pyranoquinolines.","Organic & biomolecular chemistry","2016","14","24","5627","5638","10.1039/c5ob02536b","","","0.71073","MoKα","","0.0554","0.0404","","","0.0949","0.106","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154917","5.9198","0.0002","8.4943","0.0004","26.9054","0.0011","90","","90","","90","","1352.93","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O S2 -","- C14 H11 Br O S2 -","- C56 H44 Br4 O4 S8 -","4","1","","Yu, Jin-Sheng; Wu, Wen-Biao; Zhou, Feng","The first catalytic asymmetric thioacetalization by chiral phosphoric acid catalysis.","Organic & biomolecular chemistry","2016","14","7","2205","2209","10.1039/c5ob02495a","","","0.71073","MoKα","","0.0316","0.0266","","","0.0608","0.063","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154918","11.116","0.003","11.26","0.003","11.711","0.003","63.523","0.015","71.584","0.017","69.128","0.017","1204.2","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C54 H60 N4 O10 -","2","1","","Mane, Vaijinath; Pandey, Jyoti; Ayyagari, Narasihmam; Dey, Chandan; Kale, Raju; Namboothiri, Irishi N. N.","Synthesis of hydrazinoheterocycles from Morita-Baylis-Hillman adducts of nitroalkenes with azodicarboxylates.","Organic & biomolecular chemistry","2016","14","8","2427","2438","10.1039/c5ob02656c","","","0.71075","MoKα","","0.0527","0.0421","","","0.0969","0.1031","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154919","9.777","0.005","10.159","0.005","10.306","0.005","102.265","0.007","100.48","0.006","90.508","0.008","982.4","0.8","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H27 N3 O6 -","- C16 H27 N3 O6 -","- C32 H54 N6 O12 -","2","1","","Mane, Vaijinath; Pandey, Jyoti; Ayyagari, Narasihmam; Dey, Chandan; Kale, Raju; Namboothiri, Irishi N. N.","Synthesis of hydrazinoheterocycles from Morita-Baylis-Hillman adducts of nitroalkenes with azodicarboxylates.","Organic & biomolecular chemistry","2016","14","8","2427","2438","10.1039/c5ob02656c","","","0.7107","MoKα","","","0.0518","","","","0.167","","","","","","0.733","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154920","8.0789","0.0005","5.2425","0.0005","31.267","0.002","90","","95.173","0.005","90","","1318.88","0.17","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 F2 -","- C14 H10 Br2 F2 -","- C56 H40 Br8 F8 -","4","1","","Galán, Elena; Perrin, Mickael L.; Lutz, Martin; van der Zant, Herre S. J.; Grozema, Ferdinand C.; Eelkema, Rienk","Synthesis of 1,2-biphenylethane based single-molecule diodes.","Organic & biomolecular chemistry","2016","14","8","2439","2443","10.1039/c6ob00008h","","","0.71073","MoKα","","0.0821","0.0675","","","0.1836","0.194","","","","","","1.18","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154921","6.4983","0.0017","10.457","0.003","27.274","0.007","90","","90","","90","","1853.3","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 I N O5 -","- C16 H20 I N O5 -","- C64 H80 I4 N4 O20 -","4","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.0905","0.0454","","","0.0756","0.0924","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154922","9.834","0.0009","8.999","0.0008","14.7646","0.0014","90","","106.422","0.0014","90","","1253.3","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 I N O6 -","- C27 H26 I N O6 -","- C54 H52 I2 N2 O12 -","2","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.0352","0.0281","","","0.059","0.0626","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154923","6.5131","0.0013","16.581","0.003","8.9446","0.0018","90","","95.961","0.003","90","","960.7","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 I N O5 -","- C17 H22 I N O5 -","- C34 H44 I2 N2 O10 -","2","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.048","0.0374","","","0.0725","0.0765","","","","","","0.964","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154924","9.9601","0.0008","10.8355","0.0007","23.6278","0.0013","90","","90","","90","","2550","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C112 H108 N4 O20 S4 -","4","1","","Li, Ji-Yao; Li, Zhi-Long; Zhao, Wei-Wei; Liu, Yan-Kai; Tong, Zhi-Ping; Tan, Rui","One-pot, highly efficient, asymmetric synthesis of ring-fused piperidine derivatives bearing N,O- or N,N-acetal moieties.","Organic & biomolecular chemistry","2016","14","8","2444","2453","10.1039/c5ob02571k","","","1.54184","CuKα","","0.0585","0.0479","","","0.1291","0.1383","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154925","10.0985","0.0008","14.8716","0.0011","17.4835","0.0013","90","","90","","90","","2625.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N O5 S -","- C28 H31 N O5 S -","- C112 H124 N4 O20 S4 -","4","1","","Li, Ji-Yao; Li, Zhi-Long; Zhao, Wei-Wei; Liu, Yan-Kai; Tong, Zhi-Ping; Tan, Rui","One-pot, highly efficient, asymmetric synthesis of ring-fused piperidine derivatives bearing N,O- or N,N-acetal moieties.","Organic & biomolecular chemistry","2016","14","8","2444","2453","10.1039/c5ob02571k","","","0.71073","MoKα","","0.0364","0.0333","","","0.089","0.093","","","","","","1.043","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7154926","6.3758","0.0002","10.5378","0.0004","23.8709","0.0009","90","","90","","90","","1603.81","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-2-(4-phenylpiperidin-1-yl)-1,2-dihydronaphthalen-1-ol","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Xu, Xin; Chen, Jingchao; He, Zhenxiu; Zhou, Yongyun; Fan, Baomin","Rhodium-catalyzed asymmetric ring opening reaction of oxabenzonorbornadienes with amines using ZnI2 as the activator.","Organic & biomolecular chemistry","2016","14","8","2480","2486","10.1039/c5ob02331a","","","1.54178","CuKα","","0.0537","0.0536","","","0.1553","0.1554","","","","","","1.111","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154927","10.508","0.0011","35.761","0.004","9.515","0.0016","90","","107.758","0.006","90","","3405.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 F Fe N O2 -","- C20 H20 F Fe N O2 -","- C160 H160 F8 Fe8 N8 O16 -","8","2","","Gee, Yi Sing; Goertz, Neils J. M.; Gardiner, Michael G.; Hyland, Christopher J. T.","Oxidative ring-opening of ferrocenylcyclopropylamines to N-ferrocenylmethyl β-hydroxyamides.","Organic & biomolecular chemistry","2016","14","8","2498","2503","10.1039/c5ob02577j","","","0.7108","Synchrotron","","0.077","0.0624","","","0.1389","0.1474","","","","","","1.076","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7154928","15.109","0.003","14.423","0.003","17.631","0.004","90","","106.507","0.003","90","","3683.7","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3g","","- C36 H29 Cl2 N O4 S -","- C36 H29 Cl2 N O4 S -","- C144 H116 Cl8 N4 O16 S4 -","4","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0937","0.0524","","","0.1542","0.1706","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154929","11.3232","0.0012","12.1598","0.0013","12.2434","0.0013","77.456","0.001","86.223","0.001","69.24","0.001","1538.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5","","- C34 H35 N O4 S -","- C34 H35 N O4 S -","- C68 H70 N2 O8 S2 -","2","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0934","0.0582","","","0.1578","0.1809","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154930","23.7576","0.0014","12.0212","0.0007","21.1978","0.0013","90","","107.987","0.001","90","","5758.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6","","- C34 H33 N O4 S -","- C34 H33 N O4 S -","- C272 H264 N8 O32 S8 -","8","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0614","0.0417","","","0.1095","0.1233","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154931","10.4254","0.0008","10.7238","0.0008","15.1044","0.0011","76.055","0.001","80.857","0.001","63.868","0.001","1468.68","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","7","","- C37 H29 N O5 S -","- C37 H29 N O5 S -","- C74 H58 N2 O10 S2 -","2","1","","Shao, Min; Wu, Yunjun; Feng, Zhijun; Gu, Xiaoxia; Wang, Shaoyin","Synthesis of polysubstituted 1,2-dihydroquinolines and indoles via cascade reactions of arylamines and propargylic alcohols catalyzed by FeCl3·6H2O.","Organic & biomolecular chemistry","2016","14","8","2515","2521","10.1039/c5ob02658j","","","0.71073","MoKα","","0.0789","0.0479","","","0.1335","0.154","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154932","16.478","0.0012","7.1238","0.0005","17.2258","0.0012","90","","101.934","0.004","90","","1978.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bodipy","","","- C21 H26 B F2 N3 O -","- C21 H26 B F2 N3 O -","- C84 H104 B4 F8 N12 O4 -","4","1","","Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne","Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.","Organic & biomolecular chemistry","2016","14","9","2665","2670","10.1039/c5ob02477c","","","0.71073","MoKα","","0.07","0.0525","","","0.1449","0.1582","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154933","8.515","0.0005","9.7941","0.0006","17.2071","0.001","76.58","0.003","76.491","0.003","75.658","0.004","1328.51","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Bodipy","","","- C23 H29 B Cl2 F2 I N3 -","- C23 H29 B Cl2 F2 I N3 -","- C46 H58 B2 Cl4 F4 I2 N6 -","2","1","","Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne","Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.","Organic & biomolecular chemistry","2016","14","9","2665","2670","10.1039/c5ob02477c","","","0.71073","MoKα","","0.1216","0.0852","","","0.21","0.2288","","","","","","1.091","","","","has coordinates","177930","2020-10-21","18:00:00",""
"7154934","6.8808","0.0005","8.3233","0.0006","30.274","0.002","90","","95.36","0.003","90","","1726.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bodipy","","","- C19 H18 B F2 N3 O2 -","- C19 H18 B F2 N3 O2 -","- C76 H72 B4 F8 N12 O8 -","4","1","","Aydın Tekdaş, Duygu; Viswanathan, Geetha; Zehra Topal, Sevinc; Looi, Chung Yeng; Wong, Won Fen; Min Yi Tan, Grace; Zorlu, Yunus; Gürek, Ayşe Gül; Lee, Hong Boon; Dumoulin, Fabienne","Antimicrobial activity of a quaternized BODIPY against Staphylococcus strains.","Organic & biomolecular chemistry","2016","14","9","2665","2670","10.1039/c5ob02477c","","","0.71073","MoKα","","0.0434","0.0405","","","0.1008","0.1023","","","","","","1.133","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154935","10.721","0.0007","20.3638","0.001","12.6324","0.0009","90","","112.71","0.008","90","","2544.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl2 F12 N6 P2 Rh2 -","- C42 H56 Cl2 F12 N6 P2 Rh2 -","- C84 H112 Cl4 F24 N12 P4 Rh4 -","2","0.5","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0642","0.0444","","","0.1067","0.1223","","","","","","1.043","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154936","7.7291","0.0004","15.0891","0.0006","21.358","0.001","90","","90","","90","","2490.9","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl F6 N4 P Rh -","- C20 H27 Cl F6 N4 P Rh -","- C80 H108 Cl4 F24 N16 P4 Rh4 -","4","1","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0448","0.0392","","","0.0965","0.1004","","","","","","1.05","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154937","14.8991","0.0004","15.3359","0.0005","22.4136","0.0009","90","","90","","90","","5121.3","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Cl F6 N4 P Rh -","- C21 H29 Cl F6 N4 P Rh -","- C168 H232 Cl8 F48 N32 P8 Rh8 -","8","1","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0653","0.0477","","","0.118","0.1374","","","","","","1.051","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154938","5.6624","0.0004","13.0517","0.0009","15.2377","0.0008","90","","100.888","0.004","90","","1105.85","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Bichovski, Plamen; Haas, Thomas M.; Keller, Manfred; Streuff, Jan","Direct conjugate alkylation of α,β-unsaturated carbonyls by Ti(III)-catalysed reductive umpolung of simple activated alkenes.","Organic & biomolecular chemistry","2016","14","24","5673","5682","10.1039/c5ob02631h","","","0.71073","MoKα","","0.0572","0.0402","","","0.0892","0.0952","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154939","9.4307","0.0006","17.1837","0.0005","11.8533","0.0006","90","","91.937","0.002","90","","1919.78","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C100 H88 N8 O4 -","4","1","","Bichovski, Plamen; Haas, Thomas M.; Keller, Manfred; Streuff, Jan","Direct conjugate alkylation of α,β-unsaturated carbonyls by Ti(III)-catalysed reductive umpolung of simple activated alkenes.","Organic & biomolecular chemistry","2016","14","24","5673","5682","10.1039/c5ob02631h","","","0.71073","MoKα","","0.1028","0.0454","","","0.0929","0.116","","","","","","0.963","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154940","10.698","0.0016","12.2896","0.0019","12.851","0.002","86.525","0.003","83.202","0.003","87.556","0.003","1673.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H43 Cl2 N3 Pd -","- C36 H43 Cl2 N3 Pd -","- C72 H86 Cl4 N6 Pd2 -","2","1","","Liu, Feng; Zhu, Yi-Ran; Song, Lu-Gan; Lu, Jian-Mei","Synthesis of N-heterocyclic carbene-PdCl2-(iso)quinoline complexes and their application in arylamination at low catalyst loadings.","Organic & biomolecular chemistry","2016","14","8","2563","2571","10.1039/c6ob00013d","","","0.71073","MoKα","","0.0413","0.0326","","","0.1085","0.13","","","","","","1.069","","","","has coordinates","177921","2020-10-21","18:00:00",""
"7154941","10.9476","0.0007","11.5394","0.0007","12.4589","0.0008","90.289","0.006","110.381","0.008","105.805","0.007","1410.87","0.18","193","2","193","2","","","","","","","","3","P 1","P 1","1","","","","- C35 H30 O11 -","- C35 H30 O11 -","- C70 H60 O22 -","2","2","","Zang, Yi; Genta-Jouve, Grégory; Retailleau, Pascal; Escargueil, Alexandre; Mann, Stéphane; Nay, Bastien; Prado, Soizic","Talaroketals A and B, unusual bis(oxaphenalenone) spiro and fused ketals from the soil fungus Talaromyces stipitatus ATCC 10500.","Organic & biomolecular chemistry","2016","14","9","2691","2697","10.1039/c5ob02657a","","","1.54187","CuKα","","0.1084","0.0813","","","0.2031","0.2384","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154942","5.348","0.0011","12.242","0.002","17.786","0.004","90","","93.89","0.03","90","","1161.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Chang, Wenju; Li, Jingfu; Ren, Wenlong; Shi, Yian","Pd-Catalyzed regioselective hydroesterification of 2-allylphenols to seven-membered lactones without external CO gas.","Organic & biomolecular chemistry","2016","14","11","3047","3052","10.1039/c5ob02663f","","","0.71073","MoKα","","0.1251","0.068","","","0.1693","0.2067","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154943","7.363","0.0015","17.941","0.004","8.568","0.0017","90","","91.5","0.03","90","","1131.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Chang, Wenju; Li, Jingfu; Ren, Wenlong; Shi, Yian","Pd-Catalyzed regioselective hydroesterification of 2-allylphenols to seven-membered lactones without external CO gas.","Organic & biomolecular chemistry","2016","14","11","3047","3052","10.1039/c5ob02663f","","","0.71073","MoKα","","0.1981","0.0771","","","0.1257","0.1561","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154944","11.137","0.003","20.633","0.005","8.734","0.002","90","","90","","90","","2007","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Sarkar, Rajib; Mukhopadhyay, Chhanda","Cross-dehydrogenative regioselective Csp(3)-Csp(2) coupling of enamino-ketones followed by rearrangement: an amazing formation route to acridine-1,8-dione derivatives.","Organic & biomolecular chemistry","2016","14","9","2706","2715","10.1039/c5ob02655e","","","0.71073","MoKα","","0.0853","0.0558","","","0.1346","0.152","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154945","7.1242","0.0017","16.492","0.004","15.175","0.004","90","","92.53","0.003","90","","1781.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Cl N O2 -","- C21 H22 Cl N O2 -","- C84 H88 Cl4 N4 O8 -","4","1","","Sarkar, Rajib; Mukhopadhyay, Chhanda","Cross-dehydrogenative regioselective Csp(3)-Csp(2) coupling of enamino-ketones followed by rearrangement: an amazing formation route to acridine-1,8-dione derivatives.","Organic & biomolecular chemistry","2016","14","9","2706","2715","10.1039/c5ob02655e","","","0.71073","MoKα","","0.0557","0.0414","","","0.1006","0.1116","","","","","","0.95","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154946","12.5755","0.0007","16.641","0.001","17.7068","0.001","90","","90","","90","","3705.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H49 N3 O4 -","- C43 H49 N3 O4 -","- C172 H196 N12 O16 -","4","1","","Khanvilkar, Aditya N.; Bedekar, Ashutosh V.","Synthesis and characterization of chiral aza-macrocycles and study of their enantiomer recognition ability for organo-phosphoric acid and phosphonic acid derivatives by (31)P NMR and fluorescence spectroscopy.","Organic & biomolecular chemistry","2016","14","9","2742","2748","10.1039/c5ob02616d","","","0.71073","MoKα","","0.0884","0.0516","","","0.0835","0.0956","","","","","","0.928","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154947","12.8516","0.0002","13.959","0.0003","21.1978","0.0004","90","","90","","90","","3802.79","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H49 N3 O4 -","- C43 H49 N3 O4 -","- C172 H196 N12 O16 -","4","1","","Khanvilkar, Aditya N.; Bedekar, Ashutosh V.","Synthesis and characterization of chiral aza-macrocycles and study of their enantiomer recognition ability for organo-phosphoric acid and phosphonic acid derivatives by (31)P NMR and fluorescence spectroscopy.","Organic & biomolecular chemistry","2016","14","9","2742","2748","10.1039/c5ob02616d","","","1.54184","CuKα","","0.0512","0.0458","","","0.1161","0.1215","","","","","","1.0492","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154948","7.6727","0.0002","8.5813","0.0003","14.3778","0.0006","82.996","0.001","79.762","0.001","67.718","0.002","860.48","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C38 H34 N2 O8 S2 -","2","1","","Ulbrich, Dirk; Daniliuc, Constantin G.; Haufe, Günter","Synthesis of α,ω-polyfluorinated α-amino acid derivatives and δ,δ-difluoronorvaline.","Organic & biomolecular chemistry","2016","14","9","2755","2767","10.1039/c6ob00131a","","","0.71073","MoKα","","0.0588","0.0491","","","0.1013","0.1078","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154949","13.663","0.0001","7.8244","0.0001","13.7079","0.0001","90","","109.783","0.001","90","","1378.95","0.02","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F3 N O4 -","- C14 H12 F3 N O4 -","- C56 H48 F12 N4 O16 -","4","1","","Ulbrich, Dirk; Daniliuc, Constantin G.; Haufe, Günter","Synthesis of α,ω-polyfluorinated α-amino acid derivatives and δ,δ-difluoronorvaline.","Organic & biomolecular chemistry","2016","14","9","2755","2767","10.1039/c6ob00131a","","","1.54178","CuKα","","0.0519","0.049","","","0.1358","0.1391","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154950","5.4884","0.0005","11.4294","0.0009","19.5736","0.0016","90","","90","","90","","1227.83","0.18","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0456","0.0391","","","0.0871","0.0906","","","","","","1.007","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154951","7.292","0.002","11.75","0.003","14.698","0.004","90","","90","","90","","1259.3","0.6","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0795","0.0608","","","0.1452","0.1569","","","","","","0.982","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154952","8.108","0.003","11.284","0.004","24.513","0.008","90","","90","","90","","2242.7","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C96 H96 O24 S8 -","8","2","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0887","0.0493","","","0.1029","0.1196","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154953","13.1233","0.0004","14.4337","0.0006","14.5971","0.0005","114.179","0.004","93.853","0.003","114.821","0.004","2191.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C37 H37 F6 N9 O8 S4 Zn -","- C37 H37 F6 N9 O8 S4 Zn -","- C74 H74 F12 N18 O16 S8 Zn2 -","2","1","","Tang, Juan; Xie, Da; Yin, Hao-Yan; Jing, Jing; Zhang, Jun-Long","Cationic sulfonium functionalization renders Znsalens with high fluorescence, good water solubility and tunable cell-permeability.","Organic & biomolecular chemistry","2016","14","13","3360","3368","10.1039/c6ob00249h","","","1.54184","CuKα","","0.0658","0.0613","","","0.1583","0.1629","","","","","","1.034","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7154954","12.586","0.006","13.271","0.007","13.663","0.006","115.299","0.007","95.881","0.004","111.985","0.002","1817","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Perenosin","","","- C16 H17 Cl4 N3 -","- C16 H17 Cl4 N3 -","- C64 H68 Cl16 N12 -","4","2","","Van Rossom, Wim; Asby, Daniel J.; Tavassoli, Ali; Gale, Philip A.","Perenosins: a new class of anion transporter with anti-cancer activity.","Organic & biomolecular chemistry","2016","14","9","2645","2650","10.1039/c6ob00002a","","x-ray","0.71073","MoKα","","0.1176","0.0794","","","0.1633","0.1864","","","","","","1.093","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154955","5.7205","0.0015","7.824","0.002","9.811","0.003","72.891","0.004","85.142","0.004","74.695","0.004","404.78","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C16 H14 N6 O4 -","2","1","","Patel, Shyam Sunder; Chandna, Nisha; Kumar, Shreemoyee; Jain, Nidhi","I2 mediated synthesis of 5-substituted-3-methyl/benzyl-1,3,4-oxadiazol-2(3H)-ones via sequential condensation/oxidative cyclization and rearrangement.","Organic & biomolecular chemistry","2016","14","24","5683","5689","10.1039/c5ob02667a","","","0.71073","MoKα","","0.0745","0.0567","","","0.1481","0.1581","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154956","14.9522","0.0006","14.9522","0.0006","39.844","0.003","90","","90","","90","","8907.9","0.8","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C27 H23 N3 O3 -","- C27 H23 N3 O3 -","- C432 H368 N48 O48 -","16","1","","Feng, Bin-Bin; Lu, Lian; Li, Chao; Wang, Xiang-Shan","Iodine-catalyzed synthesis of dibenzo[b,h][1,6]naphthyridine-11-carboxamides via a domino reaction involving double elimination of hydrogen bromide.","Organic & biomolecular chemistry","2016","14","9","2774","2779","10.1039/c5ob02620b","","","0.71073","MoKα","","0.0577","0.0404","","","0.1191","0.1438","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154957","31.53","0.03","4.779","0.005","12.837","0.011","90","","100.97","0.04","90","","1899","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","JF95","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Ferreira, Juliana; Duarte, Vera C. M.; Noro, Jennifer; Gil Fortes, António; Alves, Maria J.","Total facial selectivity of a d-erythrosyl aromatic imine in [4π + 2π] cycloadditions; synthesis of 2-alkylpolyol 1,2,3,4-tetrahydroquinolines.","Organic & biomolecular chemistry","2016","14","10","2930","2937","10.1039/c5ob02594j","","x-ray","0.71073","MoKα","","0.1306","0.0801","","","0.1848","0.2182","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154958","11.3159","0.0016","11.3266","0.0014","12.5248","0.0016","94.687","0.004","112.587","0.004","117.05","0.004","1254.2","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N2 O2 S -","- C28 H32 N2 O2 S -","- C56 H64 N4 O4 S2 -","2","1","","Yang, Li-Fang; Liu, Cheng-Guo; Xu, Xiao-Ping; Ji, Shun-Jun","Sulfuration of the C(sp(2))-H bond of enaminones: a protocol for the synthesis of thioether using elemental sulfur as a sulfurating reagent.","Organic & biomolecular chemistry","2016","14","10","2993","2999","10.1039/c5ob02619a","","","0.71073","Mokα","","0.0998","0.0932","","","0.2845","0.2879","","","","","","1.115","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154959","7.7056","0.0004","10.9002","0.0004","11.0359","0.0004","65.488","0.003","72.568","0.003","72.725","0.003","788.58","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-(3,4,5-trimethoxyphenyl)-2-(3,5-dimethylpyrazol-4-yl)ethanol","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C32 H42 N2 O10 -","2","1","","Chagarovskiy, Alexey O.; Budynina, Ekaterina M.; Ivanova, Olga A.; Rybakov, Victor B.; Trushkov, Igor V.; Melnikov, Mikhail Ya","Simple assembly of polysubstituted pyrazoles and isoxazoles via ring closure-ring opening domino reaction of 3-acyl-4,5-dihydrofurans with hydrazines and hydroxylamine.","Organic & biomolecular chemistry","2016","14","10","2905","2915","10.1039/c5ob02596f","","","1.54186","CuKα","","0.0589","0.0526","","","0.1207","0.1249","","","","","","0.96","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154960","14.7796","0.0008","31.6279","0.0017","11.1541","0.0005","90","","91.878","0.003","90","","5211.2","0.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.95 H54.95 Cl5.85 Cu N6 -","- C56 H54 Cl3 Cu N6 -","- C224 H216 Cl12 Cu4 N24 -","4","1","","Berionni Berna, Beatrice; Nardis, Sara; Mandoj, Federica; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Extending the corrole ring conjugation: preparation of β,β'-fused 2,3-[1',2'-b]pyrazinocorroles.","Organic & biomolecular chemistry","2016","14","10","2891","2897","10.1039/c5ob02572a","","","1.54184","CuKα","","0.1215","0.0948","","","0.2453","0.2624","","","","","","1.025","","","","has coordinates,has disorder","177912","2020-10-21","18:00:00",""
"7154961","21.9885","0.0017","23.74","0.002","23.7797","0.0018","105.241","0.005","95.294","0.005","106.089","0.005","11323.5","1.6","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C61.5 H59.5 Cl1.5 Cu N8 -","- C61.5 H59.5 Cl1.5 Cu N8 -","- C492 H476 Cl12 Cu8 N64 -","8","4","","Berionni Berna, Beatrice; Nardis, Sara; Mandoj, Federica; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Extending the corrole ring conjugation: preparation of β,β'-fused 2,3-[1',2'-b]pyrazinocorroles.","Organic & biomolecular chemistry","2016","14","10","2891","2897","10.1039/c5ob02572a","","","1.54184","CuKα","","0.1604","0.1213","","","0.3105","0.3412","","","","","","1.016","","","","has coordinates,has disorder","177912","2020-10-21","18:00:00",""
"7154962","12.7135","0.0005","15.8594","0.0006","15.8605","0.0006","115.779","0.002","95.558","0.002","104.159","0.002","2715.49","0.19","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C65.39 H59.56 Cl3 Cu N6 O1.39 -","- C64 H54 Cl3 Cu N6 -","- C128 H108 Cl6 Cu2 N12 -","2","1","","Berionni Berna, Beatrice; Nardis, Sara; Mandoj, Federica; Fronczek, Frank R.; Smith, Kevin M.; Paolesse, Roberto","Extending the corrole ring conjugation: preparation of β,β'-fused 2,3-[1',2'-b]pyrazinocorroles.","Organic & biomolecular chemistry","2016","14","10","2891","2897","10.1039/c5ob02572a","","","0.71073","MoKα","","0.0823","0.0577","","","0.157","0.1682","","","","","","1.083","","","","has coordinates,has disorder","177912","2020-10-21","18:00:00",""
"7154963","15.37545","0.00018","14.15367","0.00014","19.476","0.0002","90","","91.4952","0.001","90","","4236.91","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H26 Br4 Cl8 N2 Sb -","- C37 H26 Br4 Cl8 N2 Sb -","- C148 H104 Br16 Cl32 N8 Sb4 -","4","1","","Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra","A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.","Organic & biomolecular chemistry","2016","14","10","2961","2968","10.1039/c6ob00140h","","x-ray","1.54184","CuKα","","0.031","0.0266","","","0.0628","0.0659","","","","","","1.023","","","","has coordinates","177913","2020-10-21","18:00:00",""
"7154964","10.1188","0.0002","13.8839","0.0003","16.4081","0.0005","107.983","0.002","106.75","0.002","96.924","0.002","2043.2","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H22 Br6 N2 -","- C36 H22 Br6 N2 -","- C72 H44 Br12 N4 -","2","1","","Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra","A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.","Organic & biomolecular chemistry","2016","14","10","2961","2968","10.1039/c6ob00140h","","x-ray","1.54184","CuKα","","0.0371","0.0334","","","0.0931","0.0955","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154965","15.3203","0.0002","15.5925","0.0002","19.8315","0.0003","87.2838","0.0012","81.2554","0.0013","82.7604","0.0012","4643.06","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H24 Br4 N2 -","- C36 H24 Br4 N2 -","- C216 H144 Br24 N12 -","6","3","","Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra","A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue.","Organic & biomolecular chemistry","2016","14","10","2961","2968","10.1039/c6ob00140h","","x-ray","1.54184","CuKα","","0.0425","0.0369","","","0.0957","0.1009","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154966","19.3483","0.0006","19.3483","0.0006","6.2252","0.0003","90","","90","","120","","2018.22","0.13","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C35 H23 N -","- C35.04 H23.04 N0.96 -","- C105.12 H69.12 N2.88 -","3","0.166667","","Van Raden, J. M.; Darzi, E. R.; Zakharov, L. N.; Jasti, R.","Synthesis and characterization of a highly strained donor-acceptor nanohoop.","Organic & biomolecular chemistry","2016","14","24","5721","5727","10.1039/c6ob00133e","","","1.54178","CuKα","","0.0562","0.0422","","","0.0967","0.1013","","","","","","1.075","","","","has coordinates","183765","2020-10-21","18:00:00",""
"7154967","8.1218","0.0009","11.2172","0.0012","11.2671","0.0012","79.387","0.001","79.478","0.001","84.213","0.001","989.55","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H48 F12 N4 O6 P2 -","- C34 H48 F12 N4 O6 P2 -","- C34 H48 F12 N4 O6 P2 -","1","0.5","","Olson, M. A.; Messina, M. S.; Thompson, J. R.; Dawson, T. J.; Goldner, A. N.; Gaspar, D. K.; Vazquez, M.; Lehrman, J. A.; Sue, A. C.-H.","Reversible morphological changes of assembled supramolecular amphiphiles triggered by pH-modulated host-guest interactions.","Organic & biomolecular chemistry","2016","14","24","5714","5720","10.1039/c6ob00109b","","","0.71073","MoKα","","0.0618","0.0547","","","0.1418","0.1489","","","","","","1.028","","","","has coordinates,has disorder","183764","2020-10-21","18:00:00",""
"7154968","9.7463","0.0005","11.9704","0.0005","24.3772","0.0013","90","","90","","90","","2844","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 F N2 O5 -","- C29 H35 F N2 O5 -","- C116 H140 F4 N8 O20 -","4","1","","Marques, A.-S.; Giardinetti, M.; Marrot, J.; Coeffard, V.; Moreau, X.; Greck, C.","Construction of enantioenriched polysubstituted hexahydropyridazines via a sequential multicatalytic process merging palladium catalysis and aminocatalysis.","Organic & biomolecular chemistry","2016","14","10","2828","2832","10.1039/c5ob02437d","","","0.71073","MoKα","","0.0534","0.041","","","0.1127","0.1272","","","","","","1.162","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154969","9.0241","0.0004","9.7102","0.0004","12.2998","0.0005","84.499","0.002","84.789","0.002","74.1251","0.0016","1029.55","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Iminoquinone","","- C26 H18 N2 O3 -","- C26 H18 N2 O3 -","- C52 H36 N4 O6 -","2","1","","Chandrasekar, Selvaraj; Sekar, Govidasamy","An efficient synthesis of iminoquinones by a chemoselective domino ortho-hydroxylation/oxidation/imidation sequence of 2-aminoaryl ketones.","Organic & biomolecular chemistry","2016","14","11","3053","3060","10.1039/c5ob02659h","","","0.71073","MoKα","","0.0807","0.0434","","","0.1015","0.1219","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154970","7.9893","0.0003","8.2086","0.0003","11.504","0.0004","106.669","0.0018","104.715","0.0017","96.4618","0.0019","684.9","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","","Chandrasekar, Selvaraj; Sekar, Govidasamy","An efficient synthesis of iminoquinones by a chemoselective domino ortho-hydroxylation/oxidation/imidation sequence of 2-aminoaryl ketones.","Organic & biomolecular chemistry","2016","14","11","3053","3060","10.1039/c5ob02659h","","","0.71073","MoKα","","0.0487","0.0384","","","0.0956","0.1038","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154971","8.0468","0.0007","12.1197","0.001","7.5388","0.0007","90","","91.03","","90","","735.1","0.11","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H10 Br2 N2 O -","- C16 H10 Br2 N2 O -","- C32 H20 Br4 N4 O2 -","2","1","","Xu, Jun; Zhu, Xiaolei; Zhou, Guobin; Ying, Beibei; Ye, Pingping; Su, Lingying; Shen, Chao; Zhang, Pengfei","Copper(ii)-catalyzed C5 and C7 halogenation of quinolines using sodium halides under mild conditions.","Organic & biomolecular chemistry","2016","14","11","3016","3021","10.1039/c6ob00169f","","","0.71073","MoKα","","0.0607","0.0595","","","0.1538","0.1553","","","","","","1.022","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7154972","28.1542","0.0016","8.5012","0.0005","17.4613","0.001","90","","122.609","0.001","90","","3520.5","0.4","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C184 H176 O16 -","8","1","","Subba Reddy, B. V.; Hanuman Reddy, V.; Medaboina, Durgaprasad; Sridhar, B.; Rami Reddy, Y. V.","A tandem Prins spirocyclization for the stereoselective synthesis of tetrahydrospiro[chroman-2,4'-pyran] derivatives.","Organic & biomolecular chemistry","2016","14","12","3234","3237","10.1039/c5ob02639c","","","0.71073","MoKα","","0.0577","0.0471","","","0.1251","0.1348","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154973","8.3369","0.0004","20.8048","0.001","8.5721","0.0004","90","","112.222","0.003","90","","1376.38","0.12","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H30 Br2 N2 O5 Pd S -","- C27 H30 Br2 N2 O5 Pd S -","- C54 H60 Br4 N4 O10 Pd2 S2 -","2","1","","Yasomanee, Jagodige P.; Parameswar, Archana R.; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.","2,3-Di-O-picolinyl building blocks as glycosyl donors with switchable stereoselectivity.","Organic & biomolecular chemistry","2016","14","11","3159","3169","10.1039/c6ob00107f","","","0.71073","MoKα","","0.0308","0.0262","","","0.0574","0.0592","","","","","","1.025","","","","has coordinates,has disorder","181790","2020-10-21","18:00:00",""
"7154974","18.5248","0.0015","15.2275","0.0012","18.9615","0.0016","90","","94.102","0.004","90","","5335.1","0.8","123","","123","","","","","","","","Pascal Schmidt","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 B N O3 -","- C14 H14 B N O3 -","- C224 H224 B16 N16 O48 -","16","2","","Stress, Cedric J.; Schmidt, Pascal J.; Gillingham, Dennis G.","Comparison of boron-assisted oxime and hydrazone formations leads to the discovery of a fluorogenic variant.","Organic & biomolecular chemistry","2016","14","24","5529","5533","10.1039/c6ob00168h","","","1.54178","CuKα","","0.0402","0.0386","","0.0884","0.088","0.0884","","","","","","0.8971","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154975","9.71","0.003","19.2","0.005","22.065","0.006","90","","97.104","0.004","90","","4082","2","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-2,3-diphenyl-N-tosylbut-2-enamide","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C184 H168 N8 O24 S8 -","8","2","","Hu, Yuanyuan; Zhou, Bingwei; Wang, Congyang","Copper-catalyzed three-component cascade reaction of alkynes, sulfonyl azides and simple aldehydes/ketones.","Organic & biomolecular chemistry","2016","14","11","3022","3026","10.1039/c6ob00146g","","","0.71073","MoKα","","0.1116","0.087","","","0.1337","0.1429","","","","","","1.197","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154976","9.3077","0.0019","11.58","0.002","11.683","0.002","116.41","0.03","100.5","0.03","90.85","0.03","1102.3","0.5","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","(E)-2-(naphthalen-2-yl)-N-tosylhept-2-enamide","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C48 H50 N2 O6 S2 -","2","1","","Hu, Yuanyuan; Zhou, Bingwei; Wang, Congyang","Copper-catalyzed three-component cascade reaction of alkynes, sulfonyl azides and simple aldehydes/ketones.","Organic & biomolecular chemistry","2016","14","11","3022","3026","10.1039/c6ob00146g","","","0.71073","MoKα","","0.0809","0.0627","","","0.1408","0.152","","","","","","1.129","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154977","9.5857","0.0004","10.48","0.0005","16.9107","0.0008","90","","100.401","0.0012","90","","1670.9","0.13","100","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2R,3R)-dimethyl 2-cyano-3-phenyl-2-(pyridin-4-yl)cyclopropane-1,1-dicarboxylate","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Del Fiandra, Claudia; Moccia, Maria; Adamo, Mauro F. A.","Enantioselective cyclopropanation of (Z)-3-substituted-2-(4-pyridyl)-acrylonitriles catalyzed by Cinchona ammonium salts.","Organic & biomolecular chemistry","2016","14","11","3105","3111","10.1039/c6ob00154h","","","0.71073","MoKα","","0.0365","0.0327","","","0.092","0.0961","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154978","14.19","0.03","16.5","0.03","7.736","0.015","90","","101.18","0.03","90","","1777","6","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-(2-hydroxy-2-phenylcyclohexyloxy)isoindoline-1,3-dione","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam","Iron(iii)-catalyzed aerobic dioxygenation of styrenes using N-hydroxyphthalimide and N-hydroxybenzotriazole.","Organic & biomolecular chemistry","2016","14","12","3246","3255","10.1039/c6ob00210b","","","0.71073","MoKα","","0.0642","0.0449","","","0.1044","0.1269","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154979","9.0807","0.0003","9.0807","0.0003","33.7042","0.0011","90","","90","","120","","2406.87","0.14","100","2","100","2","","","","","","","","4","P 61","P 61","169","","3 R ,4 R )-Methyl 1-oxo-3-phenyl-3-(trifluoromethyl)isochrom an-4-carboxylate","","- C18 H13 F3 O4 -","- C18 H13 F3 O4 -","- C108 H78 F18 O24 -","6","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.0228","0.0228","","","0.0674","0.0674","","","","","","1.463","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154980","8.5357","0.0003","12.3308","0.0004","14.9954","0.0005","90","","90","","90","","1578.3","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3 S ,4 R )-3-(Ethoxycarbonyl)-1-oxo-3-(thiophen-2-yl)isochro mane-4-carboxylic acid","","- C17 H14 O6 S -","- C17 H14 O6 S -","- C68 H56 O24 S4 -","4","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.056","0.055","","","0.1582","0.1591","","","","","","1.12","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154981","8.2334","0.0004","12.873","0.0006","11.1784","0.0005","90","","107.114","0.002","90","","1132.32","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2 R ,3 S )-Methyl 1'-benzyl-3-(4-nitrophenyl)-2',5-dioxo-4,5 -dihydro-3H-spiro[furan-2,3'- indoline]-3-carboxylate","","- C26 H20 N2 O7 -","- C26 H20 N2 O7 -","- C52 H40 N4 O14 -","2","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.0544","0.0376","","","0.0644","0.0653","","","","","","1.899","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154982","11.1283","0.0003","29.5193","0.0007","7.79325","0.00019","90","","108.307","0.0017","90","","2430.51","0.11","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rocaglamide 23c","","- C25 H21 Br O8 S -","- C25 H21 Br O8 S -","- C100 H84 Br4 O32 S4 -","4","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54187","CuKα","","","0.121","","","","0.3993","","","","","","1.014","","","","has coordinates","181793","2020-10-21","18:00:00",""
"7154983","9.8131","0.0003","20.4457","0.0005","21.4","0.0006","90","","90","","90","","4293.6","0.2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","rocaglamide 22a","","- C25 H24 O7 S -","- C25 H24 O7 S -","- C200 H192 O56 S8 -","8","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54178","CuKα","","0.0404","0.0374","","","0.0999","0.103","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154984","9.7833","0.0003","10.5843","0.0004","14.6153","0.0005","74.063","0.002","80.51","0.002","63.2837","0.0018","1298.37","0.08","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Br Cl3 O8 -","- C25 H22 Br Cl3 O8 -","- C50 H44 Br2 Cl6 O16 -","2","1","","Arai, Midori A.; Kofuji, Yuuki; Tanaka, Yuuki; Yanase, Natsuki; Yamaku, Kazuki; Fuentes, Rolly G.; Karmakar, Utpal Kumar; Ishibashi, Masami","Synthesis of rocaglamide derivatives and evaluation of their Wnt signal inhibitory activities.","Organic & biomolecular chemistry","2016","14","11","3061","3068","10.1039/c5ob02537k","","","1.54187","CuKα","","","0.0547","","","","0.149","","","","","","1.137","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154985","5.9219","0.0003","7.4968","0.0003","31.318","0.0019","94.271","0.004","91.188","0.004","90.053","0.003","1386.21","0.12","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 B N -","- C19 H16 B N -","- C76 H64 B4 N4 -","4","2","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0917","0.0729","","","0.2349","0.2466","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154986","7.5827","0.0003","5.8864","0.0003","14.3622","0.0007","90","","93.408","0.004","90","","639.92","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 B N -","- C18 H14 B N -","- C36 H28 B2 N2 -","2","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0355","0.0343","","","0.0941","0.0957","","","","","","1.045","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7154987","7.5086","0.0003","5.9024","0.0003","29.5225","0.0017","90","","93.266","0.005","90","","1306.28","0.11","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 B F N -","- C18 H13 B F N -","- C72 H52 B4 F4 N4 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0553","0.0503","","","0.1386","0.1428","","","","","","1.056","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7154988","7.54619","0.00013","5.86945","0.00011","32.5219","0.0005","90","","94.2129","0.0015","90","","1436.57","0.04","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F3 N -","- C19 H13 B F3 N -","- C76 H52 B4 F12 N4 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0428","0.0388","","","0.1053","0.1089","","","","","","1.056","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7154989","7.44538","0.00009","7.11221","0.00008","15.95865","0.00019","90","","94.8062","0.0011","90","","842.089","0.017","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 B N -","- C21 H20 B N -","- C42 H40 B2 N2 -","2","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0303","0.0296","","","0.0805","0.0811","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154990","7.5423","0.0002","5.9013","0.0002","28.5913","0.0009","90","","94.099","0.003","90","","1269.33","0.07","110","2","110","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0653","0.0616","","","0.1499","0.1518","","","","","","1.16","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7154991","10.2816","0.0003","10.436","0.0003","15.0467","0.0005","90","","90","","90","","1614.49","0.09","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-((4-Hydroxyphenyl)(thiophen-3-yl)methyl)naphthalen-2-ol","","- C21 H16 O2 S -","- C21 H16 O2 S -","- C84 H64 O8 S4 -","4","1","","Wong, Yuk Fai; Wang, Zhaobin; Sun, Jianwei","Chiral phosphoric acid catalyzed asymmetric addition of naphthols to para-quinone methides.","Organic & biomolecular chemistry","2016","14","24","5751","5754","10.1039/c6ob00125d","","x-ray","1.54184","CuKα","","0.0585","0.057","","","0.1486","0.1503","","","","","","1","","","","has coordinates,has disorder","183758","2020-10-21","18:00:00",""
"7154992","12.2059","0.0008","9.9555","0.0006","16.3557","0.0011","90","","95.472","0.002","90","","1978.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","WYC011632","","- C21 H18 Br F3 O4 -","- C21 H18 Br F3 O4 -","- C84 H72 Br4 F12 O16 -","4","1","","Wong, Ying-Chieh; Yeung, Ying-Yeung","A convenient method for the synthesis of α-carboxylate ester bromolactones via bromolactonization of alkenoic diesters.","Organic & biomolecular chemistry","2016","14","12","3202","3206","10.1039/c6ob00311g","","","0.71073","MoKα","","0.0313","0.0282","","","0.0716","0.0735","","","","","","1.034","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7154993","7.5445","0.0007","14.1434","0.0015","14.8389","0.0015","90","","100.417","0.004","90","","1557.3","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","amit","","- C15 H15 I N4 -","- C15 H15 I N4 -","- C60 H60 I4 N16 -","4","1","","Pawar, Amit B.; Lade, Dhanaji M.","Cobalt(iii)-catalyzed C-H halogenation of 6-arylpurines: facile entry into arylated, sulfenylated and alkoxylated 6-arylpurines.","Organic & biomolecular chemistry","2016","14","12","3275","3283","10.1039/c5ob02640g","","x-ray","0.71073","MoKα","","0.0384","0.0354","","","0.0926","0.0943","","","","","","1.065","","","","has coordinates","181785","2020-10-21","18:00:00",""
"7154994","11.7084","0.0004","14.1127","0.0006","15.5928","0.0006","90.096","0.003","95.408","0.003","91.971","0.003","2563.49","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3aS*,5R*,5aR*,8R*,8aR*,8bR*)-5,5a-dihydroxy-2,5-diphenyl-3a,4,5,5a,6,7,8a,8b-octahydro-8-(2',2',2'-trichloromethylcarbonylamino)cyclopent[e]isoindole-1,3(2H,3aH)-dione","","- C26 H27 Cl3 N2 O6 -","- C26 H27 Cl3 N2 O6 -","- C104 H108 Cl12 N8 O24 -","4","2","","Mostafa, Mohamed A. B.; Grafton, Mark W.; Wilson, Claire; Sutherland, Andrew","A one-pot, three-step process for the diastereoselective synthesis of aminobicyclo[4.3.0]nonanes using consecutive palladium(ii)- and ruthenium(ii)-catalysis.","Organic & biomolecular chemistry","2016","14","12","3284","3297","10.1039/c6ob00165c","","x-ray","0.71073","MoKα","","0.0864","0.0539","","","0.1208","0.1355","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154995","8.2474","0.0005","11.1326","0.0007","18.0136","0.0011","90","","90","","90","","1653.92","0.18","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C72 H68 N4 O20 S4 -","4","1","","Luridiana, Alberto; Frongia, Angelo; Aitken, David J.; Guillot, Regis; Sarais, Giorgia; Secci, Francesco","Deracemizing organocatalyzed Michael addition reactions of 2-(arylthio)cyclobutanones with β-nitrostyrenes.","Organic & biomolecular chemistry","2016","14","13","3394","3403","10.1039/c6ob00160b","","x-ray","0.71073","MoKα","","0.0328","0.029","","","0.0776","0.0797","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154996","12.3871","0.0001","10.734","0.0001","12.8666","0.0001","90","","103.68","","90","","1662.25","0.02","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","2","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0375","0.0368","","","0.0991","0.1004","","","","","","0.947","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154997","9.7007","0.0002","6.2228","0.0001","13.9225","0.0003","90","","101.87","0.001","90","","822.47","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0851","0.0836","","","0.2171","0.219","","","","","","1.104","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154998","11.9342","0.0011","12.3874","0.0011","13.3401","0.0013","106.111","0.005","92.693","0.005","95.261","0.006","1881.3","0.3","130","","130","","","","","","","","","3","P 1","P 1","1","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","4","","Zhao, Sen-Miao; Chou, Gui-Xin; Yang, Qing-Shan; Wang, Wei; Zhou, Jian-Li","Abietane diterpenoids from Caryopteris incana (Thunb.) Miq.","Organic & biomolecular chemistry","2016","14","14","3510","3520","10.1039/c6ob00139d","","","1.54178","CuKα","","0.0838","0.0662","","","0.177","0.203","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7154999","8.6713","0.0017","9.4094","0.0019","11.261","0.002","104.56","0.03","93.63","0.03","110.49","0.03","821.4","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O3 S2 -","- C16 H15 N O3 S2 -","- C32 H30 N2 O6 S4 -","2","1","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","0.71073","MoKα","","0.0877","0.066","","","0.1813","0.2005","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155000","14.818","0.003","10.636","0.002","15.416","0.003","90","","113.84","0.03","90","","2222.3","0.9","153","2","153","2","","","","","","","","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","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","0.71073","MoKα","","0.1252","0.0765","","","0.175","0.2036","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155001","13.9018","0.0004","17.531","0.0004","9.7328","0.0002","90","","90","","90","","2372","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H25 N O3 S -","- C30 H25 N O3 S -","- C120 H100 N4 O12 S4 -","4","1","","Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang","Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.","Organic & biomolecular chemistry","2016","14","16","3878","3882","10.1039/c6ob00377j","","","1.54184","CuKα","","0.0343","0.0307","","","0.0766","0.0797","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155002","9.3775","0.0007","11.0241","0.0008","9.5231","0.0006","90","","110.422","0.004","90","","922.61","0.11","","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","pyrido[1,2,a]indole","(4-fluorophenyl)(10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl)methanone","","- C25 H15 F2 N O -","- C25 H15 F2 N O -","- C50 H30 F4 N2 O2 -","2","1","","Dawande, Sudam Ganpat; Lad, Bapurao Sudam; Prajapati, Sunitkumar; Katukojvala, Sreenivas","Rhodium-catalyzed pyridannulation of indoles with diazoenals: a direct approach to pyrido[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5569","5573","10.1039/c6ob00360e","","","0.71073","MoKα","","0.0639","0.0603","","","0.1746","0.1797","","","","","","1.1402","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7155003","10.1488","0.0005","17.0478","0.0004","12.052","0.0004","90","","113.032","0.005","90","","1918.96","0.14","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Bromo-9,10-dimethyl-6,17c-dihydro-5H-indazolo[2,3-a]isoquinolino[1,2-c]quinoxaline","","- C24 H20 Br N3 -","- C24 H20 Br N3 -","- C96 H80 Br4 N12 -","4","1","","Shinde, Anand H.; Vidyacharan, Shinde; Sharada, Duddu S.","BF3·OEt2 mediated metal-free one-pot sequential multiple annulation cascade (SMAC) synthesis of complex and diverse tetrahydroisoquinoline fused hybrid molecules.","Organic & biomolecular chemistry","2016","14","12","3207","3211","10.1039/c6ob00253f","","","1.5418","CuKα","","0.066179","0.05177","","","","0.15219","","","","","","1.04853","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155004","12.282","0.003","8.937","0.0018","22.179","0.004","90","","92.6","0.03","90","","2432","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N O4 P -","- C28 H26 N O4 P -","- C112 H104 N4 O16 P4 -","4","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.0712","0.0573","","","0.1269","0.1337","","","","","","1.156","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155005","10.479","0.0009","10.8907","0.0009","12.8985","0.0009","68.115","0.007","68.507","0.007","89.099","0.007","1258.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 N O4 P -","- C29 H28 N O4 P -","- C58 H56 N2 O8 P2 -","2","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","1.54184","CuKα","","0.054","0.0463","","","0.1279","0.1358","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155006","17.859","0.0016","5.8124","0.0004","21.742","0.002","90","","106.101","0.01","90","","2168.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.054","0.0409","","","0.1042","0.1139","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155007","17.482","0.004","5.9043","0.0013","23.251","0.005","90","","100.505","0.003","90","","2359.7","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C120 H80 Cl8 N8 O8 -","8","1","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.0551","0.0479","","","0.1212","0.1272","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155008","9.6939","0.0019","21.405","0.004","27.668","0.006","90","","80.83","0.03","90","","5668","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 Cl N O2 P -","- C35 H25 Cl N O2 P -","- C280 H200 Cl8 N8 O16 P8 -","8","2","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.1643","0.1094","","","0.2299","0.2583","","","","","","1.117","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155009","10.626","0.002","11.358","0.002","21.635","0.004","104.76","0.03","91.46","0.03","90.01","0.03","2524.1","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl N O3 S -","- C30 H22 Cl N O3 S -","- C120 H88 Cl4 N4 O12 S4 -","4","2","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.0877","0.0836","","","0.2468","0.2541","","","","","","1.108","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155010","34.28","0.003","17.6184","0.0013","25.486","0.004","90","","131.387","0.003","90","","11548","2","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 N O6 P S -","- C29 H32 N O6 P S -","- C464 H512 N16 O96 P16 S16 -","16","2","","Anitha, Mandala; Gangadhararao, G.; Kumara Swamy, K. C.","Base catalysed intermolecular cyclisation of N-protected o-amino benzaldehyde/acetophenone with phosphorus/sulphur based allenes: facile synthesis of substituted quinolines.","Organic & biomolecular chemistry","2016","14","14","3591","3602","10.1039/c6ob00259e","","","0.71073","MoKα","","0.1113","0.0616","","","0.1583","0.1801","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155011","10.1831","0.0002","17.6304","0.0004","18.6382","0.0005","90","","92.2453","0.0011","90","","3343.59","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Benzimidazoindoloindolol","","- C35 H28 Cl3 N3 O5 S2 -","- C35 H28 Cl3 N3 O5 S2 -","- C140 H112 Cl12 N12 O20 S8 -","4","1","","Badigenchala, Sindhura; Rajeshkumar, Venkatachalam; Sekar, Govindasamy","Iodine mediated intramolecular C2-amidative cyclization of indoles: a facile access to indole fused tetracycles.","Organic & biomolecular chemistry","2016","14","7","2297","2305","10.1039/c5ob02449h","","","0.71073","MoKα","","0.0715","0.0495","","","0.133","0.1514","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155012","4.6985","0.0007","9.6719","0.0014","9.8461","0.0014","111.248","0.002","92.409","0.002","91.899","0.002","416.09","0.1","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C9 H5 Cl N2 O2 -","- C9 H5 Cl N2 O2 -","- C18 H10 Cl2 N4 O4 -","2","1","","Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe","Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation.","Organic & biomolecular chemistry","2016","14","13","3459","3468","10.1039/c6ob00227g","","x-ray","0.71073","MoKα","","0.0387","0.0346","","","0.0888","0.0915","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155013","6.6155","0.0011","7.022","0.0012","9.6435","0.0017","82.132","0.003","76.879","0.003","71.863","0.003","413.54","0.12","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C9 H5 Cl N2 O2 -","- C9 H5 Cl N2 O2 -","- C18 H10 Cl2 N4 O4 -","2","1","","Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe","Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation.","Organic & biomolecular chemistry","2016","14","13","3459","3468","10.1039/c6ob00227g","","x-ray","0.71073","MoKα","","0.059","0.0488","","","0.1415","0.1483","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155014","8.1761","0.0005","11.9692","0.0007","15.1398","0.0009","90","","96.343","0.001","90","","1472.53","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F O4 -","- C18 H13 F O4 -","- C72 H52 F4 O16 -","4","1","","Mangina, N. S. V. M. Rao; Suresh, Surisetti; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold(iii)-catalyzed synthesis of aroylbenzo[b]oxepin-3-ones from ortho-O-propargyl-1-one substituted arylaldehydes.","Organic & biomolecular chemistry","2016","14","14","3526","3535","10.1039/c5ob02676h","","","0.71073","MoKα","","0.06","0.0527","","","0.1496","0.1574","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155015","10.2113","0.0008","10.8594","0.0009","15.4503","0.0012","90","","102.946","0.001","90","","1669.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Rac-(2R,4R,5R)-tert-butyl 2-(4-chlorophenyl)-4-fluoro-5-hydroxypiperidine-1-carboxylate","","- C16 H21 Cl F N O3 -","- C16 H21 Cl F N O3 -","- C64 H84 Cl4 F4 N4 O12 -","4","1","","Yan, Nan; Fang, Zheng; Liu, Qing-Quan; Guo, Xiao-Hong; Hu, Xiang-Guo","Conformation-induced regioselective and divergent opening of epoxides by fluoride: facile access to hydroxylated fluoro-piperidines.","Organic & biomolecular chemistry","2016","14","13","3469","3475","10.1039/c6ob00063k","","","0.71073","MoKα","","0.0546","0.0437","","","0.1186","0.1307","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155016","10.0718","0.0018","10.9443","0.0019","15.782","0.003","90","","102.965","0.002","90","","1695.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rac-(2R,4R,5R)-tert-butyl 4-fluoro-5-hydroxy-2-(p-tolyl)piperidine-1-carboxylate","","- C17 H24 F N O3 -","- C17 H24 F N O3 -","- C68 H96 F4 N4 O12 -","4","1","","Yan, Nan; Fang, Zheng; Liu, Qing-Quan; Guo, Xiao-Hong; Hu, Xiang-Guo","Conformation-induced regioselective and divergent opening of epoxides by fluoride: facile access to hydroxylated fluoro-piperidines.","Organic & biomolecular chemistry","2016","14","13","3469","3475","10.1039/c6ob00063k","","","0.71073","MoKα","","0.066","0.0456","","","0.1169","0.1301","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155017","8.7967","0.0004","9.2428","0.0004","17.2636","0.0008","90","","90","","90","","1403.64","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Z)-3-(4-fluorophenyl)-2-(hydroxyimino)-3-(trifluoromethyl)-3,5,6,7-tetrahydrobenzofuran-4(2H)-one","","- C15 H11 F4 N O3 -","- C15 H11 F4 N O3 -","- C60 H44 F16 N4 O12 -","4","1","","Liu, Wei; Lai, Xiaoyan; Zha, Gaofeng; Xu, Yan; Sun, Panpan; Xia, Tao; Shen, Yongcun","The squaramide-catalyzed asymmetric Michael/cyclization tandem reaction for the synthesis of chiral trifluoromethylated hydroxyimino tetrahydrobenzofuranones.","Organic & biomolecular chemistry","2016","14","14","3603","3607","10.1039/c6ob00119j","","","1.54178","CuKα","","0.0439","0.037","","","0.0872","0.0924","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155018","7.4773","0.001","8.2931","0.0011","20.419","0.003","90","","90","","90","","1266.2","0.3","298","2","298","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Compound 10","","- C11 H13 N5 O4 -","- C11 H13 N5 O4 -","- C44 H52 N20 O16 -","4","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","0.71073","MoKα","","0.0409","0.0376","","","0.1079","0.1122","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155019","5.9412","0.0001","5.9412","0.0001","60.104","0.0009","90","","90","","90","","2121.54","0.06","100","2","100","2","","","","","","","synthesis","5","P 43 21 2","P 4nw 2abw","96","","1R,3S-albucidin","","- C9 H3 D10 N5 O3 -","- C9 H3 D10 N5 O3 -","- C72 H24 D80 N40 O24 -","8","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","1.54178","CuKα","","0.0297","0.0297","","","0.0839","0.0839","","","","","","0.581","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155020","5.9872","0.0009","5.9872","0.0009","60.571","0.009","90","","90","","90","","2171.3","0.6","296","2","296","2","","","","","","","synthesis","5","P 41 21 2","P 4abw 2nw","92","","1S,3R-albucidin","","- C9 H11 D2 N5 O3 -","- C9 H11 D2 N5 O3 -","- C72 H88 D16 N40 O24 -","8","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","0.71073","MoKα","","0.082","0.0814","","","0.1836","0.1839","","","","","","1.194","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155021","16.925","0.0003","17.9908","0.0005","10.9836","0.0004","90","","106.315","0.003","90","","3209.77","0.17","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethyl 2,3-dicyano-1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene]-2,3-dicarboxylate","","- C17 H10 N2 O6 -","- C17 H10 N2 O6 -","- C136 H80 N16 O48 -","8","2","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","1.54186","CuKα","","0.0739","0.0568","","","0.1386","0.1465","","","","","","0.911","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155022","25.935","0.004","7.888","0.002","18.793","0.004","90","","108.37","0.03","90","","3648.7","1.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","rubidium 1,1,3,3-tetracyano-2-(2-(isopropoxycarbonyl)benzoyl)prop-2-en-1-ide","","- C36 H22 N8 O6 Rb2 -","- C36 H22 N8 O6 Rb2 -","- C144 H88 N32 O24 Rb8 -","4","1","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","0.71073","MoKα","","0.1279","0.0568","","","0.0779","0.0956","","","","","","0.923","","","","has coordinates","182784","2020-10-21","18:00:00",""
"7155023","14.498","0.005","13.886","0.004","18.696","0.004","90","","90","","90","","3763.9","1.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","potassium (Z)-2,4-dicyano-1,5-dimethoxy-3-(2-(methoxycarbonyl)benzoyl)-1,5-dioxopent-3-en-2-ide","","- C18 H13 K N2 O7 -","- C18 H13 K N2 O7 -","- C144 H104 K8 N16 O56 -","8","1","","Karpov, S. V.; Kaukov, Ya S.; Grigor'ev, A. A.; Nasakin, O. E.; Kaukova, O. V.; Tafeenko, V. A.","Synthesis of novel polycyano-containing organic ligands via double carbanion cleavage of 1',3'-dioxo-1',3'-dihydrospiro[cyclopropane-1,2'-indene] derivatives.","Organic & biomolecular chemistry","2016","14","15","3758","3764","10.1039/c6ob00092d","","","0.71073","MoKα","","0.1007","0.0552","","","0.1152","0.132","","","","","","1.039","","","","has coordinates","182784","2020-10-21","18:00:00",""
"7155024","11.4992","0.0008","13.2277","0.0006","20.0327","0.001","80.075","0.004","80.054","0.005","76.358","0.005","2889","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H48 F6 N11 O5 -","- C69 H48 F6 N11 O5 -","- C138 H96 F12 N22 O10 -","2","1","","Murray, Alexander T.; Challinor, Jonathan D.; Gulácsy, Christina E; Lujan, Cristina; Hatcher, Lauren E.; Pudney, Christopher R.; Raithby, Paul R.; John, Matthew P.; Carbery, David R.","Modelling flavoenzymatic charge transfer events: development of catalytic indole deuteration strategies.","Organic & biomolecular chemistry","2016","14","15","3787","3792","10.1039/c6ob00361c","","","0.71073","MoKα","","0.151","0.0783","","","0.1802","0.2479","","","","","","0.974","","","","has coordinates,has disorder","182778","2020-10-21","18:00:00",""
"7155025","6.6629","0.0007","25.004","0.003","14.956","0.002","90","","97.81","0.012","90","","2468.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cl F3 N5 O3 -","- C28 H23 Cl F3 N5 O3 -","- C112 H92 Cl4 F12 N20 O12 -","4","1","","Murray, Alexander T.; Challinor, Jonathan D.; Gulácsy, Christina E; Lujan, Cristina; Hatcher, Lauren E.; Pudney, Christopher R.; Raithby, Paul R.; John, Matthew P.; Carbery, David R.","Modelling flavoenzymatic charge transfer events: development of catalytic indole deuteration strategies.","Organic & biomolecular chemistry","2016","14","15","3787","3792","10.1039/c6ob00361c","","","0.71073","MoKα","","0.1083","0.0558","","","0.0889","0.0968","","","","","","0.839","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7155026","5.0171","0.0014","8.347","0.002","10.439","0.003","101.211","0.005","102.192","0.007","91.033","0.008","418.4","0.2","233","","233","","","","","","","","","6","P 1","P 1","1","","","","- C18 H15 Br F3 N O -","- C18 H15 Br F3 N O -","- C18 H15 Br F3 N O -","1","1","","Ikeda, Kazunori; Futamura, Takashi; Hanakawa, Taisyun; Minakawa, Maki; Kawatsura, Motoi","Palladium-catalyzed enantioselective allylic alkylation of trifluoromethyl group substituted racemic and acyclic unsymmetrical 1,3-disubstituted allylic esters with malonate anions.","Organic & biomolecular chemistry","2016","14","14","3501","3505","10.1039/c6ob00449k","","","0.71075","MoKα","","","0.0242","","","","0.0288","","","","","","0.818","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155027","8.4009","0.0004","10.4848","0.0004","11.8979","0.0005","94.791","0.001","103.025","0.001","108.548","0.001","954.23","0.07","298","2","298","2","","","","","","","Synthetic","4","P -1","-P 1","2","Formil isoplicamine","Formil isoplicamine","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C42 H44 N4 O10 -","2","1","","Mijangos, Marco V.; Miranda, Luis D.","Multicomponent access to indolo[3,3a-c]isoquinolin-3,6-diones: formal synthesis of (±)-plicamine.","Organic & biomolecular chemistry","2016","14","15","3677","3680","10.1039/c6ob00231e","","","0.71073","MoKα","","0.0609","0.0406","","","0.0955","0.1061","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155028","18.0189","0.0003","13.8383","0.0003","19.9173","0.0004","90","","93.1629","0.0016","90","","4958.83","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl (1-((1-(4-aminophenyl)ethoxy)(tert-butyl)amino)-2,2-dimethylpropyl)phosphonate","","- C21 H39 N2 O4 P -","- C21 H39 N2 O4 P -","- C168 H312 N16 O32 P8 -","8","2","","Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.","Organic & biomolecular chemistry","2016","14","14","3574","3583","10.1039/c6ob00384b","","x-ray","1.54184","CuKα","","0.0801","0.0641","","","0.1787","0.1972","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155029","8.62323","0.00015","9.53739","0.00016","31.7545","0.0006","90","","90.2784","0.0017","90","","2611.56","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(1-((tert-butyl(1-(diethoxyphosphoryl)-2,2-dimethylpropyl)amino)oxy)ethyl)benzoate","","- C23 H40 N O6 P -","- C23 H40 N O6 P -","- C92 H160 N4 O24 P4 -","4","1","","Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.","Organic & biomolecular chemistry","2016","14","14","3574","3583","10.1039/c6ob00384b","","x-ray","1.54184","CuKα","","0.0813","0.0533","","","0.147","0.1558","","","","","","1.14","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7155030","9.0712","0.0003","10.2972","0.0003","13.5576","0.0003","75.983","0.002","80.691","0.002","78.803","0.002","1196.5","0.06","293","","293","","","","","","","","","6","P -1","-P 1","2","","Diethyl (1-(tert-butyl(1-(4-fluorophenyl)ethoxy)amino)-2,2-dimethylpropyl)phosphonate","","- C21 H37 F N O4 P -","- C21 H37 F N O4 P -","- C42 H74 F2 N2 O8 P2 -","2","1","","Audran, Gérard; Brémond, Paul; Joly, Jean-Patrick; Marque, Sylvain R. A.; Yamasaki, Toshihide","C-ON bond homolysis in alkoxyamines. Part 12: the effect of the para-substituent in the 1-phenylethyl fragment.","Organic & biomolecular chemistry","2016","14","14","3574","3583","10.1039/c6ob00384b","","x-ray","1.54184","CuKα","","0.0586","0.0495","","","0.1482","0.1589","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155031","8.0511","0.001","13.583","0.016","9.587","0.011","90","","109.73","0.019","90","","986.9","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 N O S -","- C25 H20 N O S -","- C50 H40 N2 O2 S2 -","2","1","","Gharpure, Santosh J.; Nanda, Santosh K.","Stereoselective synthesis of thiazino[4,3-a]indoles using the thia-Pictet-Spengler reaction of indoles bearing N-tethered thiols and vinylogous thiocarbonates.","Organic & biomolecular chemistry","2016","14","24","5586","5590","10.1039/c6ob00501b","","","0.71075","MoKα","","0.0952","0.0867","","","0.2299","0.2389","","","","","","1.035","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155032","9.7915","0.0007","10.0496","0.0006","33.148","0.002","90","","90","","90","","3261.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 N O3 Rh -","- C31 H32 N O3 Rh -","- C124 H128 N4 O12 Rh4 -","4","1","","Zhao, Yi-Shuang; Liu, Jian-Kang; He, Zhi-Tao; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Two phenyls are better than one or three: synthesis and application of terminal olefin-oxazoline (TOlefOx) ligands.","Organic & biomolecular chemistry","2016","14","15","3686","3689","10.1039/c6ob00460a","","","0.71073","MoKα","","0.0499","0.0419","","","0.0963","0.1004","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155033","10.8993","0.0007","13.2135","0.0008","21.2588","0.0013","90","","90","","90","","3061.6","0.3","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O3 Rh -","- C37 H36 N O3 Rh -","- C148 H144 N4 O12 Rh4 -","4","1","","Zhao, Yi-Shuang; Liu, Jian-Kang; He, Zhi-Tao; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Two phenyls are better than one or three: synthesis and application of terminal olefin-oxazoline (TOlefOx) ligands.","Organic & biomolecular chemistry","2016","14","15","3686","3689","10.1039/c6ob00460a","","","0.71073","MoKα","","0.0347","0.03","","","0.0607","0.0626","","","","","","1.018","","","","has coordinates","182780","2020-10-21","18:00:00",""
"7155034","15.2591","0.0005","7.75811","0.00018","16.2453","0.0004","90","","105.972","0.003","90","","1848.91","0.09","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N4 -","- C23 H20 N4 -","- C92 H80 N16 -","4","1","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","1.54184","CuKα","","0.0494","0.0432","","","0.1163","0.1237","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155035","12.4993","0.0004","12.6093","0.0005","13.1403","0.0005","102.843","0.003","90.295","0.003","94.809","0.003","2011.49","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N3 O -","- C26 H19 N3 O -","- C104 H76 N12 O4 -","4","2","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","1.54184","CuKα","","0.0792","0.066","","","0.1803","0.2018","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155036","11.1295","0.0008","11.4081","0.001","12.1912","0.0009","90","","90","","90","","1547.9","0.2","295","2","295","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","0.71073","MoKα","","0.0578","0.0417","","","0.0987","0.1038","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155037","10.3826","0.0008","13.1881","0.0011","11.3683","0.0012","90","","105.41","0.01","90","","1500.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C76 H52 N12 O4 -","4","1","","Maroń, Anna; Szlapa, Agata; Klemens, Tomasz; Kula, Slawomir; Machura, Barbara; Krompiec, Stanisław; Małecki, Jan Grzegorz; Switlicka-Olszewska, Anna; Erfurt, Karol; Chrobok, Anna","Tuning the photophysical properties of 4'-substituted terpyridines - an experimental and theoretical study.","Organic & biomolecular chemistry","2016","14","15","3793","3808","10.1039/c6ob00038j","","x-ray","0.71073","MoKα","","0.1159","0.0641","","","0.1771","0.2021","","","","","","1.056","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7155038","16.652","0.002","6.8992","0.0009","18.61","0.003","90","","90","","90","","2138","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H15 N3 O3 -","- C10 H15 N3 O3 -","- C80 H120 N24 O24 -","8","1","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.71073","MoKα","","0.0659","0.0391","","","0.0841","0.0911","","","","","","0.926","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155039","7.6207","0.0007","12.3266","0.0012","11.1367","0.0011","90","","101.726","0.002","90","","1024.32","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H13 N3 O2 -","- C10 H13 N3 O2 -","- C40 H52 N12 O8 -","4","2","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.71073","MoKα","","0.0407","0.035","","","0.0883","0.0902","","","","","","1.004","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155040","27.5444","0.0014","4.0773","0.0004","26.9996","0.0014","90","","90","","90","","3032.2","0.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H16 Br N3 O4 -","- C15 H16 Br N3 O4 -","- C120 H128 Br8 N24 O32 -","8","2","","Broadley, Kenneth J.; Burnell, Erica; Davies, Robin H.; Lee, Alan T. L.; Snee, Stephen; Thomas, Eric J.","The synthesis of a series of adenosine A3 receptor agonists.","Organic & biomolecular chemistry","2016","14","15","3765","3781","10.1039/c6ob00244g","","","0.6889","synchrotron","","0.0716","0.0638","","","0.152","0.158","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155041","8.0842","0.0005","12.4461","0.0008","16.7654","0.0009","90","","90","","90","","1686.88","0.18","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Al Br O2 S -","- C15 H16 Al Br O2 S -","- C60 H64 Al4 Br4 O8 S4 -","4","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0599","0.0381","","","0.1043","0.1249","","","","","","0.827","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155042","8.2836","0.0009","10.3728","0.0011","19.708","0.003","90","","91.303","0.012","90","","1693","0.4","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O3 S -","- C18 H22 O3 S -","- C72 H88 O12 S4 -","4","2","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.1001","0.0801","","","0.199","0.2265","","","","","","1.072","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7155043","10.664","0.0007","9.233","0.0006","11.347","0.0007","90","","96.158","0.006","90","","1110.79","0.12","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H24 O3 S -","- C26 H24 O3 S -","- C52 H48 O6 S2 -","2","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0529","0.042","","","0.093","0.1015","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155044","9.1301","0.0004","10.89","0.0006","13.3698","0.0009","90","","90","","90","","1329.32","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Br O2 S -","- C13 H11 Br O2 S -","- C52 H44 Br4 O8 S4 -","4","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0468","0.0334","","","0.0677","0.0737","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155045","13.303","0.0011","10.8154","0.001","10.2401","0.0011","90","","109.676","0.011","90","","1387.3","0.2","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H30 O6 S2 -","- C30 H30 O6 S2 -","- C60 H60 O12 S4 -","2","0.5","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0464","0.0383","","","0.0943","0.1005","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155046","9.8624","0.0006","8.7885","0.0005","10.6755","0.0006","90","","102.966","0.005","90","","901.71","0.09","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(14S,15R)-14-deoxyoxacyclododecindione","","- C18 H23 Cl O6 -","- C18 H23 Cl O6 -","- C36 H46 Cl2 O12 -","2","1","","Tauber, Johannes; Rohr, Markus; Walter, Thorsten; Schollmeyer, Dieter; Rahn-Hotze, Karin; Erkel, Gerhard; Opatz, Till","A surprising switch in absolute configuration of anti-inflammatory macrolactones.","Organic & biomolecular chemistry","2016","14","15","3695","3698","10.1039/c6ob00430j","","","0.71073","MoKα","","0.069","0.0449","","","0.1022","0.126","","","","","","1.092","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155047","12.332","0.003","12.412","0.003","21.736","0.004","90.58","0.03","95.38","0.03","90","0.03","3312.2","1.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H50 N4 O7 -","- C32 H50 N4 O7 -","- C128 H200 N16 O28 -","4","4","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.1339","0.1216","","","0.3687","0.3761","","","","","","1.506","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155048","11.493","0.002","17.104","0.003","18.432","0.004","90","","103.96","0.03","90","","3516.3","1.2","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H52 N4 O9 -","- C32 H52 N4 O9 -","- C128 H208 N16 O36 -","4","2","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.0576","0.0527","","","0.1268","0.1299","","","","","","0.943","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155049","20.9","0.004","12.965","0.003","23.973","0.005","90","","100.04","0.03","90","","6396","2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H104 N8 O14 -","- C58 H104 N8 O14 -","- C232 H416 N32 O56 -","4","2","","Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.","Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.","Organic & biomolecular chemistry","2016","14","17","4089","4102","10.1039/c6ob00380j","","","1.54178","CuKα","","0.0645","0.0632","","","0.1738","0.1757","","","","","","1.023","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7155050","10.846","0.0013","11.5153","0.0015","14.8533","0.0018","90","","90","","90","","1855.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 S2 -","- C19 H19 N O2 S2 -","- C76 H76 N4 O8 S8 -","4","1","","Wu, Shanchao; Li, Yu; Zhang, Yongqiang; Fang, Kun; Dong, Guoqiang; Liu, Na; Miao, Zhenyuan; Yao, Jianzhong; Wang, Wei; Zhang, Wannian; Sheng, Chunquan","Enantioselective organocatalytic Michael addition of isorhodanines to α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2016","14","16","3926","3933","10.1039/c5ob02457a","","","0.71073","MoKα","","0.0775","0.0395","","","0.1071","0.1408","","","","","","0.75","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155051","5.1957","0.0004","12.039","0.0009","12.8927","0.001","112.826","0.002","90.743","0.002","102.195","0.002","722.48","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C28 H36 N4 O12 -","2","1","","Naumovich, Yana A.; Buckland, Victoria Emily; Sen'ko, Dmitry A.; Nelyubina, Yulia V.; Khoroshutina, Yulia A.; Sukhorukov, Alexey Yu; Ioffe, Sema L.","Metal-assisted addition of a nitrate anion to bis(oxy)enamines. A general approach to the synthesis of α-nitroxy-oxime derivatives from nitronates.","Organic & biomolecular chemistry","2016","14","16","3963","3974","10.1039/c6ob00388e","","","0.71073","MoKα","","0.0609","0.0442","","","0.1313","0.1493","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155052","13.301","0.003","13.892","0.004","6.7933","0.0016","90","","90","","90","","1255.2","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Ranjith Kumar, Gadi; Kiran Kumar, Yalla; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of benzofuranyl and indolyl methyl azides by tandem silver-catalyzed cyclization and azidation.","Organic & biomolecular chemistry","2016","14","17","4077","4088","10.1039/c6ob00191b","","","0.71075","MoKα","","0.0465","0.0363","","","0.0794","0.0825","","","","","","0.918","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155053","8.431","0.002","12.486","0.003","10.251","0.003","90","","90.558","0.005","90","","1079.1","0.5","293","","293","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C48 H44 N8 O4 S2 -","2","1","","Ranjith Kumar, Gadi; Kiran Kumar, Yalla; Kant, Ruchir; Sridhar Reddy, Maddi","Synthesis of benzofuranyl and indolyl methyl azides by tandem silver-catalyzed cyclization and azidation.","Organic & biomolecular chemistry","2016","14","17","4077","4088","10.1039/c6ob00191b","","","0.71075","MoKα","","0.0499","0.041","","","0.0925","0.0957","","","","","","0.948","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7155054","10.596","0.0008","13.0323","0.001","15.0398","0.0011","89.548","0.002","69.846","0.002","82.38","0.002","1930.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br Cl N2 O -","- C20 H20 Br Cl N2 O -","- C80 H80 Br4 Cl4 N8 O4 -","4","2","","Kuznetsov, N. Yu; Tikhov, R. M.; Godovikov, I. A.; Khrustalev, V. N.; Bubnov, Yu N.","New enolate-carbodiimide rearrangement in the concise synthesis of 6-amino-2,3-dihydro-4-pyridinones from homoallylamines.","Organic & biomolecular chemistry","2016","14","18","4283","4298","10.1039/c6ob00293e","","","0.71073","MoKα","","0.0766","0.0487","","","0.1136","0.1247","","","","","","1.001","","","","has coordinates,has disorder","182777","2020-10-21","18:00:00",""
"7155055","6.684","0.002","11.847","0.004","22.594","0.007","90","","90","","90","","1789.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","- C80 H76 Cl4 N8 O4 -","4","1","","Kuznetsov, N. Yu; Tikhov, R. M.; Godovikov, I. A.; Khrustalev, V. N.; Bubnov, Yu N.","New enolate-carbodiimide rearrangement in the concise synthesis of 6-amino-2,3-dihydro-4-pyridinones from homoallylamines.","Organic & biomolecular chemistry","2016","14","18","4283","4298","10.1039/c6ob00293e","","","0.71073","MoKα","","0.1784","0.0608","","","0.1131","0.1498","","","","","","1","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155056","10.928","0.0018","11.778","0.0019","13.075","0.002","87.909","0.003","87.569","0.003","77.316","0.002","1639.7","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H29 F6 N3 O3 -","- C36.5 H29 F6 N3 O3 -","- C73 H58 F12 N6 O6 -","2","1","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","","0.71073","MoKα","","0.0755","0.061","","","0.1636","0.1798","","","","","","1.041","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7155057","7.3173","0.0002","15.5645","0.0004","13.0802","0.0003","90","","90","","90","","1489.71","0.07","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","","0.71073","MoKα","","0.03","0.0294","","","0.0788","0.0795","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155058","12.5059","0.001","32.64","0.002","9.2776","0.0006","90","","93.765","0.007","90","","3778.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","2","","Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J.","Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines.","Organic & biomolecular chemistry","2016","14","16","3889","3905","10.1039/c6ob00471g","","x-ray","1.54184","CuKα","","0.1334","0.0919","","","0.1916","0.2091","","","","","","1.135","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155059","7.46841","0.00017","5.90109","0.00011","32.1078","0.001","90","","91.971","0.003","90","","1414.21","0.06","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B N2 -","- C19 H13 B N2 -","- C76 H52 B4 N8 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0554","0.0516","","","0.1498","0.1526","","","","","","1.09","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155060","7.35557","0.00013","5.95525","0.00011","31.4266","0.0006","90","","90.5796","0.0017","90","","1376.55","0.04","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 B N2 O2 -","- C18 H13 B N2 O2 -","- C72 H52 B4 N8 O8 -","4","1","","van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S.","Innocent BN bond substitution in anthracene derivatives.","Organic & biomolecular chemistry","2016","14","12","3256","3263","10.1039/c5ob02309b","","","1.54178","CuKα","","0.0446","0.0404","","","0.1092","0.1138","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155061","5.7178","0.0003","10.4187","0.0005","24.9522","0.0011","90","","90","","90","","1486.45","0.12","298","2","298","2","","","","","","","NA","4","P 21 21 21","P 2ac 2ab","19","NA","Benzimidazole nucleosides","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S.","Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis.","Organic & biomolecular chemistry","2016","14","17","4136","4145","10.1039/c6ob00527f","","","0.71073","MoKα","","0.0742","0.058","","","0.1795","0.2029","","","","","","1.22","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155062","13.7554","0.0004","18.6455","0.0005","5.3891","0.0001","90","","90","","90","","1382.18","0.06","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","NA","Bicyclic benzimidazole nucleoside","","- C14 H13 Cl N2 O3 -","- C14 H15 Cl N2 O4 -","- C56 H60 Cl4 N8 O16 -","4","1","","Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S.","Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis.","Organic & biomolecular chemistry","2016","14","17","4136","4145","10.1039/c6ob00527f","","","0.71073","MoKα","","0.0487","0.0388","","","0.1111","0.1328","","","","","","1.08","","","","has coordinates","182791","2020-10-21","18:00:00",""
"7155063","7.5256","0.0002","10.2095","0.0003","15.6299","0.0004","93.99","0.001","94.679","0.001","101.089","0.002","1170.07","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,3-dimethyl 4-(4-methoxyphenyl)-2-(4-methylphenyl) -1-oxo-1,2-dihydronapthalene-2,3-dicarboxylate","","- C28 H24 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0545","0.0415","","","0.1209","0.1328","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155064","12.1263","0.0011","11.8009","0.0011","16.0657","0.0013","90","","100.181","0.002","90","","2262.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 4-oxo-3-phenyl-1-(thiophen-2-yl)-3-(thiophen-3-yl)-3,4-dihydronaphthalene-2-carboxylate","","- C27 H20 O3 S2 -","- C27 H20 O3 S2 -","- C108 H80 O12 S8 -","4","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.1019","0.0608","","","0.1233","0.1475","","","","","","1.093","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7155065","10.9268","0.001","18.967","0.0014","12.2628","0.0009","90","","93.03","0.002","90","","2537.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-dimethyl 1-oxo-2(pyren-4-yl)-4-(thiophen-2-yl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C34 H22 O5 S -","- C34 H22 O5 S -","- C136 H88 O20 S4 -","4","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0611","0.0387","","","0.0888","0.1022","","","","","","1.037","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7155066","16.2811","0.0009","10.0247","0.0005","15.504","0.0009","90","","111.902","0.002","90","","2347.8","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3-dimethyl4-(naphthalen-1-yl)-1-oxo-2-phenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C30 H22 O5 -","- C30 H22 O5 -","- C120 H88 O20 -","4","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0522","0.039","","","0.107","0.1192","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155067","7.4725","0.0004","12.9073","0.0007","14.9503","0.0008","105.607","0.002","103.985","0.004","100.951","0.005","1296.5","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,3-dimethyl4-(5-hexylthiophen-2-yl)-1-oxo-2-phenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C30 H30 O5 S -","- C30 H30 O5 S -","- C60 H60 O10 S2 -","2","1","","Karunakaran, Jayachandran; Nandakumar, Meganathan; Senthil Kumar, Natarajan; Mohanakrishnan, Arasambattu K.","Synthetic transformation of 1,3-diarylisobenzofuran-DMAD adducts: a facile preparation of tri-substituted α-naphthols.","Organic & biomolecular chemistry","2016","14","18","4247","4259","10.1039/c6ob00628k","","","0.71073","MoKα","","0.0552","0.0398","","","0.1208","0.1409","","","","","","0.993","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155068","8.2596","0.0012","8.9504","0.0013","10.0044","0.0015","75.628","0.013","72.518","0.013","85.932","0.012","683.35","0.18","140","","140","","","","","","","","","4","P -1","-P 1","2","dimethyl quinoxaline dicarboxylate","Dimethyl 5,8-dimethylquinoxaline-2,3-dicarboxylate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Sagar, A.; Vidaycharan, Shinde; Shinde, Anand H.; Sharada, Duddu S.","Hypervalent iodine(iii)-promoted N-incorporation into N-aryl vinylogous carbamates to quinoxaline diesters: access to 1,4,5,8-tetraazaphenanthrene.","Organic & biomolecular chemistry","2016","14","17","4018","4022","10.1039/c6ob00447d","","","1.54184","CuKα","","0.0977","0.063","","","0.178","0.2209","","","","","","1.1126","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155069","28.78","0.03","6.621","0.007","15.245","0.018","90","","106.775","0.015","90","","2781","5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7a-methyl-2-phenyl-2-(trifluoromethyl)-3a,4-dihydrobenzo[d][1,3]dioxol-5(7aH)-one","","- C15 H13 F3 O3 -","- C15 H13 F3 O3 -","- C120 H104 F24 O24 -","8","1","","Li, Feng; Wang, Jingjing; Xu, Mengmeng; Zhao, Xiaobo; Zhou, Xiaohong; Zhao, Wen-Xian; Liu, Lantao","Catalytic stereoselective cascade reactions of quinols with trifluoromethyl ketones: direct access to CF3-containing 1,3-dioxolanes.","Organic & biomolecular chemistry","2016","14","16","3981","3988","10.1039/c6ob00281a","","","0.71073","MoKα","","0.0833","0.0545","","","0.1312","0.1499","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155070","11.9786","0.0015","12.3683","0.0016","12.7772","0.0017","76.842","0.002","66.138","0.002","62.478","0.002","1533.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H32 N2 O2 -","- C41 H32 N2 O2 -","- C82 H64 N4 O4 -","2","1","","Wang, Wen-Bo; Zhu, Yan-Shuo; Guo, Sheng-Qiang; Wang, Qi-Lin; Bu, Zhan-Wei","A FeCl3-catalyzed highly regioselective 1,2-addition/substitution sequence for the construction of coumarin-substituted bis(indolyl)methanes.","Organic & biomolecular chemistry","2016","14","19","4420","4425","10.1039/c6ob00515b","","","0.71073","MoKα","","0.0533","0.0416","","","0.118","0.1292","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155071","12.3797","0.0013","27.177","0.003","7.8604","0.0008","90","","98.193","0.002","90","","2617.6","0.5","115","","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H19 B N6 O2 -","- C33 H19 B N6 O2 -","- C132 H76 B4 N24 O8 -","4","1","","Bernhard, Yann; Gigot, Elodie; Goncalves, Victor; Moreau, Mathieu; Sok, Nicolas; Richard, Philippe; Decréau, Richard A","Direct subphthalocyanine conjugation to bombesin vs. indirect conjugation to its lipidic nanocarrier.","Organic & biomolecular chemistry","2016","14","19","4511","4518","10.1039/c6ob00530f","","x-ray","0.71073","MoKα","","0.059","0.048","","","0.1217","0.1298","","","","","","1.052","","","","has coordinates","183783","2020-10-21","18:00:00",""
"7155072","8.3931","0.0006","12.0705","0.0007","19.3724","0.001","90","","95.807","0.005","90","","1952.5","0.2","295.06","0.1","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N O5 P -","- C20 H22 N O5 P -","- C80 H88 N4 O20 P4 -","4","1","","Zhou, Zhao-Zhao; Zheng, Lan; Yan, Xiao-Biao; Jin, Dong-Po; He, Yu-Tao; Liang, Yong-Min","Silver-promoted cinnamamidyl radical-mediated oxidative cascade cyclization: highly regioselective synthesis of phosphorylated azaspiro[4.5]decenones.","Organic & biomolecular chemistry","2016","14","19","4507","4510","10.1039/c6ob00505e","","x-ray","0.71","MoKα","","0.1029","0.0592","","","0.1415","0.1785","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155073","8.7753","0.0001","21.3925","0.0002","12.0847","0.0001","90","","107.293","0.0012","90","","2166.06","0.04","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N O4 S -","- C12 H19 N O4 S -","- C72 H114 N6 O24 S6 -","6","3","","Panduwawala, Tharindi D.; Iqbal, Sarosh; Tirfoin, Rémi; Moloney, Mark G.","Chemoselectivity and stereoselectivity of cyclisation pathways leading to bicyclic tetramates controlled by ring-chain tautomerisation in thiazolidines.","Organic & biomolecular chemistry","2016","14","19","4464","4478","10.1039/c6ob00557h","","","1.5418","CuKα","","0.0293","0.0283","","0.0734","0.0723","0.0734","","","","","","0.9994","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155074","8.8135","0.0007","9.3935","0.0009","11.2015","0.001","78.735","0.008","81.657","0.007","85.426","0.007","898.61","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N O8 P -","- C16 H20 N O8 P -","- C32 H40 N2 O16 P2 -","2","1","","Smetanin, Ilia A.; Novikov, Mikhail S.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Kudryavtsev, Igor V.; Terpilowski, Maxim A.; Serebriakova, Maria K.; Trulioff, Andrey S.; Goncharov, Nikolay V.","A novel strategy for the synthesis of thermally stable and apoptosis-inducing 2,3-dihydroazetes.","Organic & biomolecular chemistry","2016","14","19","4479","4487","10.1039/c6ob00588h","","","0.7107","MoKα","","0.046","0.0377","","","0.0924","0.0982","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155075","9.47048","0.00018","8.60587","0.00017","18.2016","0.0004","90","","98.1319","0.0017","90","","1468.55","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O6 -","- C15 H15 N O6 -","- C60 H60 N4 O24 -","4","1","","Smetanin, Ilia A.; Novikov, Mikhail S.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Kudryavtsev, Igor V.; Terpilowski, Maxim A.; Serebriakova, Maria K.; Trulioff, Andrey S.; Goncharov, Nikolay V.","A novel strategy for the synthesis of thermally stable and apoptosis-inducing 2,3-dihydroazetes.","Organic & biomolecular chemistry","2016","14","19","4479","4487","10.1039/c6ob00588h","","","1.5418","CuKα","","0.0353","0.0322","","","0.0798","0.0827","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155076","9.4276","0.0005","11.2761","0.0009","11.6981","0.001","112.674","0.008","90.151","0.005","96.976","0.005","1137.32","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 N2 O2 -","- C31 H22 N2 O2 -","- C62 H44 N4 O4 -","2","1","","Tulichala, R. N. Prasad; Swamy, K. C. Kumara","Reactivity of alkynylindole-2-carboxamides in [Pd]-catalysed C-H activation and phase transfer catalysis: formation of pyrrolo-diindolones vs. β-carbolinones.","Organic & biomolecular chemistry","2016","14","19","4519","4533","10.1039/c6ob00583g","","","1.54184","CuKα","","0.0579","0.0449","","","0.1166","0.129","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155077","11.5059","0.0004","12.8459","0.0006","15.602","0.0008","106.081","0.004","93.226","0.004","109.728","0.004","2056.95","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","2","","Tulichala, R. N. Prasad; Swamy, K. C. Kumara","Reactivity of alkynylindole-2-carboxamides in [Pd]-catalysed C-H activation and phase transfer catalysis: formation of pyrrolo-diindolones vs. β-carbolinones.","Organic & biomolecular chemistry","2016","14","19","4519","4533","10.1039/c6ob00583g","","","1.54184","CuKα","","0.06","0.0488","","","0.1277","0.1402","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155078","11.3239","0.0005","12.888","0.0007","25.7528","0.0011","90","","90","","90","","3758.4","0.3","99.97","0.15","99.97","0.15","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 B2 N4 O6 -","- C38 H34 B2 N4 O6 -","- C152 H136 B8 N16 O24 -","4","1","","Liu, Bowen; Novikova, Nina; Simpson, M. Cather; Timmer, Mattie S. M.; Stocker, Bridget L.; Söhnel, Tilo; Ware, David C.; Brothers, Penelope J.","Lighting up sugars: fluorescent BODIPY-gluco-furanose and -septanose conjugates linked by direct B-O-C bonds.","Organic & biomolecular chemistry","2016","14","23","5205","5209","10.1039/c6ob00726k","","x-ray","1.54184","CuKα","","0.0534","0.0482","","","0.129","0.1326","","","","","","0.998","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155079","37.5988","0.0015","14.8713","0.0006","8.2281","0.0003","90","","93.381","0.003","90","","4592.7","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","1:1 ?-glucofuranose BODIPY ester","","","- C44 H46 B2 N4 O17 -","- C44 H46 B2 N4 O17 -","- C176 H184 B8 N16 O68 -","4","1","","Liu, Bowen; Novikova, Nina; Simpson, M. Cather; Timmer, Mattie S. M.; Stocker, Bridget L.; Söhnel, Tilo; Ware, David C.; Brothers, Penelope J.","Lighting up sugars: fluorescent BODIPY-gluco-furanose and -septanose conjugates linked by direct B-O-C bonds.","Organic & biomolecular chemistry","2016","14","23","5205","5209","10.1039/c6ob00726k","","","0.71073","MoKα","","0.092","0.0871","","","0.2318","0.2389","","","","","","1.081","","","","has coordinates","183778","2020-10-21","18:00:00",""
"7155080","5.6525","0.0014","7.679","0.002","32.488","0.009","90","","90","","90","","1410.2","0.6","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Qian, Bao-Chen; Kamori, Akiko; Kinami, Kyoko; Kato, Atsushi; Li, Yi-Xian; Fleet, George W. J.; Yu, Chu-Yi","Epimerization of C5 of an N-hydroxypyrrolidine in the synthesis of swainsonine related iminosugars.","Organic & biomolecular chemistry","2016","14","19","4488","4498","10.1039/c6ob00531d","","","0.71073","MoKα","","0.035","0.0337","","","0.0726","0.0733","","","","","","1.117","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155081","5.5868","0.0004","6.1938","0.0004","31.33","0.002","90","","90","","90","","1084.13","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0306","0.0267","","","0.0595","0.061","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155082","23.8066","0.0009","5.4476","0.0002","10.6667","0.0004","90","","109.766","0.001","90","","1301.85","0.08","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H12 N4 O7 S -","- C9 H12 N4 O7 S -","- C36 H48 N16 O28 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0243","0.0232","","","0.0578","0.0584","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155083","5.813","0.009","9.696","0.014","11.51","0.02","90","","97.53","0.05","90","","643.1","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 N2 O6 S -","- C11 H16 N2 O6 S -","- C22 H32 N4 O12 S2 -","2","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0757","0.0604","","","0.139","0.1454","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155084","6.2462","0.0004","9.5487","0.0007","20.1585","0.0015","90","","90","","90","","1202.32","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N4 O5 S -","- C9 H12 N4 O5 S -","- C36 H48 N16 O20 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0445","0.0354","","","0.0788","0.0833","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155085","6.4782","0.0003","9.8389","0.0004","28.471","0.0012","90","","90","","90","","1814.69","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 B N2 O7 S -","- C17 H19 B N2 O7 S -","- C68 H76 B4 N8 O28 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0474","0.0376","","","0.0742","0.0771","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155086","11.8465","0.0005","23.7593","0.001","6.5189","0.0003","90","","90","","90","","1834.84","0.14","140","2","140","2","","","","","","","plant","3","P 21 21 21","P 2ac 2ab","19","","(4S,5S,9S,10R)-13,14-seco-13-oxo-18-hydroxy-ent-abieta-7-en-14- oic acid","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Xiong, Juan; Hong, Zhi-Lai; Xu, Peng; Zou, Yike; Yu, Shang-Bo; Yang, Guo-Xun; Hu, Jin-Feng","ent-Abietane diterpenoids with anti-neuroinflammatory activity from the rare Chloranthaceae plant Chloranthus oldhamii.","Organic & biomolecular chemistry","2016","14","20","4678","4689","10.1039/c6ob00731g","","","1.54178","CuKα","","0.0625","0.057","","","0.158","0.1632","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155087","14.6923","0.0014","5.7956","0.0006","18.3537","0.0017","90","","103.638","0.007","90","","1518.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Bhunia, Anup; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Synthesis of 4H-chromenes by an unexpected, K3PO4-mediated intramolecular Rauhut-Currier type reaction.","Organic & biomolecular chemistry","2016","14","24","5612","5616","10.1039/c6ob00654j","","","0.71073","MoKα","","0.0697","0.0462","","","0.1054","0.118","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155088","6.07","0.001","21.309","0.003","14.389","0.002","90","","93.273","0.002","90","","1858.1","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Bhunia, Anup; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Synthesis of 4H-chromenes by an unexpected, K3PO4-mediated intramolecular Rauhut-Currier type reaction.","Organic & biomolecular chemistry","2016","14","24","5612","5616","10.1039/c6ob00654j","","","0.71073","MoKα","","0.0423","0.0378","","","0.0949","0.0987","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155089","5.808","0.0007","29.856","0.004","9.5397","0.0011","90","","90.185","0.007","90","","1654.2","0.4","296","2","296","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","triazolyl","triazolyl","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","2","","Bag, Subhendu Sekhar; Talukdar, Sangita; Das, Suman Kalyan; Pradhan, Manoj Kumar; Mukherjee, Soumen","Donor/acceptor chromophores-decorated triazolyl unnatural nucleosides: synthesis, photophysical properties and study of interaction with BSA.","Organic & biomolecular chemistry","2016","14","22","5088","5108","10.1039/c6ob00500d","","x-ray","0.71073","MoKα","","0.0881","0.0478","","","0.0913","0.1066","","","","","","0.989","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155090","6.4456","0.0007","9.8102","0.0008","21.821","0.0019","90","","90","","90","","1379.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triazolyl","triazolyl","","- C13 H14 N4 O5 -","- C13 H14 N4 O5 -","- C52 H56 N16 O20 -","4","1","","Bag, Subhendu Sekhar; Talukdar, Sangita; Das, Suman Kalyan; Pradhan, Manoj Kumar; Mukherjee, Soumen","Donor/acceptor chromophores-decorated triazolyl unnatural nucleosides: synthesis, photophysical properties and study of interaction with BSA.","Organic & biomolecular chemistry","2016","14","22","5088","5108","10.1039/c6ob00500d","","x-ray","0.71073","MoKα","","0.1109","0.0509","","","0.0965","0.1143","","","","","","0.933","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155091","8.0136","0.0016","10.278","0.002","13.463","0.003","70.38","0.03","86.42","0.03","78.55","0.03","1023.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C46 H64 O6 -","2","1","","Zhao, Yi-Shuang; Tang, Xiao-Qi; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Efficient access to cis-decalinol frameworks: copper(i)-catalyzed borylative cyclization of allene cyclohexanediones.","Organic & biomolecular chemistry","2016","14","19","4400","4404","10.1039/c6ob00804f","","","1.54178","CuKα","","0.0459","0.0441","","","0.1229","0.125","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155092","10.555","0.002","7.2517","0.0015","18.652","0.004","90","","101.9","0.03","90","","1397","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 B O3 -","- C15 H21 B O3 -","- C60 H84 B4 O12 -","4","1","","Zhao, Yi-Shuang; Tang, Xiao-Qi; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Efficient access to cis-decalinol frameworks: copper(i)-catalyzed borylative cyclization of allene cyclohexanediones.","Organic & biomolecular chemistry","2016","14","19","4400","4404","10.1039/c6ob00804f","","","1.54178","CuKα","","0.0405","0.0398","","","0.1055","0.1061","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155093","26.3331","0.0015","6.7154","0.0004","12.9775","0.0007","90","","101.913","0.003","90","","2245.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4gip233b","4gip233b","","- C23 H29 N3 O6 -","- C23 H29 N3 O6 -","- C92 H116 N12 O24 -","4","1","","Kensy, Victoria K.; Peterson, Gregory I.; Church, Derek C.; Yakelis, Neal A.; Boydston, Andrew J.","Investigation of the dynamic nature of 1,2-oxazines derived from peralkylcyclopentadiene and nitrosocarbonyl species.","Organic & biomolecular chemistry","2016","14","24","5617","5621","10.1039/c6ob00400h","","","0.71073","MoKα","","0.0791","0.0417","","","0.0885","0.102","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155094","11.526","0.005","22.824","0.005","8.601","0.005","90","0.005","96.987","0.005","90","0.005","2245.9","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4gip233a","4gip233a","","- C23 H29 N3 O6 -","- C23 H29 N3 O6 -","- C92 H116 N12 O24 -","4","1","","Kensy, Victoria K.; Peterson, Gregory I.; Church, Derek C.; Yakelis, Neal A.; Boydston, Andrew J.","Investigation of the dynamic nature of 1,2-oxazines derived from peralkylcyclopentadiene and nitrosocarbonyl species.","Organic & biomolecular chemistry","2016","14","24","5617","5621","10.1039/c6ob00400h","","","0.71073","MoKα","","0.0686","0.0581","","","0.1371","0.1422","","","","","","1.13","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155095","11.592","0.002","11.7363","0.0013","11.788","0.0013","118.728","0.001","104.041","0.002","100.602","0.002","1276.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 Cl N O2 S Si2 -","- C23 H30 Cl N O2 S Si2 -","- C46 H60 Cl2 N2 O4 S2 Si4 -","2","1","","Karmakar, Rajdip; Wang, Kung-Pern; Yun, Sang Young; Mamidipalli, Phani; Lee, Daesung","Hydrohalogenative aromatization of multiynes promoted by ruthenium alkylidene complexes.","Organic & biomolecular chemistry","2016","14","21","4782","4788","10.1039/c6ob00524a","","","0.71073","MoKα","","0.0346","0.0284","","","0.1189","0.1314","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155096","10.9257","0.0005","12.2016","0.0004","12.7292","0.0004","111.624","0.003","97.49","0.003","110.94","0.004","1404.62","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 F3 N2 O7 -","- C30 H31 F3 N2 O7 -","- C60 H62 F6 N4 O14 -","2","1","","Pascal, Simon; Besnard, Céline; Zinna, Francesco; Di Bari, Lorenzo; Le Guennic, Boris; Jacquemin, Denis; Lacour, Jérôme","Zwitterionic [4]helicene: a water-soluble and reversible pH-triggered ECD/CPL chiroptical switch in the UV and red spectral regions.","Organic & biomolecular chemistry","2016","14","20","4590","4594","10.1039/c6ob00752j","","x-ray","1.5418","CuKα","","0.0514","0.0465","","","0.1259","0.1309","","","","","","1.061","","","","has coordinates,has disorder","183770","2020-10-21","18:00:00",""
"7155097","12.454","0.0009","10.0078","0.0003","16.746","0.0008","90","","109.346","0.008","90","","1969.3","0.2","106.1","","106.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hydrazine 4ab","diethyl 1-(1-chloroethanesulfonyl)-2-(4-nitrobenzoyl)hydrazine-1,2-dicarboxylate","","- C15 H18 Cl N3 O9 S -","- C15 H18 Cl N3 O9 S -","- C60 H72 Cl4 N12 O36 S4 -","4","1","","Zhou, Bingnan; Xu, Jiaxi","Tertiary amine-catalyzed and direct synthesis of α-chloroalkanesulfonylhydrazines from azodicarboxylates and sulfonyl chlorides.","Organic & biomolecular chemistry","2016","14","21","4918","4926","10.1039/c6ob00648e","","","0.7107","MoKα","","0.0692","0.0572","","","0.1348","0.1418","","","","","","1.067","","","","has coordinates,has disorder","301861","2025-08-22","11:12:27",""
"7155098","10.3564","0.0013","12.0563","0.0015","14.1956","0.0018","69.77","0.005","82.139","0.006","68.496","0.005","1547.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","Benzyl 2-diethoxyphosphoryloxy-2,3-diphenyl-3-(N-tosylamino)propioate","","- C33 H36 N O8 P S -","- C33 H36 N O8 P S -","- C66 H72 N2 O16 P2 S2 -","2","1","","Kondoh, Azusa; Terada, Masahiro","Brønsted base-catalyzed three-component coupling reaction of α-ketoesters, imines, and diethyl phosphite utilizing [1,2]-phospha-Brook rearrangement.","Organic & biomolecular chemistry","2016","14","20","4704","4711","10.1039/c6ob00739b","","","0.71075","MoKα","","0.073","0.0627","","","0.1554","0.1641","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155099","9.2124","0.0017","24.401","0.005","12.236","0.002","90","","91.337","0.006","90","","2749.8","0.9","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Benzyl 2-diethoxyphosphoryloxy-4-nitro-2,3-diphenylbutanoate","","- C27 H30 N O8 P -","- C27 H30 N O8 P -","- C108 H120 N4 O32 P4 -","4","1","","Kondoh, Azusa; Terada, Masahiro","Brønsted base-catalyzed three-component coupling reaction of α-ketoesters, imines, and diethyl phosphite utilizing [1,2]-phospha-Brook rearrangement.","Organic & biomolecular chemistry","2016","14","20","4704","4711","10.1039/c6ob00739b","","","0.71075","MoKα","","0.0597","0.0482","","","0.1077","0.1137","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:12:27",""
"7155100","13.7074","0.0004","16.534","0.0005","7.8722","0.0002","90","","103.803","0.002","90","","1732.62","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,6-dimethylphenyl)-9-methyl-2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Hernández-Vázquez, Eduardo; Miranda, Luis D.","Practical synthesis and cytotoxic evaluation of the pyrazino[1,2-b]-isoquinoline ring system.","Organic & biomolecular chemistry","2016","14","21","4875","4884","10.1039/c6ob00431h","","","0.71073","MoKα","","0.1155","0.05","","","0.1121","0.1404","","","","","","0.912","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155101","6.0126","0.0002","8.6199","0.0002","14.4875","0.0004","87.165","0.001","79.597","0.001","86.91","0.001","736.84","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2-benzyl–2H-pyrazino[1,2-b]isoquinoline-1,4(3H,6H)-dione","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C38 H32 N4 O4 -","2","1","","Hernández-Vázquez, Eduardo; Miranda, Luis D.","Practical synthesis and cytotoxic evaluation of the pyrazino[1,2-b]-isoquinoline ring system.","Organic & biomolecular chemistry","2016","14","21","4875","4884","10.1039/c6ob00431h","","","0.71073","MoKα","","0.0585","0.0395","","","0.1018","0.1134","","","","","","1.038","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155102","14.7051","0.0013","7.9191","0.0007","26.746","0.002","90","","93.6625","0.0013","90","","3108.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C128 H104 Cl16 N8 O32 -","8","1","","Karak, Milandip; Barbosa, Luiz C. A.; Acosta, Jaime A. M.; Sarotti, Ariel M.; Boukouvalas, John","Thermodynamically driven, syn-selective vinylogous aldol reaction of tetronamides.","Organic & biomolecular chemistry","2016","14","21","4897","4907","10.1039/c6ob00895j","","","0.71073","MoKα","","0.0441","0.0334","","","0.0759","0.0816","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155103","12.8328","0.0002","26.5383","0.0004","9.2577","0.0001","90","","90","","90","","3152.81","0.08","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C128 H104 Cl16 N8 O32 -","8","1","","Karak, Milandip; Barbosa, Luiz C. A.; Acosta, Jaime A. M.; Sarotti, Ariel M.; Boukouvalas, John","Thermodynamically driven, syn-selective vinylogous aldol reaction of tetronamides.","Organic & biomolecular chemistry","2016","14","21","4897","4907","10.1039/c6ob00895j","","x-ray","1.54178","CuKα","","0.0307","0.0307","","","0.0805","0.0806","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155104","17.381","0.003","13.319","0.002","18.156","0.003","90","","90","","90","","4203.1","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 O5 P -","- C24 H25 O5 P -","- C192 H200 O40 P8 -","8","1","","Koppanathi, Nagaraju; Swamy, K. C. Kumara","Regioselective carboannulation of electron-deficient allenes with dialkyl (2-formylphenyl)malonates leading to multisubstituted naphthalenes.","Organic & biomolecular chemistry","2016","14","22","5079","5087","10.1039/c6ob00787b","","","0.71073","MoKα","","0.0777","0.0487","","","0.1147","0.1328","","","","","","0.954","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155105","10.0372","0.0004","13.0997","0.0005","15.0079","0.0005","90","","90","","90","","1973.3","0.13","100","2","100","2","","","","","","","stable","3","P 21 21 21","P 2ac 2ab","19","","(R,E)-2-(1-oxo-1-phenylpropan-2-ylidene)-4-phenyl-1,10b-dihydro-2H,5H-pyrano[3,4-c]chromen-5-one","","- C27 H20 O4 -","- C27 H20 O4 -","- C108 H80 O16 -","4","1","","Han, Xiaoyu; Ni, Huanzhen; Chan, Wai-Lun; Gai, Xikun; Wang, Yongjiang; Lu, Yixin","Highly enantioselective synthesis of dihydrocoumarin-fused dihydropyrans via the phosphine-catalyzed [4 + 2] annulation of allenones with 3-aroylcoumarins.","Organic & biomolecular chemistry","2016","14","22","5059","5064","10.1039/c6ob00955g","","","1.54178","CuKα","","0.0305","0.0302","","","0.0793","0.0796","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155106","9.7777","0.0006","14.7275","0.0009","18.3746","0.0013","94.956","0.003","98.625","0.003","90.324","0.003","2605.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C112 H88 I8 N16 -","8","4","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.1163","0.0729","","","0.2179","0.2551","","","","","","1.65","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155107","8.2657","0.0004","14.1996","0.0006","21.2896","0.0009","90","","90","","90","","2498.75","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C112 H88 I8 N16 -","8","2","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.0453","0.0395","","","0.1181","0.1313","","","","","","1.147","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155108","10.5054","0.0006","13.8935","0.0009","14.8405","0.001","102.826","0.004","105.411","0.004","94.441","0.004","2014.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 I N2 S -","- C15 H9 I N2 S -","- C90 H54 I6 N12 S6 -","6","3","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.1079","0.048","","","0.1332","0.1859","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155109","8.805","0.003","9.007","0.004","10.923","0.004","67.435","0.009","78.145","0.009","73.817","0.01","763.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","","Chen, Tingting; Cai, Chun","Imidazolylpyridine-In(OTf)3 catalyzed enantioselective allylation of ketimines derived from isatins.","Organic & biomolecular chemistry","2016","14","22","5019","5022","10.1039/c6ob00551a","","","0.71073","MoKα","","0.0824","0.0776","","","0.2292","0.2368","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155110","8.4625","0.0004","22.0335","0.0009","33.7885","0.0014","90","","90.083","0.001","90","","6300.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O4 S2 -","- C23 H20 N2 O4 S2 -","- C276 H240 N24 O48 S24 -","12","3","","Zhang, Xiaolei; Wu, Rui; Liu, Wanyi; Qian, Dang-Wei; Yang, Jinhui; Jiang, Pengju; Zheng, Qing-Zhong","Copper-catalyzed intermolecular amidation of 8-methylquinolines with N-fluoroarylsulfonimides via Csp(3)-H activation.","Organic & biomolecular chemistry","2016","14","21","4789","4793","10.1039/c6ob00553e","","","0.71073","MoKα","","0.1493","0.1272","","","0.2561","0.2668","","","","","","1.216","","","","has coordinates","183773","2020-10-21","18:00:00",""
"7155111","10.5253","0.0007","19.4986","0.0012","15.3673","0.001","90","","90.034","0.002","90","","3153.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H42 N2 O2 -","- C38 H42 N2 O2 -","- C152 H168 N8 O8 -","4","2","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.154","0.137","","","0.3205","0.3306","","","","","","1.081","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155112","9.5","0.005","11.269","0.005","12.113","0.006","111.974","0.007","97.28","0.008","101.443","0.007","1149.5","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O -","- C29 H26 N2 O -","- C58 H52 N4 O2 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0897","0.0551","","","0.1439","0.2038","","","","","","0.885","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155113","9.752","0.014","11.395","0.016","12.462","0.017","105.79","0.03","107.47","0.02","99.95","0.02","1221","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O -","- C29 H26 N2 O -","- C58 H52 N4 O2 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.1476","0.0693","","","0.1651","0.2299","","","","","","0.841","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155114","9.0981","0.0018","20.673","0.004","24.866","0.005","90","","90","","90","","4676.9","1.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N3 -","- C30 H27 N3 -","- C240 H216 N24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0931","0.0513","","","0.1145","0.15","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155115","19.869","0.009","8.329","0.003","23.3","0.009","90","","110.432","0.012","90","","3613","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N3 -","- C23 H21 N3 -","- C184 H168 N24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0903","0.0644","","","0.1709","0.1952","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155116","7.845","0.005","9.525","0.003","14.475","0.005","102.857","0.005","103.298","0.002","104.067","0.005","975.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O2 -","- C23 H26 N2 O2 -","- C46 H52 N4 O4 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.0845","0.0567","","","0.1437","0.1677","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155117","9.929","0.004","10.675","0.004","12.143","0.004","90.655","0.007","113.506","0.006","109.344","0.006","1098.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C58 H52 N4 O4 -","2","1","","Dethe, Dattatraya H.; Boda, Raghavender","Expedient synthesis of densely substituted pyrrolo[1,2-a]indoles.","Organic & biomolecular chemistry","2016","14","24","5843","5860","10.1039/c6ob00861e","","","0.71073","MoKα","","0.067","0.0512","","","0.1243","0.1503","","","","","","1.09","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155118","13.9952","0.0018","8.4878","0.0011","16.603","0.002","90","","101.548","0.002","90","","1932.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0775","0.05","","","0.1536","0.174","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155119","8.4422","0.0013","9.1367","0.0014","12.95","0.002","98.373","0.002","97.607","0.002","101.428","0.002","955.2","0.3","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0535","0.0468","","","0.1478","0.158","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155120","9.4039","0.001","17.681","0.002","12.434","0.0014","90","","110.481","0.002","90","","1936.7","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0454","0.0378","","","0.1086","0.1164","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155121","9.1206","0.0007","12.5475","0.0009","15.2318","0.0011","103.415","0.001","99.625","0.001","110.111","0.001","1532.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 O8 -","- C34 H33 N3 O8 -","- C68 H66 N6 O16 -","2","1","","Liu, Yi-Yin; Duan, Shu-Wen; Zhang, Rui; Liu, Yun-Hang; Chen, Jia-Rong; Xiao, Wen-Jing","Base-catalyzed controllable reaction of 3-ylideneoxindoles with O-Boc hydroxycarbamates for the synthesis of amidoacrylates and spiroaziridine oxindoles.","Organic & biomolecular chemistry","2016","14","23","5224","5228","10.1039/c6ob00891g","","","0.71073","MoKα","","0.0755","0.0626","","","0.1403","0.1488","","","","","","1.099","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155122","9.4639","0.0006","18.9173","0.0012","12.0648","0.0008","90","","103.506","0.001","90","","2100.2","0.2","130","","130","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H16 Cl F3 N2 O3 -","- C18 H16 Cl F3 N2 O3 -","- C72 H64 Cl4 F12 N8 O12 -","4","2","","Zhou, Ding; Yu, Xueting; Zhang, Jian; Wang, Wei; Xie, Hexin","Organocatalytic asymmetric addition of alcohols to cyclic trifluoromethyl ketimines: highly enantioselective synthesis of chiral N,O-ketals.","Organic & biomolecular chemistry","2016","14","26","6193","6196","10.1039/c6ob00890a","","","0.71073","MoKα","","0.0665","0.0564","","","0.1572","0.1661","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155123","5.7389","0.0004","11.4338","0.0008","22.2456","0.0018","90","","90","","90","","1459.7","0.19","207","70","207","70","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Fu, Xuan; Lin, Lili; Xia, Yong; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric [3 + 3] annulation of cyclopropanes with mercaptoacetaldehyde.","Organic & biomolecular chemistry","2016","14","25","5914","5917","10.1039/c6ob00948d","","x-ray","0.71073","MoKα","","0.0467","0.0432","","","0.1019","0.1068","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155124","7.5608","0.0008","13.1579","0.0014","16.9471","0.0018","90","","90","","90","","1686","0.3","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C68 H84 N4 O20 S4 -","4","1","","Fu, Jian-Guo; Shan, Yi-Fan; Sun, Wang-Bin; Lin, Guo-Qiang; Sun, Bing-Feng","An asymmetric approach to bicyclo[2.2.1]heptane-1-carboxylates via a formal [4 + 2] cycloaddition reaction enabled by organocatalysis.","Organic & biomolecular chemistry","2016","14","23","5229","5232","10.1039/c6ob00814c","","","0.71073","MoKα","","0.0462","0.0395","","","0.0933","0.097","","","","","","1.03","","","","has coordinates,has disorder","183779","2020-10-21","18:00:00",""
"7155125","5.4675","0.0003","9.3791","0.0007","11.1931","0.0009","84.624","0.005","79.858","0.004","82.835","0.004","559.09","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 F N O2 -","- C15 H8 F N O2 -","- C30 H16 F2 N2 O4 -","2","1","","Ali, Wajid; Modi, Anju; Behera, Ahalya; Mohanta, Prakash Ranjan; Patel, Bhisma K.","Cs2CO3 as a source of carbonyl and ethereal oxygen in a Cu-catalysed cascade synthesis of benzofuran [3,2-c] quinolin-6[5-H]ones.","Organic & biomolecular chemistry","2016","14","25","5940","5944","10.1039/c6ob01029f","","","0.71073","MoKα","","0.1528","0.0759","","","0.1259","0.1537","","","","","","0.931","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155126","5.8626","0.0012","8.971","0.0018","15.298","0.003","94.01","0.03","94","0.03","92.42","0.03","799.8","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O -","- C21 H18 O -","- C42 H36 O2 -","2","1","","Zhong, Shanshan; Lu, Yu; Zhang, Yan; Liu, Yunyun; Wan, Jie-Ping","Synthesis of β,β-diaryl propiophenones via palladium-catalyzed domino arylboronation, elimination and enone hydroarylation of enaminones.","Organic & biomolecular chemistry","2016","14","26","6270","6273","10.1039/c6ob01038e","","","0.71073","MoKα","","0.0706","0.0382","","","0.1025","0.1408","","","","","","1.129","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155127","11.689","0.002","17.969","0.004","12.35","0.003","90","","90.44","0.03","90","","2593.9","1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R,E)-tert-butyl 3-(4-bromobenzylidene)-4-((S)-1-(4-methoxyphenyl)-2-nitroethyl)-2,5-dioxopyrrolidine-1-carboxylate","","- C25 H25 Br N2 O7 -","- C25 H25 Br N2 O7 -","- C100 H100 Br4 N8 O28 -","4","2","","Zhao, Bo-Liang; Zhang, Dongxiang; Liu, Lei; Du, Da-Ming","Organocatalytic asymmetric Michael addition of α-alkylidene succinimides to nitrostyrenes.","Organic & biomolecular chemistry","2016","14","26","6337","6345","10.1039/c6ob00711b","","","0.71073","MoKα","","0.0632","0.053","","","0.1486","0.1722","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155128","8.1994","0.0005","5.9821","0.0004","13.9212","0.0009","90","","93.572","0.006","90","","681.5","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 F3 N2 O4 -","- C12 H13 F3 N2 O4 -","- C24 H26 F6 N4 O8 -","2","1","","You, Zhi-Hao; Chen, Ying-Han; Liu, Yan-Kai","From racemic precursors to fully stereocontrolled products: one-pot synthesis of chiral α-amino lactones and lactams.","Organic & biomolecular chemistry","2016","14","26","6316","6327","10.1039/c6ob00953k","","","1.54184","CuKα","","0.0639","0.0547","","","0.1551","0.1662","","","","","","1.046","","","","has coordinates","185629","2020-10-21","18:00:00",""
"7155129","5.4617","0.0003","8.2109","0.0005","23.4585","0.0011","90","","90","","90","","1052.01","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","You, Zhi-Hao; Chen, Ying-Han; Liu, Yan-Kai","From racemic precursors to fully stereocontrolled products: one-pot synthesis of chiral α-amino lactones and lactams.","Organic & biomolecular chemistry","2016","14","26","6316","6327","10.1039/c6ob00953k","","","1.54184","CuKα","","0.0599","0.0457","","","0.1115","0.1229","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155130","8.7507","0.0008","13.2608","0.0011","12.676","0.0011","90","","93.655","0.004","90","","1467.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C56 H72 N8 O24 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0806","0.0539","","","0.1388","0.1555","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155131","8.7337","0.001","10.5429","0.0013","11.3995","0.0014","64.657","0.004","80","0.004","74.626","0.004","912.5","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C40 H44 N4 O12 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0685","0.0464","","","0.1243","0.1432","","","","","","1.099","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155132","11.095","0.0013","10.2803","0.0013","19.4298","0.0019","90","","109.348","0.006","90","","2091","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C88 H104 N8 O24 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1178","0.0586","","","0.1284","0.1522","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155133","7.952","0.002","12.865","0.003","16.507","0.004","90","","107.409","0.012","90","","1611.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O6 S -","- C14 H18 N2 O6 S -","- C56 H72 N8 O24 S4 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0688","0.0469","","","0.1296","0.1493","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155134","8.8046","0.0014","10.5597","0.0017","11.8943","0.0019","69.617","0.004","83.083","0.004","73.659","0.004","994.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Br N2 O6 S -","- C19 H19 Br N2 O6 S -","- C38 H38 Br2 N4 O12 S2 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0449","0.0369","","","0.0934","0.0971","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155135","9.954","0.007","16.203","0.01","13.457","0.007","90","","96.401","0.019","90","","2157","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C84 H96 N8 O24 S4 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1392","0.0927","","","0.2615","0.3022","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155136","9.3547","0.0017","10.5618","0.0019","11.822","0.002","63.544","0.005","75.007","0.005","71.573","0.005","982.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O6 -","- C21 H24 N2 O6 -","- C42 H48 N4 O12 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0854","0.0451","","","0.1086","0.128","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155137","8.5073","0.0018","10.502","0.002","11.966","0.003","101.061","0.007","101.512","0.007","93.112","0.007","1023.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O10 -","- C18 H22 N2 O10 -","- C36 H44 N4 O20 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1218","0.0556","","","0.1301","0.1606","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155138","8.6218","0.0014","15.664","0.002","16.949","0.003","77.049","0.005","78.276","0.004","89.931","0.005","2181.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O10 -","- C19 H24 N2 O10 -","- C76 H96 N8 O40 -","4","2","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1215","0.0705","","","0.1796","0.1974","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155139","13.2804","0.0018","12.6107","0.0015","17.7624","0.0019","90","","125.573","0.007","90","","2419.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O10 -","- C24 H26 N2 O10 -","- C96 H104 N8 O40 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1011","0.0496","","","0.1171","0.1464","","","","","","1.081","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155140","10.685","0.002","11.358","0.002","13.19","0.002","74.859","0.006","68.301","0.005","76.133","0.006","1417.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O10 -","- C30 H30 N2 O10 -","- C60 H60 N4 O20 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0921","0.0526","","","0.1138","0.1302","","","","","","1.028","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155141","13.234","0.003","9.2233","0.0016","20.475","0.004","90","","102.781","0.006","90","","2437.3","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O10 -","- C22 H30 N2 O10 -","- C88 H120 N8 O40 -","4","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.1397","0.0649","","","0.1525","0.1769","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155142","8.6267","0.0014","10.6646","0.0015","11.1642","0.0017","113.847","0.004","92.046","0.005","97.197","0.005","927.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O7 -","- C18 H22 N2 O7 -","- C36 H44 N4 O14 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.095","0.0529","","","0.1261","0.143","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155143","7.1148","0.0017","11.372","0.003","12.653","0.003","110.96","0.007","91.815","0.008","93.31","0.008","952.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Br N2 O6 -","- C18 H19 Br N2 O6 -","- C36 H38 Br2 N4 O12 -","2","1","","Chen, Liang; Sun, Jing; Xie, Ju; Yan, Chao-Guo","Molecular diversity of the three-component reaction of α-amino acids, dialkyl acetylenedicarboxylates and N-substituted maleimides.","Organic & biomolecular chemistry","2016","14","27","6497","6507","10.1039/c6ob00921b","","","0.71073","MoKα","","0.0735","0.0552","","","0.1315","0.1398","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155144","6.2368","0.0003","12.0269","0.0005","12.3293","0.0006","107.207","0.002","92.248","0.002","98.168","0.002","871.22","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 F O4 -","- C22 H15 F O4 -","- C44 H30 F2 O8 -","2","1","","Xie, Yuanwei; Yu, Chenxia; Que, Yonglei; Li, Tuanjie; Wang, Yuhong; Lu, Yinan; Wang, Wenjing; Shen, Shide; Yao, Changsheng","N-Heterocyclic carbene-triggered transition-metal-free synthesis of 2,3-disubstituted benzofuran derivatives.","Organic & biomolecular chemistry","2016","14","27","6463","6469","10.1039/c6ob00363j","","","0.71073","MoKα","","0.1268","0.0946","","","0.3069","0.3526","","","","","","1.338","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155145","17.926","0.012","14.393","0.01","8.191","0.006","90","","93.891","0.014","90","","2108","3","230","2","230","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H76 -","- C48 H76 -","- C96 H152 -","2","0.5","","Lidster, Benjamin J.; Kumar, Dharam R.; Spring, Andrew M.; Yu, Chin-Yang; Helliwell, Madeleine; Raftery, James; Turner, Michael L.","Alkyl substituted [2.2]paracyclophane-1,9-dienes.","Organic & biomolecular chemistry","2016","14","25","6079","6087","10.1039/c6ob00885b","","","0.71073","MoKα","","0.0719","0.0538","","","0.1449","0.1546","","","","","","0.958","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155146","10.6209","0.0017","10.0531","0.0016","10.7441","0.0018","90","","97.548","0.004","90","","1137.2","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H28 F N O3 S -","- C23 H28 F N O3 S -","- C46 H56 F2 N2 O6 S2 -","2","1","","Li, Xiang; Li, Ya; Shang, Huaqi","A diastereoselective Mannich-type reaction of α-fluorinated carboxylate esters: synthesis of β-amino acids containing α-quaternary fluorinated carbon centers.","Organic & biomolecular chemistry","2016","14","27","6457","6462","10.1039/c6ob01084a","","","0.71073","MoKα","","0.0586","0.0511","","","0.1168","0.1222","","","","","","1.026","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155147","9.6078","0.0018","18.11","0.004","21.537","0.004","90","","90","","90","","3747.4","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 F N O3 S -","- C17 H26 F N O3 S -","- C136 H208 F8 N8 O24 S8 -","8","2","","Li, Xiang; Li, Ya; Shang, Huaqi","A diastereoselective Mannich-type reaction of α-fluorinated carboxylate esters: synthesis of β-amino acids containing α-quaternary fluorinated carbon centers.","Organic & biomolecular chemistry","2016","14","27","6457","6462","10.1039/c6ob01084a","","","0.71073","MoKα","","0.0808","0.0503","","","0.1103","0.1238","","","","","","0.993","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155148","9.7273","0.0011","13.2654","0.0014","15.7765","0.0015","90","","97.263","0.004","90","","2019.4","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 S -","- C22 H21 N O5 S -","- C88 H84 N4 O20 S4 -","4","1","","Ramachary, Dhevalapally B.; Krishna, Patoju M.; Reddy, T. Prabhakar","Stereoselective synthesis of cyclopentanone-fused benzosultams through Tomita zipper cyclization.","Organic & biomolecular chemistry","2016","14","27","6413","6416","10.1039/c6ob01096b","","","0.71073","MoKα","","0.069","0.0571","","","0.1463","0.1538","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155149","10.5258","0.0009","11.7582","0.001","14.4254","0.0012","90","","90","","90","","1785.4","0.3","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Cl O3 -","- C24 H15 Cl O3 -","- C96 H60 Cl4 O12 -","4","1","","Jiang, Yu; Fu, Jun-Hao; Li, Tian-Ze; Sha, Feng; Wu, Xin-Yan","Enantioselective direct vinylogous aldol-cyclization cascade reaction between β,γ-unsaturated amides and o-quinones.","Organic & biomolecular chemistry","2016","14","27","6435","6441","10.1039/c6ob00893c","","","0.71073","MoKα","","0.0397","0.0349","","","0.0851","0.0885","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155150","10.9419","0.0006","24.477","0.0012","11.0478","0.0009","90","","118.723","0.0016","90","","2594.8","0.3","90","2","90","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H26 N4 O7 Ru -","- C28 H26 N4 O7 Ru -","- C112 H104 N16 O28 Ru4 -","4","1","","Yoshida, Ryota; Isozaki, Katsuhiro; Yokoi, Tomoya; Yasuda, Nobuhiro; Sadakane, Koichiro; Iwamoto, Takahiro; Takaya, Hikaru; Nakamura, Masaharu","ONO-pincer ruthenium complex-bound norvaline for efficient catalytic oxidation of methoxybenzenes with hydrogen peroxide.","Organic & biomolecular chemistry","2016","14","31","7468","7479","10.1039/c6ob00969g","","","0.78305","Synchrotron","","0.0612","0.0412","","","0.0848","0.1032","","","","","","1.091","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155151","6.49177","0.00015","15.0859","0.0003","7.43648","0.00019","90","","104.76","0.002","90","","704.25","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2?-N,4?-C-(Aminosulfonylmethylene)thymidine","","- C11 H17 N3 O8 S -","- C11 H17 N3 O8 S -","- C22 H34 N6 O16 S2 -","2","1","","Mitsuoka, Yasunori; Aoyama, Hiroshi; Kugimiya, Akira; Fujimura, Yuko; Yamamoto, Tsuyoshi; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Hari, Yoshiyuki; Obika, Satoshi","Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure.","Organic & biomolecular chemistry","2016","14","27","6531","6538","10.1039/c6ob01051b","","","1.54187","CuKα","","0.0287","0.0272","","","0.0705","0.0723","","","","","","1.071","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155152","6.4286","0.0003","7.452","0.0003","11.707","0.0005","89.263","0.002","78.416","0.002","84.742","0.002","547.09","0.04","230","2","230","2","","","","","","","","5","P -1","-P 1","2","compound 13; JMS-631-053","7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione","","- C13 H8 N2 O2 S -","- C13 H8 N2 O2 S -","- C26 H16 N4 O4 S2 -","2","1","","Salamoun, Joseph M.; McQueeney, Kelley E.; Patil, Kalyani; Geib, Steven J.; Sharlow, Elizabeth R.; Lazo, John S.; Wipf, Peter","Photooxygenation of an amino-thienopyridone yields a more potent PTP4A3 inhibitor.","Organic & biomolecular chemistry","2016","14","27","6398","6402","10.1039/c6ob00946h","","","1.54178","CuKα","","0.0468","0.0424","","","0.1274","0.1306","","","","","","1.479","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155153","8.291","0.005","10.918","0.005","22.462","0.005","90","0.005","90","0.005","90","0.005","2033.3","1.6","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-tert-butyl 2-oxo-5-((R)-3-oxo-1-phenyl-3-(pyridin-2-yl)propyl)-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Wang, Zhen-Hua; Wu, Zhi-Jun; Yue, Deng-Feng; You, Yong; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Enantioselective synthesis of chiral α,β-unsaturated γ-substituted butyrolactams by organocatalyzed direct asymmetric vinylogous Michael addition of α,β-unsaturated γ-butyrolactam to 2-enoylpyridines.","Organic & biomolecular chemistry","2016","14","27","6568","6576","10.1039/c6ob01191h","","","1.54184","CuKα","","0.0552","0.0454","","","0.1149","0.1357","","","","","","1.087","","","","has coordinates,has disorder","185640","2020-10-21","18:00:00",""
"7155154","5.891","0.0005","7.7688","0.0006","16.658","0.0014","84.298","0.006","82.177","0.007","84.893","0.006","749.33","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H10 F3 N O2 -","- C19 H10 F3 N O2 -","- C38 H20 F6 N2 O4 -","2","1","","Mishra, Kalpana; Pandey, Ashok Kumar; Singh, Jay Bahadur; Singh, Radhey M.","Metal free TBHP-promoted intramolecular carbonylation of arenes via radical cross-dehydrogenative coupling: synthesis of indenoquinolinones, 4-azafluorenones and fluorenones.","Organic & biomolecular chemistry","2016","14","26","6328","6336","10.1039/c6ob00998k","","","0.71073","MoKα","","0.1308","0.0734","","","0.1927","0.239","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155155","11.908","0.002","12.416","0.003","13.154","0.003","90","","90","","90","","1944.8","0.7","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O3 S -","- C24 H19 N O3 S -","- C96 H76 N4 O12 S4 -","4","1","","Liang, Zhi-Qin; Wang, Dong-Ling; Zhang, Chun-Lin; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of saccharine-derived dihydropyridinones with cis-selectivity.","Organic & biomolecular chemistry","2016","14","27","6422","6425","10.1039/c6ob01040g","","","0.71073","MoKα","","0.037","0.0357","","","0.0826","0.0838","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155156","12.1612","0.0018","12.2372","0.0019","14.9998","0.002","90","","111.703","0.004","90","","2074","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Ramachary, Dhevalapally B.; Prabhakar Reddy, T.; Suresh Kumar, A.","Organocatalytic azomethine imine-olefin click reaction: high-yielding stereoselective synthesis of spiroindane-1,3-dione-pyrazolidinones.","Organic & biomolecular chemistry","2016","14","27","6517","6522","10.1039/c6ob01009a","","","0.71073","MoKα","","0.0799","0.0538","","","0.131","0.142","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155157","4.9002","0.0003","16.6369","0.0009","25.4887","0.0015","90","","90","","90","","2077.9","0.2","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N4 O2 S -","- C24 H20 N4 O2 S -","- C96 H80 N16 O8 S4 -","4","1","","Wang, Yanxin J.; Szantai-Kis, D Miklos; Petersson, E. James","Chemoselective modifications for the traceless ligation of thioamide-containing peptides and proteins.","Organic & biomolecular chemistry","2016","14","26","6262","6269","10.1039/c6ob01020b","","","0.71073","MoKα","","0.0416","0.033","","","0.0693","0.0722","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155158","11.709","0.006","17.325","0.01","17.761","0.01","105.979","0.008","103.227","0.009","99.347","0.009","3273","3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N5 S Si -","- C30 H39 N5 S Si -","- C120 H156 N20 S4 Si4 -","4","2","","Wang, Baogang; Cui, Xiaoyan; Zhang, Zhiqiang; Chai, Xiaoyun; Ding, Hao; Wu, Qiuye; Guo, Zhongwu; Wang, Ting","A six-membered-ring incorporated Si-rhodamine for imaging of copper(ii) in lysosomes.","Organic & biomolecular chemistry","2016","14","28","6720","6728","10.1039/c6ob00894a","","","0.71073","MoKα","","0.1954","0.153","","","0.3885","0.428","","","","","","1.475","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155159","7.49844","0.00012","10.97341","0.00019","16.2847","0.0003","90","","90","","90","","1339.96","0.04","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Huang, David; Schuppe, Alexander W.; Liang, Michael Z.; Newhouse, Timothy R.","Scalable procedure for the fragmentation of hydroperoxides mediated by copper and iron tetrafluoroborate salts.","Organic & biomolecular chemistry","2016","14","26","6197","6200","10.1039/c6ob00941g","","","1.54184","CuKα","","0.0252","0.0245","","","0.0626","0.0632","","","","","","1.058","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155160","12.1992","0.0004","9.7061","0.0003","13.4162","0.0004","90","","98.061","0.003","90","","1572.87","0.09","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2-(2-fluoro-4-methyl-5-(thiophen-3-yl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione","","- C16 H15 B F N O4 S -","- C16 H15 B F N O4 S -","- C64 H60 B4 F4 N4 O16 S4 -","4","1","","Close, Adam J.; Kemmitt, Paul; Mark Roe, S.; Spencer, John","Regioselective routes to orthogonally-substituted aromatic MIDA boronates.","Organic & biomolecular chemistry","2016","14","28","6751","6756","10.1039/c6ob01141a","","x-ray","1.54184","CuKα","","0.0755","0.0645","","","0.1751","0.1846","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155161","7.2445","0.0003","10.6254","0.0005","12.411","0.0006","90","","90.957","0.005","90","","955.21","0.08","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(5-acetamido-2-bromophenyl)boronic acid","","- C8 H9 B Br N O3 -","- C8 H9 B Br N O3 -","- C32 H36 B4 Br4 N4 O12 -","4","1","","Close, Adam J.; Kemmitt, Paul; Mark Roe, S.; Spencer, John","Regioselective routes to orthogonally-substituted aromatic MIDA boronates.","Organic & biomolecular chemistry","2016","14","28","6751","6756","10.1039/c6ob01141a","","x-ray","1.54184","CuKα","","0.0493","0.0432","","","0.1098","0.1175","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155162","11.2328","0.0004","8.8504","0.0002","13.6957","0.0004","90","","99.998","0.002","90","","1340.88","0.07","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","5-bromo-2-fluoro-4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzaldehyde","","- C12 H10 B Br F N O5 -","- C12 H10 B Br F N O5 -","- C48 H40 B4 Br4 F4 N4 O20 -","4","1","","Close, Adam J.; Kemmitt, Paul; Mark Roe, S.; Spencer, John","Regioselective routes to orthogonally-substituted aromatic MIDA boronates.","Organic & biomolecular chemistry","2016","14","28","6751","6756","10.1039/c6ob01141a","","x-ray","0.71073","MoKα","","0.047","0.0371","","","0.1018","0.1152","","","","","","1.112","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155163","10.4496","0.0003","15.6045","0.0005","19.2722","0.0006","104.775","0.002","100.93","0.002","98.868","0.002","2914.84","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Rhodium,chloro-(1,2,3,4,5-pentamethylcyclopentadienyl)phenyl(triphenylphosphine) complex","","- C34 H35 Cl P Rh -","- C34 H35 Cl P Rh -","- C136 H140 Cl4 P4 Rh4 -","4","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.111","0.0611","","","0.1183","0.1373","","","","","","1","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155164","10.4383","0.0002","15.6767","0.0004","19.2505","0.0005","104.905","0.002","100.833","0.001","98.753","0.001","2922.39","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Rhodium,bromo-(1,2,3,4,5-pentamethylcyclopentadienyl)phenyl(triphenylphosphine) complex","","- C34 H35 Br P Rh -","- C34 H35 Br P Rh -","- C136 H140 Br4 P4 Rh4 -","4","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.1487","0.0825","","","0.2105","0.2502","","","","","","1.003","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155165","8.5942","0.0002","16.888","0.0004","19.6492","0.0004","90","","91.809","0.001","90","","2850.44","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rhodium,dichloro-(1,2,3,4,5-pentamethylcyclopentadienyl)(triphenylphosphine) complex","","- C29 H32 Cl4 P Rh -","- C29 H32 Cl4 P Rh -","- C116 H128 Cl16 P4 Rh4 -","4","1","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.0559","0.0337","","","0.0657","0.075","","","","","","1.001","","","","has coordinates","185660","2020-10-21","18:00:00",""
"7155166","9.7693","0.0004","16.4783","0.0007","19.4329","0.0007","90","","90","","90","","3128.3","0.2","296","2","296","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","2-(4-methoxyphenyl)-2-phenyl-, 1-ethyl hydrazinecarboxylic acid ester","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C128 H144 N16 O24 -","8","2","","Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu","Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.","Organic & biomolecular chemistry","2016","14","28","6821","6825","10.1039/c6ob00719h","","","0.71073","MoKα","","0.1627","0.0681","","","0.1709","0.2424","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155167","23.463","0.005","12.095","0.002","20.499","0.005","90","","96.456","0.007","90","","5780","2","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 N2 O2 -","- C36 H34 N2 O2 -","- C288 H272 N16 O16 -","8","1","","Li, Can; Zhang, Hong-Hao; Fan, Tao; Shen, Yang; Wu, Qiong; Shi, Feng","Brønsted acid-catalyzed regioselective reactions of 2-indolylmethanols with cyclic enaminone and anhydride leading to C3-functionalized indole derivatives.","Organic & biomolecular chemistry","2016","14","29","6932","6936","10.1039/c6ob01282e","","","0.71073","MoKα","","0.1521","0.0784","","","0.2295","0.2948","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155168","9.861","0.005","10.455","0.005","15.398","0.008","89.66","0.009","76.844","0.009","63.337","0.008","1373","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 N O3 -","- C34 H30 N O3 -","- C68 H60 N2 O6 -","2","1","","Li, Can; Zhang, Hong-Hao; Fan, Tao; Shen, Yang; Wu, Qiong; Shi, Feng","Brønsted acid-catalyzed regioselective reactions of 2-indolylmethanols with cyclic enaminone and anhydride leading to C3-functionalized indole derivatives.","Organic & biomolecular chemistry","2016","14","29","6932","6936","10.1039/c6ob01282e","","","0.71073","MoKα","","0.1495","0.0805","","","0.2057","0.2548","","","","","","0.959","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155169","9.8932","0.0013","15.009","0.002","21.27","0.003","90","","90","","90","","3158.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F3 N S -","- C17 H16 F3 N S -","- C136 H128 F24 N8 S8 -","8","2","","Zhou, Ji; Zhang, Qian-Fan; Zhao, Wei-Hao; Jiang, Guo-Fang","Chiral phosphoric acid-catalyzed asymmetric transfer hydrogenation of 3-trifluoromethylthioquinolines.","Organic & biomolecular chemistry","2016","14","29","6937","6941","10.1039/c6ob01176d","","","0.71073","MoKα","","0.072","0.0539","","","0.1106","0.1186","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155170","7.6135","0.0008","13.282","0.002","18.5374","0.0011","90","","90","","90","","1874.5","0.4","291.89","0.1","291.89","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-benzoyl-1-phenyl-1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinolin-2(3H)-one","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","He, Liwenze; Liu, Lin; Han, Runfeng; Zhang, Weiwei; Xie, Xingang; She, Xuegong","Thermal 1,3-dipolar cycloaddition reaction of azomethine imines with active esters.","Organic & biomolecular chemistry","2016","14","28","6757","6761","10.1039/c6ob01095d","","","0.71073","MoKα","","0.1492","0.064","","","0.0989","0.1357","","","","","","0.975","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155171","8.4952","0.0002","9.1213","0.0002","14.963","0.0003","90","","90","","90","","1159.44","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O S2 -","- C11 H16 O S2 -","- C44 H64 O4 S8 -","4","1","","Diebler, J.; Spannenberg, A.; Werner, T.","Atom economical synthesis of di- and trithiocarbonates by the lithium tert-butoxide catalyzed addition of carbon disulfide to epoxides and thiiranes.","Organic & biomolecular chemistry","2016","14","31","7480","7489","10.1039/c6ob01081d","","","0.71073","MoKα","","0.0245","0.0235","","","0.0625","0.0635","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155172","15.239","0.004","5.9523","0.0015","16.588","0.004","90","","109.134","0.003","90","","1421.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 5a","","","- C14 H16 N4 O S -","- C14 H16 N4 O S -","- C56 H64 N16 O4 S4 -","4","1","","Boga, Carla; Cino, Silvia; Micheletti, Gabriele; Padovan, Daniele; Prati, Luca; Mazzanti, Andrea; Zanna, Nicola","New azo-decorated N-pyrrolidinylthiazoles: synthesis, properties and an unexpected remote substituent effect transmission.","Organic & biomolecular chemistry","2016","14","29","7061","7068","10.1039/c6ob00994h","","","0.71073","MoKα","","0.0494","0.0393","","","0.1039","0.1124","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155173","6.0819","0.0003","32.2686","0.0017","7.3498","0.0004","90","","109.852","0.002","90","","1356.71","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 3a","","","- C13 H13 N5 O2 S -","- C13 H13 N5 O2 S -","- C52 H52 N20 O8 S4 -","4","1","","Boga, Carla; Cino, Silvia; Micheletti, Gabriele; Padovan, Daniele; Prati, Luca; Mazzanti, Andrea; Zanna, Nicola","New azo-decorated N-pyrrolidinylthiazoles: synthesis, properties and an unexpected remote substituent effect transmission.","Organic & biomolecular chemistry","2016","14","29","7061","7068","10.1039/c6ob00994h","","","0.71073","MoKα","","0.0477","0.0422","","","0.1223","0.1335","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155174","8.9502","0.0006","9.1881","0.0005","11.6731","0.0008","83.963","0.006","70.783","0.005","77.642","0.005","884.82","0.1","98","","98","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H23 N -","- C24 H23 N -","- C48 H46 N2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71075","MoKα","","0.0462","0.041","","","0.1063","0.1105","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155175","11.461","0.003","18.171","0.005","7.917","0.002","90","","106.77","0.004","90","","1578.7","0.7","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","2","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71075","MoKα","","0.0341","0.0328","","","0.0803","0.0816","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155176","6.819","0.0012","8.4731","0.0015","17.387","0.003","91.13","0.004","90.978","0.005","96.993","0.004","996.7","0.3","98","","98","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C52 H52 N4 O2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71075","MoKα","","0.0489","0.0448","","","0.1127","0.1168","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155177","9.059","0.002","9.9601","0.0019","11.1789","0.0018","114.934","0.008","101.127","0.013","92.311","0.014","889","0.3","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","(4aR^*^,9aR^*^)-4a,9-diallyl-3-phenyl-4,4a,9,9a-tetrahydro-[1,2]oxazino [6,5-b]indole","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C44 H44 N4 O2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71073","MoKα","","0.0476","0.0438","","","0.0907","0.0931","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155178","9.1842","0.0015","10.542","0.002","11.953","0.002","84.992","0.011","72.078","0.011","74.256","0.011","1059.8","0.3","98","","98","","","","","","","","","5","P -1","-P 1","2","","(4aR,9aR)-6-bromo-4a-ethyl-9-(2-methylbenzyl)-3-phenyl-4,4a,9,9a-tetrahydro-[1,2]oxazino[6,5-b]indole","","- C26 H25 Br N2 O -","- C26 H25 Br N2 O -","- C52 H50 Br2 N4 O2 -","2","1","","Herrera, Lizzi; Stephens, David E.; D'Avila, Abigail; George, Kathryn G.; Arman, Hadi; Zhang, Yu; Perry, George; Lleonart, Ricardo; Larionov, Oleg V.; Fernández, Patricia L","Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles.","Organic & biomolecular chemistry","2016","14","29","7053","7060","10.1039/c6ob01149g","","","0.71073","MoKα","","0.0416","0.0377","","","0.0867","0.0885","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155179","8.2558","0.0006","10.1328","0.0007","13.9082","0.0011","77.492","0.006","79.13","0.006","85.572","0.006","1114.68","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N4 O3 S -","- C26 H22 N4 O3 S -","- C52 H44 N8 O6 S2 -","2","1","","Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang","Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.","Organic & biomolecular chemistry","2016","14","29","7114","7118","10.1039/c6ob01247g","","","0.71073","MoKα","","0.0746","0.0505","","","0.1265","0.1446","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155180","11.8786","0.0008","14.6539","0.0007","14.7921","0.001","90","","112.989","0.008","90","","2370.3","0.3","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 B F N4 O3 S -","- C26 H20 B F N4 O3 S -","- C104 H80 B4 F4 N16 O12 S4 -","4","1","","Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang","Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.","Organic & biomolecular chemistry","2016","14","29","7114","7118","10.1039/c6ob01247g","","","0.71073","MoKα","","0.0566","0.0399","","","0.0945","0.1057","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155181","33.094","0.003","9.7382","0.0007","15.8855","0.0011","90","","96.54","0.007","90","","5086.2","0.7","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N4 O4 S -","- C26 H26 N4 O4 S -","- C208 H208 N32 O32 S8 -","8","1","","Ding, Hualong; Peng, Zhixing; Wang, Jinjin; Lu, Ping; Wang, Yanguang","Preparation of 3-azoindoles and 3-hydrazonoindolin-2-imines as well as their applications as NNO pincer ligands for boron.","Organic & biomolecular chemistry","2016","14","29","7114","7118","10.1039/c6ob01247g","","","0.71073","MoKα","","0.0972","0.0531","","","0.1287","0.1563","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155182","10.6347","0.0007","5.7454","0.0004","25.1891","0.0015","90","","94.578","0.002","90","","1534.16","0.17","293","2","293","2","","","","","","","man made","5","P 1 21 1","P 2yb","4","no","Dimethyl-2-(1-(4-bromophenyl)allyl)-2-fluoromalonate","","- C14 H14 Br F O4 -","- C14 H14 Br F O4 -","- C56 H56 Br4 F4 O16 -","4","2","","Zhang, Hongbo; Chen, Jiteng; Zhao, Xiao-Ming","Enantioselective synthesis of fluorinated branched allylic compounds via Ir-catalyzed allylations of functionalized fluorinated methylene derivatives.","Organic & biomolecular chemistry","2016","14","30","7183","7186","10.1039/c6ob01246a","","","1.54178","CuKα","","0.0545","0.0519","","","0.1461","0.1493","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155183","12.5012","0.0006","16.1346","0.0007","7.6541","0.0004","90","","106.967","0.002","90","","1476.65","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methylbenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C64 H72 N8 O4 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0947","0.0561","","","0.1133","0.1272","","","","","","1.092","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155184","10.0466","0.0004","7.7834","0.0003","22.9774","0.001","90","","93.92","0.002","90","","1792.55","0.13","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(piperidin-1-yl)-5-(2,4,5-trimethoxybenzylidene)thiazol-4(5H)-one","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C72 H88 N8 O16 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0614","0.042","","","0.0976","0.1066","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155185","7.303","0.003","16.637","0.005","12.598","0.005","90","","97.725","0.013","90","","1516.8","1","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(3-hydroxy-4-methoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O3 S -","- C16 H18 N2 O3 S -","- C64 H72 N8 O12 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0727","0.0447","","","0.0931","0.1042","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155186","12.7194","0.0004","8.0294","0.0003","16.4422","0.0006","90","","105.304","0.001","90","","1619.68","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-(4-(dimethylamino)benzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0559","0.0438","","","0.1097","0.1167","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155187","8.5748","0.0003","16.5115","0.0005","10.8532","0.0004","90","","100.922","0.001","90","","1508.79","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-(4-methoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0419","0.0333","","","0.0799","0.0847","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155188","14.6019","0.0006","15.8336","0.0005","7.5085","0.0003","90","","90.141","0.002","90","","1735.96","0.11","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-2-(piperidin-1-yl)-5-(4-propoxybenzylidene)thiazol-4(5H)-one","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.074","0.0472","","","0.109","0.1213","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155189","13.1879","0.0008","8.2959","0.0004","16.8693","0.001","90","","111.933","0.002","90","","1712.01","0.17","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(4-methoxy-2,3-dimethylbenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0573","0.041","","","0.1007","0.1101","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155190","19.808","0.002","19.648","0.002","7.5797","0.0008","90","","95.378","0.004","90","","2936.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-5-(2-methylbenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C128 H144 N16 O8 S8 -","8","2","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.1514","0.0635","","","0.1073","0.1341","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155191","6.9066","0.0006","10.3537","0.001","12.5514","0.0013","96.955","0.004","103.338","0.003","100.576","0.003","845.87","0.14","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","(Z)-5-(2,3-dimethoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C17 H20 N2 O3 S -","- C17 H20 N2 O3 S -","- C34 H40 N4 O6 S2 -","2","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.047","0.0389","","","0.1052","0.1122","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155192","8.3333","0.0006","16.8148","0.0012","10.7927","0.0008","90","","103.96","0.002","90","","1467.64","0.18","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-5-(benzo[d][1,3]dioxol-4-ylmethylene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.064","0.0403","","","0.0869","0.0959","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155193","19.3839","0.0006","7.788","0.0003","20.9133","0.0008","90","","90","","90","","3157.1","0.2","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Z)-5-(naphthalen-1-ylmethylene)-2-(piperidin-1-yl)thiazol-4(5H)-one","","- C19 H18 N2 O S -","- C19 H18 N2 O S -","- C152 H144 N16 O8 S8 -","8","1","","Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata","Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.","Organic & biomolecular chemistry","2016","14","34","8053","8063","10.1039/c6ob01257d","","","0.71073","MoKα","","0.0713","0.0436","","","0.0865","0.0956","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155194","7.958","0.003","9.449","0.003","19.866","0.006","90","","90","","90","","1493.8","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl F O3 -","- C18 H12 Cl F O3 -","- C72 H48 Cl4 F4 O12 -","4","1","","Sha, Wanxing; Zhang, Lijun; Zhang, Wenzhong; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Catalytic cascade aldol-cyclization of tertiary ketone enolates for enantioselective synthesis of keto-esters with a C-F quaternary stereogenic center.","Organic & biomolecular chemistry","2016","14","30","7295","7303","10.1039/c6ob01152g","","","0.71073","MoKα","","0.0787","0.0384","","","0.0688","0.0822","","","","","","0.995","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155195","4.7369","0.0004","24.686","0.002","12.2902","0.0013","90","","99.492","0.003","90","","1417.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C72 H48 N8 O8 -","4","1","","Üçüncü, Muhammed; Cantürk, Ceren; Karakuş, Erman; Zeybek, Hüseyin; Bozkaya, Uğur; Soydaş, Emine; Şahin, Ertan; Emrullahoğlu, Mustafa","A rare γ-pyranopyrazole skeleton: design, one-pot synthesis and computational study.","Organic & biomolecular chemistry","2016","14","31","7490","7494","10.1039/c6ob01099g","","","0.71073","MoKα","","0.112","0.0457","","","0.1014","0.1289","","","","","","0.998","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155196","11.82201","0.00013","19.9887","0.0002","23.1114","0.0003","90","","90","","90","","5461.38","0.11","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C240 H368 O24 -","8","2","","Liu, Hong-Xin; Chen, Kai; Yuan, Yao; Xu, Zhi-Fang; Tan, Hai-Bo; Qiu, Sheng-Xiang","Rhodomentones A and B, novel meroterpenoids with unique NMR characteristics from Rhodomyrtus tomentosa.","Organic & biomolecular chemistry","2016","14","30","7354","7360","10.1039/c6ob01215a","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.079","0.0812","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155197","8.9592","0.0004","13.9166","0.0006","14.1101","0.0006","90","","92.4338","0.0013","90","","1757.68","0.13","100","2","99.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O5 S -","- C18 H16 Br N O5 S -","- C72 H64 Br4 N4 O20 S4 -","4","1","","Cronin, Sarah A.; Gutiérrez Collar, Aarón; Gundala, Sivaji; Cornaggia, Claudio; Torrente, Esther; Manoni, Francesco; Botte, Astrid; Twamley, Brendan; Connon, Stephen J.","The first catalytic asymmetric cycloadditions of imines with an enolisable anhydride.","Organic & biomolecular chemistry","2016","14","29","6955","6959","10.1039/c6ob00048g","","x-ray","1.54178","CuKα","","0.0296","0.0288","","","0.0767","0.0773","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155198","10.5138","0.0001","14.5405","0.0002","19.6851","0.0003","90","","90","","90","","3009.38","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 N P -","- C38 H40 N P -","- C152 H160 N4 P4 -","4","1","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0348","0.0338","","","0.0942","0.095","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155199","10.6196","0.0001","22.1572","0.0002","26.8016","0.0003","90","","90","","90","","6306.43","0.11","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 N P -","- C41 H40 N P -","- C328 H320 N8 P8 -","8","2","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0408","0.0393","","","0.1051","0.1066","","","","","","1.028","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155200","10.5997","0.0003","14.5202","0.0004","21.027","0.0006","90","","90","","90","","3236.26","0.16","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 N P -","- C41 H42 N P -","- C164 H168 N4 P4 -","4","1","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0382","0.0375","","","0.1033","0.1041","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155201","24.8942","0.0005","24.8942","0.0005","24.8942","0.0005","90","","90","","90","","15427.5","0.5","150","2","150","2","","","","","","","","4","F 41 3 2","F 4d 2 3","210","","","","- C72 H80 N12 O4 -","- C72 H79.9992 N12 O3.9996 -","- C576 H639.994 N96 O31.9968 -","8","0.0833333","","Petryk, M.; Szymkowiak, J.; Gierczyk, B.; Spólnik, G; Popenda, Ł; Janiak, A.; Kwit, M.","Chiral, triformylphenol-derived salen-type [4 + 6] organic cages.","Organic & biomolecular chemistry","2016","14","31","7495","7499","10.1039/c6ob01429a","","","1.54184","CuKα","","0.1114","0.1104","","","0.2882","0.2918","","","","","","1.431","","","","has coordinates","185653","2020-10-21","18:00:00",""
"7155202","9.2519","0.0011","9.9263","0.0012","18.4119","0.0019","90","","90","","90","","1690.9","0.3","125","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Barrios Antúnez, Diego-Javier; Greenhalgh, Mark D.; Fallan, Charlene; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective synthesis of 2,3-disubstituted trans-2,3-dihydrobenzofurans using a Brønsted base/thiourea bifunctional catalyst.","Organic & biomolecular chemistry","2016","14","30","7268","7274","10.1039/c6ob01326k","","","1.54187","CuKα","","0.0264","0.026","","","0.0704","0.0708","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155203","8.932","0.0015","6.9867","0.0012","27.957","0.005","90","","96.869","0.003","90","","1732.1","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Yuan, Xiaoqian; Wu, Xinxin; Dong, Shupeng; Wu, Guibing; Ye, Jinxing","Brønsted acid cocatalysis in photocatalytic intramolecular coupling of tertiary amines: efficient synthesis of 2-arylindols.","Organic & biomolecular chemistry","2016","14","31","7447","7450","10.1039/c6ob01239f","","","0.71073","MoKα","","0.0566","0.0475","","","0.1348","0.1442","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155204","9.246","0.004","21.733","0.01","8.69","0.004","90","","99.084","0.006","90","","1724.3","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Yuan, Xiaoqian; Wu, Xinxin; Dong, Shupeng; Wu, Guibing; Ye, Jinxing","Brønsted acid cocatalysis in photocatalytic intramolecular coupling of tertiary amines: efficient synthesis of 2-arylindols.","Organic & biomolecular chemistry","2016","14","31","7447","7450","10.1039/c6ob01239f","","","0.71073","MoKα","","0.0919","0.0553","","","0.1231","0.1342","","","","","","0.931","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155205","11.7409","0.0003","11.8595","0.0003","11.9319","0.0003","64.089","0.003","82.18","0.002","86.755","0.002","1480.49","0.08","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 O12 S -","- C32 H26 O12 S -","- C64 H52 O24 S2 -","2","1","","Zhao, Xia; Deng, Zhijie; Wei, Aoqi; Li, Boyang; Lu, Kui","Iodine-catalysed regioselective thiolation of flavonoids using sulfonyl hydrazides as sulfenylation reagents.","Organic & biomolecular chemistry","2016","14","30","7304","7312","10.1039/c6ob01006g","","x-ray","1.54184","CuKα","","0.046","0.0414","","","0.1071","0.1125","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155206","7.0964","0.0005","11.9998","0.0008","14.4434","0.0011","90","","98.551","0.006","90","","1216.26","0.15","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,8-dimethyl-11H-benzo[4,5]imidazo[1,2-a]indol-11-one","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Mai, Shaoyu; Zhao, Yingwei; Song, Qiuling","Chemoselective acylation of benzimidazoles with phenylacetic acids under different Cu catalysts to give fused five-membered N-heterocycles or tertiary amides.","Organic & biomolecular chemistry","2016","14","37","8685","8690","10.1039/c6ob01167e","","","0.71073","MoKα","","0.0793","0.0528","","","0.1149","0.1286","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155207","7.106","0.006","6.266","0.006","22.6","0.02","90","","96.873","0.014","90","","999.1","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 F N O2 -","- C11 H10 F N O2 -","- C44 H40 F4 N4 O8 -","4","1","","Zhu, Guohao; Qiu, Shineng; Xi, Yang; Ding, Yao; Zhang, Dongming; Zhang, Rong; He, Guangke; Zhu, Hongjun","(IPr)CuF-catalyzed α-site regiocontrolled trans-hydrofluorination of ynamides.","Organic & biomolecular chemistry","2016","14","32","7746","7753","10.1039/c6ob01345g","","","0.71073","MoKα","","0.085","0.0654","","","0.2048","0.224","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155208","4.9191","0.0002","6.2146","0.0002","13.1151","0.0006","90","","95.211","0.002","90","","399.27","0.03","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","5-bromo-4-fluoro-2-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C14 H6 Br2 F2 N2 O6 -","2","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","x-ray","0.71073","MoKα","","0.0709","0.0658","","","0.1519","0.1575","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155209","10.6934","0.0004","9.7396","0.0003","7.4999","0.0002","90","","96.086","0.002","90","","776.71","0.04","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-bromo-2-fluoro-5-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C28 H12 Br4 F4 N4 O12 -","4","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","","0.71073","MoKα","","0.0347","0.0298","","","0.0758","0.0787","","","","","","1.101","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155210","4.7733","0.0002","14.6188","0.0008","11.7159","0.0007","90","","93.404","0.002","90","","816.09","0.07","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","3-bromo-6-fluoro-2-nitrobenzaldehyde","","- C7 H3 Br F N O3 -","- C7 H3 Br F N O3 -","- C28 H12 Br4 F4 N4 O12 -","4","1","","Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John","Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.","Organic & biomolecular chemistry","2016","14","35","8246","8252","10.1039/c6ob01394e","","x-ray","0.71073","MoKα","","0.0454","0.0308","","","0.0637","0.0674","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155211","7.5275","0.0014","13.374","0.003","15.278","0.003","90","","90","","90","","1538.1","0.5","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C68 H64 Br4 N4 O12 -","4","1","","Stark, Daniel G.; Williamson, Patrick; Gayner, Emma R.; Musolino, Stefania F.; Kerr, Ryan W. F.; Taylor, James E.; Slawin, Alexandra M. Z.; O'Riordan, Timothy J C; Macgregor, Stuart A.; Smith, Andrew D.","Isothiourea-catalysed enantioselective pyrrolizine synthesis: synthetic and computational studies.","Organic & biomolecular chemistry","2016","14","38","8957","8965","10.1039/c6ob01557c","","","0.71075","MoKα","","0.0449","0.0373","","","0.0723","0.074","","","","","","0.918","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155212","8.0275","0.0014","11.093","0.002","17.321","0.003","90","","90","","90","","1542.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cl N4 O -","- C16 H15 Cl N4 O -","- C64 H60 Cl4 N16 O4 -","4","1","","Chen, Long; Xing, Haotian; Zhang, Huaibin; Jiang, Zhong-Xing; Yang, Zhigang","Copper-catalyzed intermolecular chloroazidation of α,β-unsaturated amides.","Organic & biomolecular chemistry","2016","14","31","7463","7467","10.1039/c6ob01352j","","","0.71073","MoKα","","0.053","0.0404","","","0.0974","0.1061","","","","","","1.034","","","","has coordinates","185650","2020-10-21","18:00:00",""
"7155213","10.8827","0.0002","7.0798","0.0002","15.4121","0.0003","90","","100.53","0.0012","90","","1167.47","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H9 Br N4 -","- C12 H9 Br N4 -","- C48 H36 Br4 N16 -","4","2","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0621","0.0522","","","0.1052","0.1128","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155214","13.25","0.0007","4.9503","0.0003","15.2995","0.0008","90","","102.893","0.004","90","","978.22","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","0.78201","Synchrotron","","0.1039","0.0546","","","0.1233","0.1866","","","","","","1.153","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155215","13.262","0.005","5.685","0.002","25.48","0.009","90","","101.506","0.001","90","","1882.4","1.2","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Br N4 -","- C24 H17 Br N4 -","- C96 H68 Br4 N16 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0221","0.0215","","","0.0569","0.0575","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155216","18.4725","0.0003","8.3873","0.0001","19.5557","0.0004","90","","90","","90","","3029.85","0.09","93","2","93","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H45 Br Cl N5 O -","- C28 H45 Br Cl N5 O -","- C112 H180 Br4 Cl4 N20 O4 -","4","1","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.0436","0.0372","","","0.0987","0.1068","","","","","","1.047","","","","has coordinates","186486","2020-10-21","18:00:00",""
"7155217","11.2758","0.0002","13.2794","0.0002","14.0394","0.0003","65.8676","0.0007","83.1022","0.0009","65.9622","0.0007","1749.38","0.06","93","2","93","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H39 Br Cl N7 O0.5 -","- C40 H39 Br Cl N7 O0.5 -","- C80 H78 Br2 Cl2 N14 O -","2","2","","Haketa, Yohei; Tamura, Yuki; Yasuda, Nobuhiro; Maeda, Hiromitsu","Dipyrrolylpyrimidines as anion-responsive π-electronic systems.","Organic & biomolecular chemistry","2016","14","34","8035","8038","10.1039/c6ob01466f","","","1.54187","CuKα","","0.1079","0.0716","","","0.1647","0.2119","","","","","","1.115","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155218","14.189","0.003","10.9261","0.0018","14.233","0.003","90","","93.14","0.005","90","","2203.2","0.8","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23.5 H16.5 Br Cl1.5 N O3 S -","- C23.5 H16.5 Br Cl1.5 N O3 S -","- C94 H66 Br4 Cl6 N4 O12 S4 -","4","2","","Stark, Daniel G.; Young, Claire M.; O'Riordan, Timothy J C; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective isothiourea-catalysed trans-dihydropyridinone synthesis using saccharin-derived ketimines: scope and limitations.","Organic & biomolecular chemistry","2016","14","34","8068","8073","10.1039/c6ob01473a","","","0.71075","MoKα","","0.0565","0.0465","","","0.1089","0.1125","","","","","","0.918","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155219","5.3545","0.0014","11.656","0.003","15.876","0.004","90","","90","","90","","990.9","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Br Cl O -","- C9 H10 Br Cl O -","- C36 H40 Br4 Cl4 O4 -","4","1","","Huang, Wei-Sheng; Chen, Li; Zheng, Zhan-Jiang; Yang, Ke-Fang; Xu, Zheng; Cui, Yu-Ming; Xu, Li-Wen","Catalytic asymmetric bromochlorination of aromatic allylic alcohols promoted by multifunctional Schiff base ligands.","Organic & biomolecular chemistry","2016","14","33","7927","7932","10.1039/c6ob01306f","","","0.71073","MoKα","","0.0316","0.0279","","","0.0666","0.0679","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155220","9.621","0.003","14.256","0.005","8.097","0.003","90","","111.224","0.005","90","","1035.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C44 H40 N4 O8 S4 -","2","0.5","","Fang, Xinxin; Zhang, Kaifan; Yao, Hequan; Huang, Yue","Cu(i)-Catalyzed oxidative homo-coupling of thiazoline-4-carboxylates: synthesis of 4,4'-bithiazoline derivatives.","Organic & biomolecular chemistry","2016","14","34","8030","8034","10.1039/c6ob01471b","","","0.71073","MoKα","","0.0396","0.0324","","","0.0823","0.0867","","","","","","1.1","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155221","11.3995","0.0011","15.4075","0.0015","12.3398","0.0012","90","","97.817","0.002","90","","2147.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C88 H80 N8 O16 S8 -","4","1","","Fang, Xinxin; Zhang, Kaifan; Yao, Hequan; Huang, Yue","Cu(i)-Catalyzed oxidative homo-coupling of thiazoline-4-carboxylates: synthesis of 4,4'-bithiazoline derivatives.","Organic & biomolecular chemistry","2016","14","34","8030","8034","10.1039/c6ob01471b","","","0.71073","MoKα","","0.0467","0.0385","","","0.0974","0.1058","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155222","7.188","0.0002","11.2966","0.0003","15.7477","0.0003","84.309","0.002","86.703","0.002","73.529","0.002","1219.62","0.05","150","0.7","150","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 B Cl O2 -","- C14 H10 B Cl O2 -","- C56 H40 B4 Cl4 O8 -","4","2","","Benhamou, Laure; Walker, Daniel W.; Bučar, Dejan-Krešimir; Aliev, Abil E.; Sheppard, Tom D.","Synthesis of substituted benzooxaborinin-1-ols via palladium-catalysed cyclisation of alkenyl- and alkynyl-boronic acids.","Organic & biomolecular chemistry","2016","14","34","8039","8043","10.1039/c6ob01419d","","x-ray","1.54184","CuKα","","0.0309","0.029","","","0.0776","0.0793","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155223","9.403","0.0003","10.4777","0.0004","36.3472","0.0012","90","","90","","90","","3581","0.2","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 Cl N O4 S Sn -","- C33 H48 Cl N O4 S Sn -","- C132 H192 Cl4 N4 O16 S4 Sn4 -","4","1","","Kamimura, Akio; Tanaka, Toshiyuki; So, Masahiro; Itaya, Tomoyuki; Matsuda, Kantaro; Kawamoto, Takuji","A regioselective double Stille coupling reaction of bicyclic stannolanes.","Organic & biomolecular chemistry","2016","14","34","8109","8122","10.1039/c6ob01018k","","","0.71075","MoKα","","","0.0308","","","","0.0812","","","","","","1.05","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155224","12.596","0.004","5.504","0.0016","21.414","0.007","90","","100.229","0.004","90","","1461","0.8","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Wei, Simin; Feng, Xiangqing; Du, Haifeng","A metal-free hydrogenation of 3-substituted 2H-1,4-benzoxazines.","Organic & biomolecular chemistry","2016","14","34","8026","8029","10.1039/c6ob01556e","","","0.71073","MoKα","","0.0596","0.0545","","","0.1216","0.1251","","","","","","1.139","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155225","8.7998","0.0004","13.332","0.0006","12.0001","0.0006","90","","110.314","0.006","90","","1320.28","0.12","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","1","","Evans, Nicholas H.; Gell, Charles E.; Peach, Michael J. G.","The synthesis of a pyridine-N-oxide isophthalamide rotaxane utilizing supplementary amide hydrogen bond interactions.","Organic & biomolecular chemistry","2016","14","33","7972","7981","10.1039/c6ob01435f","","x-ray","1.54184","CuKα","","0.0564","0.0434","","","0.0972","0.104","","","","","","1.059","","","","has coordinates","186488","2020-10-21","18:00:00",""
"7155226","15.0431","0.0003","10.80301","0.00018","29.7705","0.0005","90","","96.8269","0.0017","90","","4803.72","0.15","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H62 Cl3 N5 O8 -","- C48 H62 Cl3 N5 O8 -","- C192 H248 Cl12 N20 O32 -","4","1","","Evans, Nicholas H.; Gell, Charles E.; Peach, Michael J. G.","The synthesis of a pyridine-N-oxide isophthalamide rotaxane utilizing supplementary amide hydrogen bond interactions.","Organic & biomolecular chemistry","2016","14","33","7972","7981","10.1039/c6ob01435f","","x-ray","1.54184","CuKα","","0.0776","0.0692","","","0.2014","0.2091","","","","","","1.074","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155227","8.4388","0.0003","8.4196","0.0002","21.5892","0.0006","90","","99.574","0.002","90","","1512.58","0.08","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 B Br6.13 Cl0.87 F2 N2 -","- C9 B Br6.1257 Cl0.8743 F2 N2 -","- C36 B4 Br24.5028 Cl3.4972 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0435","0.0277","","","0.0533","0.0566","","","","","","1.014","","","","has coordinates","185078","2020-10-21","18:00:00",""
"7155228","8.3531","0.0005","8.5259","0.0005","20.703","0.0015","90","","99.009","0.005","90","","1456.23","0.16","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 B Br4 Cl3 F2 N2 -","- C9 B Br4 Cl3 F2 N2 -","- C36 B4 Br16 Cl12 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0483","0.0297","","","0.0512","0.0548","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155229","8.775","0.002","9.17","0.003","9.71","0.003","98.378","0.017","106.86","0.02","105.71","0.02","698.2","0.4","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C9 B Br2 Cl5 F2 N2 -","- C9 B Br2 Cl5 F2 N2 -","- C18 B2 Br4 Cl10 F4 N4 -","2","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0443","0.0348","","","0.0822","0.0864","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155230","12.0397","0.0003","9.5581","0.0002","21.472","0.0005","90","","105.766","0.001","90","","2377.97","0.1","90","0.5","90","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 B Cl4 F2 N2 -","- C27 H15 B Cl4 F2 N2 -","- C108 H60 B4 Cl16 F8 N8 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0656","0.0386","","","0.0774","0.0861","","","","","","1.006","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155231","10.0519","0.0009","10.7177","0.0009","11.8528","0.001","102.04","0.004","91.199","0.004","114.33","0.004","1129.73","0.17","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C21 H9 B Cl4 F2 N2 S3 -","- C21 H9 B Cl4 F2 N2 S3 -","- C42 H18 B2 Cl8 F4 N4 S6 -","2","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.0497","0.0421","","","0.1253","0.1319","","","","","","1.071","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155232","26.1253","0.001","12.6428","0.0005","18.623","0.0007","90","","91.84","0.002","90","","6147.9","0.4","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 B Cl2 F2 N2 -","- C39 H25 B Cl2 F2 N2 -","- C312 H200 B8 Cl16 F16 N16 -","8","2","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","1.54184","CuKα","","0.0597","0.0435","","","0.1065","0.118","","","","","","1.013","","","","has coordinates,has disorder","185078","2020-10-21","18:00:00",""
"7155233","9.911","0.0002","24.3651","0.0005","12.2192","0.0003","90","","110.907","0.001","90","","2756.45","0.11","90","0.5","90","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H15 B Cl2 F2 N2 S5 -","- C29.005 H15 B Cl2 F2 N2 S5.005 -","- C116.02 H60 B4 Cl8 F8 N8 S20.02 -","4","1","","Zhao, Ning; Xuan, Sunting; Byrd, Brandon; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and regioselective functionalization of perhalogenated BODIPYs.","Organic & biomolecular chemistry","2016","14","26","6184","6188","10.1039/c6ob00935b","","","0.71073","MoKα","","0.1278","0.1135","","","0.2844","0.2958","","","","","","1.058","","","","has coordinates,has disorder","185078","2020-10-21","18:00:00",""
"7155234","14.6046","0.0011","18.958","0.0015","23.9068","0.0019","90","","90","","90","","6619.2","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 N3 O3 P -","- C37 H42 N3 O3 P -","- C296 H336 N24 O24 P8 -","8","2","","Yang, Bing; Ji, Xiaozhou; Xue, Yunsheng; Zhang, Haowei; Shen, Minxing; Jiang, Bo; Li, Guigen","Asymmetric aza-Morita-Baylis-Hillman reactions of chiral N-phosphonyl imines with acrylates via GAP chemistry/technology.","Organic & biomolecular chemistry","2016","14","25","6024","6035","10.1039/c6ob00847j","","","0.71073","MoKα","","0.2009","0.0649","","","0.0907","0.1088","","","","","","0.895","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155235","13.9411","0.0012","17.726","0.001","14.8278","0.001","90","","109.535","0.009","90","","3453.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H49 N3 O3 P -","- C33 H49 N3 O3 P -","- C132 H196 N12 O12 P4 -","4","2","","Yang, Bing; Ji, Xiaozhou; Xue, Yunsheng; Zhang, Haowei; Shen, Minxing; Jiang, Bo; Li, Guigen","Asymmetric aza-Morita-Baylis-Hillman reactions of chiral N-phosphonyl imines with acrylates via GAP chemistry/technology.","Organic & biomolecular chemistry","2016","14","25","6024","6035","10.1039/c6ob00847j","","","1.54178","CuKα","","0.1071","0.0858","","","0.2281","0.2522","","","","","","1.038","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155236","13.218","0.002","16.657","0.003","16.344","0.003","90","","92.527","0.003","90","","3595","1.1","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H32 Br N5 O3 -","- C43 H32 Br N5 O3 -","- C172 H128 Br4 N20 O12 -","4","2","","Xie, Jin; Xing, Xiao-Yu; Sha, Feng; Wu, Zhi-Yan; Wu, Xin-Yan","Enantioselective synthesis of spiro[indoline-3,4'-pyrano[2,3-c]pyrazole] derivatives via an organocatalytic asymmetric Michael/cyclization cascade reaction.","Organic & biomolecular chemistry","2016","14","35","8346","8355","10.1039/c6ob01256f","","","0.71073","MoKα","","0.1338","0.0474","","","0.0811","0.1057","","","","","","0.866","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155237","6.7242","0.0003","15.1813","0.0007","19.2667","0.001","90","","90","","90","","1966.79","0.16","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 -","- C20 H35 N O3 -","- C80 H140 N4 O12 -","4","1","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.0379","0.0337","","","0.0761","0.0784","","","","","","1.049","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155238","11.998","0.003","8.74","0.002","18.751","0.005","90","","104.393","0.006","90","","1904.6","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(14R,16R,E)-16-(tert-butyl)-14-methyl-1-oxa-8-azacyclohexadec-10-ene-2,9-dione","","- C19 H33 N O3 -","- C19 H33 N O3 -","- C76 H132 N4 O12 -","4","2","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.1626","0.0701","","","0.1336","0.1757","","","","","","0.987","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155239","5.615","0.003","10.654","0.005","35.955","0.017","90","","90","","90","","2150.9","1.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,14R,16S,E)-16-(tert-butyl)-3,8,14-trimethyl-1-oxa-8-azacyclohexadec-10-ene-2,9-dione","","- C21 H37 N O3 -","- C21 H37 N O3 -","- C84 H148 N4 O12 -","4","1","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.0617","0.0445","","","0.0607","0.0628","","","","","","1.618","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155240","10.866","0.005","5.196","0.002","18.617","0.01","90","","106.703","0.011","90","","1006.8","0.8","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,6S,7S,8R)-8-Butyl-7-((3,5-dinitrobenzoyl)oxymethyl)bicyclo[4.3.0]non-3-ene","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C42 H52 N4 O12 -","2","1","","Gallantree-Smith, Harrison C; Antonsen, Simen G.; Görbitz, Carl H; Hansen, Trond V.; Nolsøe, Jens M J; Stenstrøm, Yngve H","Total synthesis based on the originally claimed structure of mucosin.","Organic & biomolecular chemistry","2016","14","36","8433","8437","10.1039/c6ob01511e","","","0.71073","MoKα","","0.1009","0.0854","","","0.215","0.2246","","","","","","1.033","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155241","11.2287","0.0003","21.5577","0.0006","7.6682","0.0002","90","","90","","90","","1856.2","0.09","115","2","115","2","","","","","","","","2","P c a 21","P 2c -2ac","29","naphtho[1,2-i]pentahelicene","napthto[1,2-s]picene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","","0.71073","MoKα","","0.0385","0.0344","","","0.0842","0.0867","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155242","9.601","0.0012","14.5905","0.0018","20.173","0.003","82.894","0.002","81.824","0.002","77.999","0.002","2723.1","0.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","(2-aminobiphenyl)(xantphos)palladium(II) mesylate","","","- C55 H51 Cl6 N O4 P2 Pd S -","- C55 H51 Cl6 N O4 P2 Pd S -","- C110 H102 Cl12 N2 O8 P4 Pd2 S2 -","2","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","x-ray","0.71073","MoKα","","0.1022","0.0808","","","0.2234","0.2373","","","","","","1.06","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155243","9.8138","0.0001","22.8364","0.0003","9.0937","0.0001","90","","99.9067","0.0007","90","","2007.62","0.04","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-bis(trifluoromethyl)naphtho[1,2-g]chrysene","","- C28 H14 F6 -","- C28 H14 F6 -","- C112 H56 F24 -","4","1","","Ruch, Aaron A.; Handa, Sachin; Kong, Fanji; Nesterov, Vladimir N.; Pahls, Dale R.; Cundari, Thomas R.; Slaughter, LeGrande M","Competing amination and C-H arylation pathways in Pd/xantphos-catalyzed transformations of binaphthyl triflates: switchable routes to chiral amines and helicene derivatives.","Organic & biomolecular chemistry","2016","14","34","8123","8140","10.1039/c6ob01102k","","x-ray","0.71073","MoKα","","0.0527","0.0346","","","0.0752","0.0826","","","","","","1.011","","","","has coordinates","186482","2020-10-21","18:00:00",""
"7155244","18.6683","0.0005","10.1255","0.0002","18.9205","0.0013","90","","93.979","0.007","90","","3567.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl N2 O -","- C22 H19 Cl N2 O -","- C176 H152 Cl8 N16 O8 -","8","2","","Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Reid, Iain H.; Rundell, Christopher D.; Shannon, Jonathan; Tizzard, Graham J.","Reductive conjugate addition nitro-Mannich route for the stereoselective synthesis of 1,2,3,4-tetrahydroquinoxalines.","Organic & biomolecular chemistry","2016","14","35","8270","8277","10.1039/c6ob01530a","","","0.71075","MoKα","","0.0522","0.0386","","","0.0866","0.0924","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155245","4.6505","0.0005","13.4476","0.0013","16.1385","0.0016","90","","90","","90","","1009.27","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 O Se2 -","- C11 H8 O Se2 -","- C44 H32 O4 Se8 -","4","1","","Mondal, Santanu; Mugesh, Govindasamy","Biomimetic deiodination of thyroid hormones and iodothyronamines - a structure-activity relationship study.","Organic & biomolecular chemistry","2016","14","40","9490","9500","10.1039/c6ob01375a","","","0.71073","MoKα","","0.1161","0.0783","","","0.1945","0.2135","","","","","","1.208","","","","has coordinates","188306","2020-10-21","18:00:00",""
"7155246","12.201","0.004","6.3287","0.0016","19.477","0.005","90","","96.736","0.01","90","","1493.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O2 Se2 -","- C15 H17 N O2 Se2 -","- C60 H68 N4 O8 Se8 -","4","1","","Mondal, Santanu; Mugesh, Govindasamy","Biomimetic deiodination of thyroid hormones and iodothyronamines - a structure-activity relationship study.","Organic & biomolecular chemistry","2016","14","40","9490","9500","10.1039/c6ob01375a","","","0.71073","MoKα","","0.1199","0.0512","","","0.0816","0.1005","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155247","9.8351","0.0006","19.0381","0.0012","20.4995","0.0013","90","","90","","90","","3838.4","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl 1-((2R,3R)-4-methylene-5-oxo-3-phenyltetrahydrofuran-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C192 H144 N16 O32 -","8","1","","Singh, Dharmender; Devi, Nisha; Kumar, Vipin; Malakar, Chandi C.; Mehra, Saloni; Rattan, Sunita; Rawal, Ravindra K.; Singh, Virender","Natural product inspired design and synthesis of β-carboline and γ-lactone based molecular hybrids.","Organic & biomolecular chemistry","2016","14","34","8154","8166","10.1039/c6ob01216g","","","0.71073","MoKα","","0.0844","0.0652","","","0.1571","0.1646","","","","","","1.095","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155248","9.2919","0.0004","11.041","0.0005","19.247","0.001","90","","100.12","0.0016","90","","1943.86","0.16","304","","304","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H50 Cl3 N5 O8 -","- C30 H50 Cl3 N5 O8 -","- C60 H100 Cl6 N10 O16 -","2","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","0.71073","MoKα","","0.1096","0.0638","","","0.169","0.1975","","","","","","1.019","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155249","10.4185","0.0004","15.6536","0.0006","18.156","0.0008","90","","90","","90","","2961","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 N4 O9 -","- C27 H44 N4 O9 -","- C108 H176 N16 O36 -","4","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","1.54178","CuKα","","0.041","0.0351","","","0.0828","0.0857","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155250","10.7226","0.0016","10.6558","0.0017","21.682","0.003","90","","91.429","0.005","90","","2476.6","0.6","250","2","250.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H62 N6 O11 -","- C38 H62 N6 O11 -","- C76 H124 N12 O22 -","2","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","0.71073","MoKα","","0.1625","0.0696","","","0.1443","0.1673","","","","","","0.792","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155251","11.8249","0.0004","13.3798","0.0004","13.3981","0.0005","79.783","0.002","77.825","0.002","78.013","0.002","2007.04","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N4 O3 S -","- C19 H24 N4 O3 S -","- C76 H96 N16 O12 S4 -","4","2","","Huang, Qianwen; Zheng, Hanliang; Liu, Shuiyou; Kong, Lichun; Luo, Fang; Zhu, Gangguo","Direct access to 2-amino-5-azidomethylfurans through palladium-catalyzed azidative cycloisomerization of homoallenyl amides.","Organic & biomolecular chemistry","2016","14","36","8557","8563","10.1039/c6ob01491g","","","0.71073","MoKα","","0.068","0.0475","","","0.1226","0.1427","","","","","","1.02","","","","has coordinates","187188","2020-10-21","18:00:00",""
"7155252","26.518","0.014","6.018","0.003","18.911","0.008","90","","134.5","0.02","90","","2153","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 N3 O3 -","- C9 H13 N3 O3 -","- C72 H104 N24 O24 -","8","1","","Shao, Ying; Tong, Jingjing; Zhao, Yanwei; Zheng, Hao; Ma, Liang; Ma, Meihua; Wan, Xiaobing","[3 + 2] cycloaddition and subsequent oxidative dehydrogenation between alkenes and diazo compounds: a simple and direct approach to pyrazoles using TBAI/TBHP.","Organic & biomolecular chemistry","2016","14","36","8486","8492","10.1039/c6ob01522k","","","0.71073","MoKα","","0.1052","0.0656","","","0.1744","0.2175","","","","","","0.982","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155253","5.168","0.0005","10.0269","0.0012","32.073","0.004","90","","90","","90","","1662","0.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Br N O4 S -","- C15 H20 Br N O4 S -","- C60 H80 Br4 N4 O16 S4 -","4","1","","Feng, Bo-Xu; Wang, Bin; Li, Xin","Asymmetric additions of thioglycolates and N-Boc aldimines catalyzed by a bifunctional tertiary-amine squaramide.","Organic & biomolecular chemistry","2016","14","39","9206","9209","10.1039/c6ob01645f","","","0.71073","MoKα","","0.0198","0.0186","","","0.0443","0.0444","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155254","10.4343","0.0004","14.6016","0.0005","13.8826","0.0004","90","","92.748","0.002","90","","2112.69","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br N O5 S -","- C24 H16 Br N O5 S -","- C96 H64 Br4 N4 O20 S4 -","4","1","","Janni, Manojkumar; Arora, Sahil; Peruncheralathan, S.","Double heteroannulation of S,N-acetals: a facile access to quinolone derivatives.","Organic & biomolecular chemistry","2016","14","37","8781","8788","10.1039/c6ob01568a","","","0.71073","MoKα","","0.1298","0.0527","","","0.1234","0.1559","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155255","5.2728","0.0002","25.33","0.0007","11.4784","0.0004","90","","99.154","0.002","90","","1513.53","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C84 H52 N4 O8 -","4","1","","Janni, Manojkumar; Arora, Sahil; Peruncheralathan, S.","Double heteroannulation of S,N-acetals: a facile access to quinolone derivatives.","Organic & biomolecular chemistry","2016","14","37","8781","8788","10.1039/c6ob01568a","","","0.71073","MoKα","","0.0683","0.0434","","","0.124","0.1494","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155256","7.4138","0.0004","22.8374","0.001","9.5317","0.0005","90","","97.793","0.004","90","","1598.93","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","0.71073","MoKα","","0.0588","0.0439","","","0.0971","0.1067","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155257","13.5746","0.0016","6.6256","0.0004","13.5089","0.0016","90","","123.176","0.017","90","","1016.9","0.3","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","0.5","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","0.71073","MoKα","","0.0593","0.0445","","","0.1119","0.1272","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155258","9.0952","0.0002","37.2652","0.0006","24.0116","0.0005","90","","107.621","0.002","90","","7756.5","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25.33333 H25 N1.66667 O13 -","- C25.3333 H25 N1.66667 O13 -","- C304 H300 N20 O156 -","12","3","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","0.71073","MoKα","","0.0753","0.0569","","","0.1314","0.1424","","","","","","1.047","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7155259","7.6974","0.0005","9.8515","0.0007","10.6292","0.0009","91.428","0.007","93.661","0.007","96.076","0.006","799.45","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O10 S2 -","- C34 H32 N2 O10 S2 -","- C34 H32 N2 O10 S2 -","1","0.5","","Murphy, R. B.; Norman, R. E.; White, J. M.; Perkins, M. V.; Johnston, M. R.","Tetra-porphyrin molecular tweezers: two binding sites linked via a polycyclic scaffold and rotating phenyl diimide core.","Organic & biomolecular chemistry","2016","14","37","8707","8720","10.1039/c6ob01588c","","","1.5418","CuKα","","0.07","0.0552","","","0.1413","0.1515","","","","","","0.963","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155260","4.672","0.004","5.359","0.004","67.02","0.05","90","","90","","90","","1678","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O3 -","- C17 H28 O3 -","- C68 H112 O12 -","4","1","","Kuilya, Tapan Kumar; Goswami, Rajib Kumar","Total synthesis of cananginone C and structural revision of debilisone A.","Organic & biomolecular chemistry","2016","14","37","8789","8799","10.1039/c6ob01671e","","","0.71073","MoKα","","0.1322","0.0478","","","0.0595","0.076","","","","","","0.925","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155261","12.1129","0.00015","10.43581","0.00014","11.94338","0.00015","90","","90.0578","0.0013","90","","1509.74","0.03","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(±)-diethyl ((1R,5S,6S)-2-oxo-6-phenyl-3-oxabicyclo[3.1.0]hexan-1-yl)phosphonate","","- C15 H19 O5 P -","- C15 H19 O5 P -","- C60 H76 O20 P4 -","4","1","","Lloyd, Matthew G.; Taylor, Richard J. K.; Unsworth, William P.","Phosphorylated cyclopropanes in the synthesis of α-alkylidene-γ-butyrolactones: total synthesis of (±)-savinin, (±)-gadain and (±)-peperomin E.","Organic & biomolecular chemistry","2016","14","38","8971","8988","10.1039/c6ob01527a","","x-ray","0.71073","MoKα","","0.0368","0.0328","","","0.0859","0.0886","","","","","","1.08","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155262","7.1086","0.0014","6.9376","0.0014","12.442","0.003","90","","94.573","0.003","90","","611.6","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 Cl O3 -","- C13 H13 Cl O3 -","- C26 H26 Cl2 O6 -","2","1","","Subba Reddy, B. V.; Biradar, Dhanraj O.; Vikram Reddy, Y.; Yadav, J. S.; Singarapu, Kiran Kumar; Sridhar, B.","Substitution dependent stereoselective construction of bicyclic lactones and its application to the total synthesis of pyranopyran, tetraketide and polyrhacitide A.","Organic & biomolecular chemistry","2016","14","37","8832","8837","10.1039/c6ob01686c","","","0.71073","MoKα","","0.0535","0.0418","","","0.0965","0.104","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155263","8.2425","0.0011","8.4394","0.001","13.236","0.002","90.149","0.011","100.435","0.012","104.134","0.011","877","0.2","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 N2 O S -","- C8 H10 N2 O S -","- C32 H40 N8 O4 S4 -","4","2","","Laborde, Julie; Deraeve, Céline; Duhayon, Carine; Pratviel, Geneviève; Bernardes-Génisson, Vania","Ethionamide biomimetic activation and an unprecedented mechanism for its conversion into active and non-active metabolites.","Organic & biomolecular chemistry","2016","14","37","8848","8858","10.1039/c6ob01561a","","","1.5418","CuKα","","0.0417","0.0354","","0.0428","0.0425","0.0425","","","","","","1.0588","","","","has coordinates","188299","2020-10-21","18:00:00",""
"7155264","13.739","0.005","5.908","0.005","17.319","0.005","90","0.005","91.208","0.005","90","0.005","1405.5","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Kumar, Sonu; Saunthwal, Rakesh K.; Aggarwal, Trapti; Kotla, Siva K Reddy; Verma, Akhilesh K.","Palladium meets copper: one-pot tandem synthesis of pyrido fused heterocycles via Sonogashira conjoined electrophilic cyclization.","Organic & biomolecular chemistry","2016","14","38","9063","9071","10.1039/c6ob01539e","","","0.71073","MoKα","","0.0823","0.0514","","","0.1235","0.1365","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155265","14.1684","0.0003","6.6657","0.0002","47.1845","0.0014","90","","91.503","0.002","90","","4454.7","0.2","292.87","0.11","292.87","0.11","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H21 I N2 O7 S -","- C19 H21 I N2 O7 S -","- C152 H168 I8 N16 O56 S8 -","8","1","","Beltran, R.; Nocquet-Thibault, S; Blanchard, F.; Dodd, R. H.; Cariou, K.","PIFA-mediated ethoxyiodination of enamides with potassium iodide.","Organic & biomolecular chemistry","2016","14","36","8448","8451","10.1039/c6ob01673a","","x-ray","0.71073","MoKα","","0.0536","0.0377","","","0.0945","0.1027","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155266","6.7507","0.0004","14.1829","0.0007","43.847","0.003","90","","90","","90","","4198.1","0.4","292.8","0.2","292.8","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H21 I N2 O6 S -","- C18 H21 I N2 O6 S -","- C144 H168 I8 N16 O48 S8 -","8","1","","Beltran, R.; Nocquet-Thibault, S; Blanchard, F.; Dodd, R. H.; Cariou, K.","PIFA-mediated ethoxyiodination of enamides with potassium iodide.","Organic & biomolecular chemistry","2016","14","36","8448","8451","10.1039/c6ob01673a","","x-ray","0.71073","MoKα","","0.1043","0.0597","","","0.165","0.1827","","","","","","1.097","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155267","5.1495","0.0002","9.3429","0.0003","27.7278","0.0008","90","","90","","90","","1334.02","0.08","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-(4-Chlorophenyl)(4-(pentafluorosulfanyl)phenyl)methanol","","- C13 H10 Cl F5 O S -","- C13 H10 Cl F5 O S -","- C52 H40 Cl4 F20 O4 S4 -","4","1","","Desroches, Justine; Tremblay, Ariane; Paquin, Jean-François","Racemic and enantioselective metal-catalyzed synthesis of SF5-containing diarylmethanols.","Organic & biomolecular chemistry","2016","14","37","8764","8780","10.1039/c6ob01663d","","x-ray","1.54178","CuKα","","0.0196","0.0196","","","0.0522","0.0522","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155268","7.7594","0.0012","19.459","0.003","11.8044","0.0019","90","","106.142","0.002","90","","1712.1","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H18 N2 O5.5 -","- C19.5 H17.5 N2 O5.5 -","- C78 H70 N8 O22 -","4","1","","Jones, Alan M.; Patterson, Stephen; Lorion, Magali M.; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","A core switching strategy to pyrrolo[2,3-b]quinolines and diazocino[1,2-a]indolinones.","Organic & biomolecular chemistry","2016","14","38","8998","9011","10.1039/c6ob01566b","","","0.71073","MoKα","","0.0552","0.0416","","","0.0971","0.1051","","","","","","1.024","","","","has coordinates","211412","2020-10-21","18:00:00",""
"7155269","10.843","0.003","19.28","0.005","11.337","0.004","90","","111.215","0.005","90","","2209.4","1.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O4 -","- C24 H26 N4 O4 -","- C96 H104 N16 O16 -","4","1","","Jones, Alan M.; Patterson, Stephen; Lorion, Magali M.; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","A core switching strategy to pyrrolo[2,3-b]quinolines and diazocino[1,2-a]indolinones.","Organic & biomolecular chemistry","2016","14","38","8998","9011","10.1039/c6ob01566b","","","0.7107","MoKα","","0.0975","0.0815","","","0.2014","0.2167","","","","","","1.147","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155270","6.4408","0.0008","16.415","0.002","6.882","0.0007","90","","93.991","0.01","90","","725.84","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-Methyl-1-oxa-7,8-diazaspiro[4.4]nona-3,8-dien-6-one","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","De Crescentini, L.; Perrulli, F. R.; Favi, G.; Santeusanio, S.; Giorgi, G.; Attanasi, O. A.; Mantellini, F.","Reactions of 1,2-diaza-1,3-butadienes with propargyl alcohol as an approach to novel bi-heterocyclic systems.","Organic & biomolecular chemistry","2016","14","37","8674","8678","10.1039/c6ob01595f","","","0.71073","MoKα","","0.0724","0.0473","","","0.0968","0.1132","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:28",""
"7155271","6.5491","0.0005","18.582","0.0013","12.9625","0.0009","90","","93.361","0.001","90","","1574.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-(8-methoxy-4H-benzo[g][1,2,3]triazolo[5,1-c][1,4]oxazocin-11-yl)(phenyl)methanone","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C76 H60 N12 O12 -","4","1","","Sastry, K. N. Visweswara; Routhu, Sunitha Rani; Datta, Soma Gupta; Nagesh, Narayana; Babu, Bathini Nagendra; Nanubolu, Jagadeesh Babu; Kumar, C. Ganesh; Maurya, Ram Awatar; Kamal, Ahmed","Synthesis, DNA binding affinity and anticancer activity of novel 4H-benzo[g][1,2,3]triazolo[5,1-c][1,4]oxazocines.","Organic & biomolecular chemistry","2016","14","39","9294","9305","10.1039/c6ob01077f","","","0.71073","MoKα","","0.0686","0.0625","","","0.1283","0.1315","","","","","","1.237","","","","has coordinates,has disorder","301861","2025-08-22","11:12:28",""
"7155272","9.4858","0.0012","16.647","0.002","20.977","0.002","90","","90","","90","","3312.5","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H31 B N4 O2 -","- C43 H31 B N4 O2 -","- C172 H124 B4 N16 O8 -","4","1","","Brittain, William D. G.; Chapin, Brette M.; Zhai, Wenlei; Lynch, Vincent M.; Buckley, Benjamin R.; Anslyn, Eric V.; Fossey, John S.","The Bull-James assembly as a chiral auxiliary and shift reagent in kinetic resolution of alkyne amines by the CuAAC reaction.","Organic & biomolecular chemistry","2016","14","46","10778","10782","10.1039/c6ob01623e","","","1.54184","CuKα","","0.0326","0.0313","","","0.0819","0.0831","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155273","17.8575","0.0015","17.3429","0.0016","11.9409","0.0011","90","","104.165","0.002","90","","3585.7","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N3 O2 S -","- C18 H16 Br N3 O2 S -","- C144 H128 Br8 N24 O16 S8 -","8","2","","Fan, Wei; Li, Yan-Rong; Jiang, Bo; Li, Guigen","Cascade bicyclization of triethylammonium thiolates with hydrazines: efficient access to pyrazolo[3,4-c]quinolines.","Organic & biomolecular chemistry","2016","14","38","9080","9087","10.1039/c6ob01728b","","","0.71073","MoKα","","0.0935","0.0393","","","0.0473","0.0505","","","","","","1.077","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155274","12.8359","0.0008","4.9611","0.0002","26.202","0.0019","90","","97.21","0.006","90","","1655.35","0.17","130","0.2","130","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2S,4R,5R)-5-Hydroxy-3-oxo-4-(pent-4-enyl)eicosan-2-yl","","- C33 H56 O5 -","- C33 H56 O5 -","- C66 H112 O10 -","2","1","","van der Peet, Phillip L.; Nagata, Masahiro; Shah, Sayali; White, Jonathan M.; Yamasaki, Sho; Williams, Spencer J.","Lipid structure influences the ability of glucose monocorynomycolate to signal through Mincle.","Organic & biomolecular chemistry","2016","14","39","9267","9277","10.1039/c6ob01781a","","","1.5418","CuKα","","0.0865","0.0658","","","0.1806","0.2006","","","","","","1.006","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155275","16.385","0.002","13.037","0.002","8.2869","0.0014","90","","103.74","0.006","90","","1719.5","0.4","140","2","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O2 S2 -","- C19 H15 N O2 S2 -","- C76 H60 N4 O8 S8 -","4","1","","Kumar, Shailesh; Kadu, Rahul; Kumar, Sangit","Regioselective transition metal- and halogen-free direct dithiolation at C(sp(3))-H of nitrotoluenes with diaryl disulfides.","Organic & biomolecular chemistry","2016","14","39","9210","9214","10.1039/c6ob01856d","","","0.71073","MoKα","","0.0623","0.0381","","","0.076","0.0844","","","","","","1.0511","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155276","7.6546","0.0008","29.982","0.003","8.7107","0.001","90","","108.845","0.004","90","","1891.9","0.4","187","2","187.23","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Br2 N O2 S2 -","- C19 H13 Br2 N O2 S2 -","- C76 H52 Br8 N4 O8 S8 -","4","1","","Kumar, Shailesh; Kadu, Rahul; Kumar, Sangit","Regioselective transition metal- and halogen-free direct dithiolation at C(sp(3))-H of nitrotoluenes with diaryl disulfides.","Organic & biomolecular chemistry","2016","14","39","9210","9214","10.1039/c6ob01856d","","","0.71073","MoKα","","0.0434","0.0318","","","0.0571","0.0603","","","","","","1.0694","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155277","13.122","0.006","12.993","0.006","7.922","0.004","90","","103.66","0.012","90","","1312.5","1.1","140","2","140.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C56 H40 N8 O20 -","4","1","","Kumar, Shailesh; Kadu, Rahul; Kumar, Sangit","Regioselective transition metal- and halogen-free direct dithiolation at C(sp(3))-H of nitrotoluenes with diaryl disulfides.","Organic & biomolecular chemistry","2016","14","39","9210","9214","10.1039/c6ob01856d","","","0.71073","MoKα","","0.1293","0.059","","","0.1061","0.1284","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155278","9.6173","0.0005","9.7573","0.0005","12.8363","0.0007","90","","100.175","0.002","90","","1185.6","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-benzyl-3-hydroxyindolin-2-one","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Chaudhari, Moreshwar Bhagwan; Bisht, Girish Singh; Kumari, Pooja; Gnanaprakasam, Boopathy","Ruthenium-catalyzed direct α-alkylation of amides using alcohols.","Organic & biomolecular chemistry","2016","14","39","9215","9220","10.1039/c6ob01786j","","","1.54178","CuKα","","0.0384","0.0336","","","0.0962","0.103","","","","","","0.659","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155279","10.952","0.003","11.34","0.004","10.721","0.003","90","","99.771","0.007","90","","1312.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-3-(3-methylbenzyl)indolin-2-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Chaudhari, Moreshwar Bhagwan; Bisht, Girish Singh; Kumari, Pooja; Gnanaprakasam, Boopathy","Ruthenium-catalyzed direct α-alkylation of amides using alcohols.","Organic & biomolecular chemistry","2016","14","39","9215","9220","10.1039/c6ob01786j","","","0.71073","MoKα","","0.0806","0.0469","","","0.1232","0.1432","","","","","","0.933","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155280","10.743","0.0009","16.6008","0.0014","6.9203","0.0007","90","","100.069","0.005","90","","1215.17","0.19","298","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C52 H36 N4 O20 -","4","1","","Hossian, Asik; Jana, Ranjan","Carboxyl radical-assisted 1,5-aryl migration through Smiles rearrangement.","Organic & biomolecular chemistry","2016","14","41","9768","9779","10.1039/c6ob01758d","","","0.71073","MoKα","","0.0772","0.0468","","","0.1185","0.1364","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155281","6.4411","0.0005","16.0503","0.0012","30.612","0.003","90","","90","","90","","3164.7","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C160 H128 N16 O24 -","8","1","","Asby, D. J.; Radigois, M. G.; Wilson, D. C.; Cuda, F.; Chai, C. L. L.; Chen, A.; Bienemann, A. S.; Light, M. E.; Harrowven, D. C.; Tavassoli, A.","Triggering apoptosis in cancer cells with an analogue of cribrostatin 6 that elevates intracellular ROS.","Organic & biomolecular chemistry","2016","14","39","9322","9330","10.1039/c6ob01591c","","x-ray","0.71073","MoKα","","0.1353","0.081","","","0.162","0.1865","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155282","13.0766","0.0003","8.0857","0.0002","14.076","0.0004","90","","90.35","0.002","90","","1488.28","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl2 O4 -","- C15 H14 Cl2 O4 -","- C60 H56 Cl8 O16 -","4","1","","Zhang, Yan; Tian, Yan; Xiang, Pei; Huang, Ning; Wang, Jianyi; Xu, Jian-Hua; Zhang, Min","A metal-free one-pot synthesis of benzo[c]chromen-6-ones from 3,4-dichlorocoumarins and butadienes using tandem photo-thermal-photo reactions.","Organic & biomolecular chemistry","2016","14","41","9874","9882","10.1039/c6ob01701k","","","0.71073","MoKα","","0.0445","0.0353","","","0.0955","0.1005","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155283","7.865","0.0011","8.607","0.0011","10.2615","0.0015","92.788","0.006","112.186","0.006","105.046","0.004","612.75","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C30 H22 Br2 O4 -","2","1","","Zhang, Yan; Tian, Yan; Xiang, Pei; Huang, Ning; Wang, Jianyi; Xu, Jian-Hua; Zhang, Min","A metal-free one-pot synthesis of benzo[c]chromen-6-ones from 3,4-dichlorocoumarins and butadienes using tandem photo-thermal-photo reactions.","Organic & biomolecular chemistry","2016","14","41","9874","9882","10.1039/c6ob01701k","","","0.71073","MoKα","","0.0564","0.04","","","0.0997","0.1076","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155284","9.018","0.002","12.159","0.003","14.878","0.004","107.953","0.002","95.582","0.002","107.978","0.003","1442.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H11 B F3 N2 O1.5 S -","- C14 H11 B F3 N2 O1.5 S -","- C56 H44 B4 F12 N8 O6 S4 -","4","2","","Hiscock, Jennifer R.; Wells, Neil J.; Ede, Jayne A.; Gale, Philip A.; Sambrook, Mark R.","Biasing hydrogen bond donating host systems towards chemical warfare agent recognition.","Organic & biomolecular chemistry","2016","14","40","9560","9567","10.1039/c6ob01210h","","x-ray","0.71075","MoKα","","0.067","0.043","","","0.1081","0.1199","","","","","","0.886","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155285","17.561","0.006","16.385","0.005","23.157","0.008","90","","103.246","0.005","90","","6486","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 B F6 N3 O -","- C30 H46 B F6 N3 O -","- C240 H368 B8 F48 N24 O8 -","8","2","","Hiscock, Jennifer R.; Wells, Neil J.; Ede, Jayne A.; Gale, Philip A.; Sambrook, Mark R.","Biasing hydrogen bond donating host systems towards chemical warfare agent recognition.","Organic & biomolecular chemistry","2016","14","40","9560","9567","10.1039/c6ob01210h","","x-ray","0.71075","MoKα","","0.1031","0.0763","","","0.2254","0.2461","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155286","12.0073","0.0004","5.9225","0.0002","13.6415","0.0004","90","","109.584","0.001","90","","913.97","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","K071","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Khan, Ismat Ullah; Kattela, Shivashankar; Hassan, Abbas; Correia, Carlos Roque Duarte","Enantioselective total synthesis of the highly selective sphingosine-1-receptor VPC01091 by the Heck desymmetrization of a non-activated cyclopentene-fused spiro-pyrrolidinone.","Organic & biomolecular chemistry","2016","14","40","9476","9480","10.1039/c6ob01892k","","","1.54178","CuKα","","0.0402","0.0402","","","0.098","0.0981","","","","","","1.089","","","","has coordinates,has disorder","301861","2025-08-22","11:12:29",""
"7155287","5.1845","0.0007","11.6355","0.0015","16.143","0.002","90","","95.867","0.003","90","","968.7","0.2","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Miles-Barrett, Daniel M; Neal, Andrew R.; Hand, Calum; Montgomery, James R. D.; Panovic, Isabella; Ojo, O. Stephen; Lancefield, Christopher S.; Cordes, David B.; Slawin, Alexandra M. Z.; Lebl, Tomas; Westwood, Nicholas J.","The synthesis and analysis of lignin-bound Hibbert ketone structures in technical lignins.","Organic & biomolecular chemistry","2016","14","42","10023","10030","10.1039/c6ob01915c","","","1.54187","CuKα","","0.0396","0.0329","","","0.0928","0.0969","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155288","7.9885","0.0019","10.68","0.003","12.967","0.003","90","","90.113","0.006","90","","1106.3","0.5","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","1","","Miles-Barrett, Daniel M; Neal, Andrew R.; Hand, Calum; Montgomery, James R. D.; Panovic, Isabella; Ojo, O. Stephen; Lancefield, Christopher S.; Cordes, David B.; Slawin, Alexandra M. Z.; Lebl, Tomas; Westwood, Nicholas J.","The synthesis and analysis of lignin-bound Hibbert ketone structures in technical lignins.","Organic & biomolecular chemistry","2016","14","42","10023","10030","10.1039/c6ob01915c","","","1.54187","CuKα","","0.057","0.0551","","","0.1443","0.1468","","","","","","1.102","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155290","7.4819","0.0003","12.1332","0.0005","25.226","0.0008","90","","90","","90","","2290","0.15","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Amide ester","","- C25 H26 N2 O6 S -","- C25 H26 N2 O6 S -","- C100 H104 N8 O24 S4 -","4","1","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.7107","MoKα","","0.0538","0.0447","","","0.1018","0.1063","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155291","9.0934","0.0004","10.9932","0.0004","25.0614","0.0014","90","","90","","90","","2505.3","0.2","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Amine Ester","","- C25 H28 N2 O5 S -","- C25 H28 N2 O5 S -","- C100 H112 N8 O20 S4 -","4","1","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.7107","MoKα","","0.0609","0.051","","","0.128","0.1401","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155292","14.2702","0.0011","14.2594","0.0007","22.3948","0.0015","90","","90","","90","","4557","0.5","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Aminoalcohol","Aminoalcohol","","- C48 H52 N4 O7 S2 -","- C48 H52 N4 O7 S2 -","- C192 H208 N16 O28 S8 -","4","0.5","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.71073","MoKα","","0.0908","0.0626","","","0.1576","0.1861","","","","","","1.038","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155293","9.7279","0.0017","11.657","0.002","22.965","0.004","76.436","0.003","80.414","0.003","70.405","0.003","2373.9","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Fluoro-2-(4-(trifluoromethyl)benzamido)phenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazin-5-yl acetate","","- C26 H20 F4 N2 O4 -","- C26 H20 F4 N2 O4 -","- C104 H80 F16 N8 O16 -","4","2","","Ranjith, Jala; Rajesh, Nomula; Sridhar, Balasubramanian; Radha Krishna, Palakodety","Intramolecular oxyacetoxylation of N-allylamides: an expeditious synthesis of oxazolines and oxazines by using a PhI(OAc)2/hydrogen fluoride-pyridine system.","Organic & biomolecular chemistry","2016","14","42","10074","10079","10.1039/c6ob01752e","","","0.71073","MoKα","","0.1051","0.0717","","","0.2042","0.2363","","","","","","1.041","","","","has coordinates,has disorder","188308","2020-10-21","18:00:00",""
"7155294","7.3604","0.0004","9.3854","0.0006","12.8395","0.001","95.461","0.004","101.655","0.004","105.055","0.003","828.57","0.1","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","(2-(2-Benzamidophenyl)-4,5-dihydrooxazol-5-yl)methyl acetate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","","Ranjith, Jala; Rajesh, Nomula; Sridhar, Balasubramanian; Radha Krishna, Palakodety","Intramolecular oxyacetoxylation of N-allylamides: an expeditious synthesis of oxazolines and oxazines by using a PhI(OAc)2/hydrogen fluoride-pyridine system.","Organic & biomolecular chemistry","2016","14","42","10074","10079","10.1039/c6ob01752e","","","0.71073","MoKα","","0.1379","0.0723","","","0.1438","0.1703","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155295","12.3506","0.0005","15.093","0.0006","17.7124","0.0007","90","","100.508","0.002","90","","3246.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 F N2 O4 -","- C39 H35 F N2 O4 -","- C156 H140 F4 N8 O16 -","4","1","","Jia, Shi-Kun; Song, Long-Long; Lei, Yu-Bing; Gopi Krishna Reddy, A.; Xing, Dong; Hu, Wen-Hao","A Rh(ii)-catalyzed three-component reaction of 3-diazooxindoles with N,N-disubstituted anilines and glyoxylates for the synthesis of 3-aryl-3-substituted oxindoles.","Organic & biomolecular chemistry","2016","14","43","10157","10160","10.1039/c6ob01907b","","","0.71073","MoKα","","0.1551","0.0818","","","0.2286","0.2925","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155296","16.529","0.004","9.1486","0.0018","21.563","0.005","90","","110.685","0.008","90","","3050.5","1.2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 N6 O7 S2 -","- C25 H38 N6 O9 S2 -","- C100 H152 N24 O36 S8 -","4","1","","Lin, Huacan; Jiang, Yixiang; Hu, Kuan; Zhang, Qingzhou; He, Chuanxin; Wang, Tao; Li, Zigang","An in-tether sulfilimine chiral center induces β-turn conformation in short peptides.","Organic & biomolecular chemistry","2016","14","42","9993","9999","10.1039/c6ob01805j","","","1.54187","CuKα","","","0.1171","","","","0.3475","","","","","","1.948","","","","has coordinates","188310","2020-10-21","18:00:00",""
"7155297","16.529","0.004","9.1486","0.0018","21.563","0.005","90","","110.685","0.008","90","","3050.5","1.2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 N6 O7 S2 -","- C25 H38 N6 O9 S2 -","- C100 H152 N24 O36 S8 -","4","1","","Lin, Huacan; Jiang, Yixiang; Hu, Kuan; Zhang, Qingzhou; He, Chuanxin; Wang, Tao; Li, Zigang","An in-tether sulfilimine chiral center induces β-turn conformation in short peptides.","Organic & biomolecular chemistry","2016","14","42","9993","9999","10.1039/c6ob01805j","","","1.54187","CuKα","","","0.1171","","","","0.3475","","","","","","1.948","","","","has coordinates","188310","2020-10-21","18:00:00",""
"7155298","10.0376","0.00018","11.6437","0.0002","18.2329","0.0003","90","","90","","90","","2130.97","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N2 O3 P -","- C24 H23 N2 O3 P -","- C96 H92 N8 O12 P4 -","4","1","","Lin, Shaoquan; Kumagai, Naoya; Shibasaki, Masakatsu","Enantioselective synthesis of α,α-disubstituted α-amino acids via direct catalytic asymmetric addition of acetonitrile to α-iminoesters.","Organic & biomolecular chemistry","2016","14","41","9725","9730","10.1039/c6ob01874b","","","1.54187","CuKα","","0.0706","0.0653","","","0.1508","0.1523","","","","","","1.277","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155299","10.877","0.005","11.117","0.005","11.854","0.005","97.983","0.005","103.313","0.005","94.203","0.005","1373.1","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H24 N2 O2 -","- C39 H24 N2 O2 -","- C78 H48 N4 O4 -","2","1","","Karthik, Shanmugam; Ajantha, Joseph; Nagaraja, C. M.; Easwaramoorthi, Shanmugam; Gandhi, Thirumanavelan","Synthesis and photophysics of extended π-conjugated systems of substituted 10-aryl-pyrenoimidazoles.","Organic & biomolecular chemistry","2016","14","43","10255","10266","10.1039/c6ob01760f","","","0.71073","MoKα","","0.0747","0.0516","","","0.1264","0.1413","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155300","9.5058","0.001","16.1683","0.0016","17.7882","0.0017","90","","93.27","0.003","90","","2729.5","0.5","0","2","0","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H21 F3 N2 -","- C38 H21 F3 N2 -","- C152 H84 F12 N8 -","4","1","","Karthik, Shanmugam; Ajantha, Joseph; Nagaraja, C. M.; Easwaramoorthi, Shanmugam; Gandhi, Thirumanavelan","Synthesis and photophysics of extended π-conjugated systems of substituted 10-aryl-pyrenoimidazoles.","Organic & biomolecular chemistry","2016","14","43","10255","10266","10.1039/c6ob01760f","","","0.71073","MoKα","","0.099","0.0621","","","0.1757","0.1944","","","","","","1.289","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155301","19.5798","0.0005","10.5855","0.0002","30.2255","0.0008","90","","100.449","0.002","90","","6160.7","0.3","140","2","140","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C56 H82 Cl4 O14 -","- C56 H82 Cl4 O14 -","- C224 H328 Cl16 O56 -","4","0.5","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0508","0.0383","","","0.0933","0.0993","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155302","11.519","0.0003","12.8094","0.0005","15.5844","0.0004","79.044","0.003","77.462","0.002","71.732","0.003","2112.99","0.12","140","2","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C39.5 H52 Cl4 O15.5 -","- C38 H45.5 Cl4 O15.3 -","- C76 H91 Cl8 O30.6 -","2","1","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.1377","0.0743","","","0.191","0.2403","","","","","","1.041","","","","has coordinates,has disorder","188291","2020-10-21","18:00:00",""
"7155303","13.6713","0.0005","13.6859","0.0004","15.8507","0.0005","87.748","0.003","71.565","0.003","84.007","0.003","2798.1","0.17","140","2","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H80 Cl4 O15 -","- C49.1 H58.15 Cl4 O14.55 -","- C98.2 H116.3 Cl8 O29.1 -","2","1","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0953","0.0671","","","0.1565","0.1718","","","","","","1.046","","","","has coordinates,has disorder","188291","2020-10-21","18:00:00",""
"7155304","12.3214","0.0006","11.6802","0.0005","15.2837","0.0006","90","","107.433","0.004","90","","2098.54","0.17","140","2","140","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 O5 -","- C24 H22 Cl2 O5 -","- C96 H88 Cl8 O20 -","4","1","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0584","0.0382","","","0.0776","0.0832","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155305","11.799","0.008","10.489","0.006","17.066","0.012","90","","105.461","0.012","90","","2036","2","150","2","150","2","","","","","","","NO","4","P 1 21/c 1","-P 2ybc","14","Fused Indeno Pyridine","1-(1-phenyl-3-p-tolyl-1H-indeno[2,1-c]pyridin-2(9H)-yl)ethanone","","- C27 H23 N O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","1","","Fathimath Salfeena, C. T.; Ashitha, K. T.; Sasidhar, B. S.","BF3·Et2O mediated one-step synthesis of N-substituted-1,2-dihydropyridines, indenopyridines and 5,6-dihydroisoquinolines.","Organic & biomolecular chemistry","2016","14","43","10165","10169","10.1039/c6ob02133f","","","0.71073","MoKα","","0.1002","0.0577","","","0.1312","0.151","","","","","","0.731","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155306","12.523","0.013","9.952","0.01","16.598","0.018","90","","107.466","0.016","90","","1973","4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2,4-diphenyl-6-(p-tolyl)pyridin-1(2H)-yl)ethanone","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","Fathimath Salfeena, C. T.; Ashitha, K. T.; Sasidhar, B. S.","BF3·Et2O mediated one-step synthesis of N-substituted-1,2-dihydropyridines, indenopyridines and 5,6-dihydroisoquinolines.","Organic & biomolecular chemistry","2016","14","43","10165","10169","10.1039/c6ob02133f","","","0.71073","MoKα","","0.1085","0.0714","","","0.1708","0.1943","","","","","","0.655","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155307","13.729","0.002","8.3619","0.0009","14.594","0.003","90","","114.96","0.02","90","","1518.9","0.5","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H55 N O Se -","- C35 H55 N O Se -","- C70 H110 N2 O2 Se2 -","2","1","","Sidoryk, Katarzyna; Rárová, Lucie; Oklešťková, Jana; Pakulski, Zbigniew; Strnad, Miroslav; Cmoch, Piotr; Luboradzki, Roman","Synthesis of 28a-homoselenolupanes and 28a-homoselenolupane saponins.","Organic & biomolecular chemistry","2016","14","43","10238","10248","10.1039/c6ob01938b","","","1.54184","CuKα","","0.1157","0.0895","","","0.228","0.2644","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155308","8.0194","0.0005","16.8849","0.0011","20.7855","0.0013","90","","90","","90","","2814.5","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Cl3 N2 O3 S -","- C31 H23 Cl3 N2 O3 S -","- C124 H92 Cl12 N8 O12 S4 -","4","1","","Kayal, Satavisha; Mukherjee, Santanu","Catalytic enantioselective cascade Michael/cyclization reaction of 3-isothiocyanato oxindoles with exocyclic α,β-unsaturated ketones en route to 3,2'-pyrrolidinyl bispirooxindoles.","Organic & biomolecular chemistry","2016","14","43","10175","10179","10.1039/c6ob02187e","","","0.71073","MoKα","","0.0386","0.0325","","","0.0683","0.0705","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155309","10.4127","0.0004","10.9678","0.0004","12.8544","0.0005","81.329","0.002","89.605","0.002","65.632","0.001","1319.47","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N O4 -","- C34 H31 N O4 -","- C68 H62 N2 O8 -","2","1","","Alajarin, Mateo; Egea, Adrian; Orenes, Raul-Angel; Vidal, Angel","Lewis acid catalyzed [3 + 2] annulation of ketenimines with donor-acceptor cyclopropanes: an approach to 2-alkylidenepyrrolidine derivatives.","Organic & biomolecular chemistry","2016","14","43","10275","10284","10.1039/c6ob02005d","","","1.54178","CuKα","","0.05","0.0429","","","0.1085","0.1143","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155310","10.8601","0.0016","56.18","0.008","10.8603","0.0016","90","","114.63","0.001","90","","6023.2","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H35 N O6 -","- C37 H35 N O6 -","- C296 H280 N8 O48 -","8","4","","Alajarin, Mateo; Egea, Adrian; Orenes, Raul-Angel; Vidal, Angel","Lewis acid catalyzed [3 + 2] annulation of ketenimines with donor-acceptor cyclopropanes: an approach to 2-alkylidenepyrrolidine derivatives.","Organic & biomolecular chemistry","2016","14","43","10275","10284","10.1039/c6ob02005d","","","1.54178","CuKα","","0.0312","0.0309","","","0.0783","0.0786","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155311","12.1869","0.0005","14.43","0.0006","12.8949","0.0005","90","","115.941","0.0017","90","","2039.18","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Butyl 5-(2-hydroxybenzoyl)-2-(phenylamino)nicotinate","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","","Baral, Ek Raj; Sharma, Kavita; Akhtar, Muhammad Saeed; Lee, Yong Rok","A catalyst- and solvent-free thermal multicomponent approach for the construction of diverse and polysubstituted 2-aminopyridines and their antibacterial activity.","Organic & biomolecular chemistry","2016","14","43","10285","10297","10.1039/c6ob02015a","","","0.71073","MoKα","","0.0866","0.0471","","","0.1063","0.1242","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155312","4.7439","0.0008","16.18","0.003","18.262","0.003","90","","90","","90","","1401.7","0.4","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C64 H52 Cl4 N8 O4 -","4","1","","Zhou, Hui; Deng, Xin Zhao; Zhang, Ai Hua; Tan, Ren Xiang","Visible-light-promoted synthesis of phenanthridines via an intermolecular isocyanide insertion reaction.","Organic & biomolecular chemistry","2016","14","44","10407","10414","10.1039/c6ob02113a","","","0.71073","MoKα","","0.1181","0.0446","","","0.0903","0.1179","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155313","8.2579","0.0005","16.2062","0.001","21.6169","0.0013","90","","90","","90","","2893","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cl N2 O -","- C18 H15 Cl N2 O -","- C144 H120 Cl8 N16 O8 -","8","1","","Zhou, Hui; Deng, Xin Zhao; Zhang, Ai Hua; Tan, Ren Xiang","Visible-light-promoted synthesis of phenanthridines via an intermolecular isocyanide insertion reaction.","Organic & biomolecular chemistry","2016","14","44","10407","10414","10.1039/c6ob02113a","","","1.54178","CuKα","","0.0679","0.0384","","","0.1133","0.1207","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155314","11.819","0.005","10.742","0.003","12.543","0.005","90","","113.26","0.005","90","","1463","0.9","103.15","","103.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","1","","Tanabe, Junki; Taura, Daisuke; Ousaka, Naoki; Yashima, Eiji","Remarkable acceleration of template-directed photodimerisation of 9-phenylethynylanthracene derivatives assisted by complementary salt bridge formation.","Organic & biomolecular chemistry","2016","14","46","10822","10832","10.1039/c6ob02087a","","","0.71075","MoKα","","0.0694","0.0603","","","0.134","0.1403","","","","","","1.122","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155315","10.616","0.004","18.469","0.007","15.306","0.006","90","","100.612","0.007","90","","2950","2","103.15","","103.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 -","- C44 H28 -","- C176 H112 -","4","1","","Tanabe, Junki; Taura, Daisuke; Ousaka, Naoki; Yashima, Eiji","Remarkable acceleration of template-directed photodimerisation of 9-phenylethynylanthracene derivatives assisted by complementary salt bridge formation.","Organic & biomolecular chemistry","2016","14","46","10822","10832","10.1039/c6ob02087a","","","0.71075","MoKα","","0.0516","0.0491","","","0.1214","0.1236","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155316","25.813","0.005","19.94","0.004","27.557","0.006","90","","101.78","0.03","90","","13885","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H80 F12 N10 O8 P2 -","- C126 H80 F12 N10 O8 P2 -","- C504 H320 F48 N40 O32 P8 -","4","1","","Wang, Han-Xiao; Hu, Shu-Zhen; Shi, Qiang; Chen, Chuan-Feng","Complexation between a triptycene-derived oxacalixarene and π-extended viologens: linker-length-dependent orientation of the macrocycles in pseudo[3]rotaxanes.","Organic & biomolecular chemistry","2016","14","44","10481","10488","10.1039/c6ob02093c","","","0.71073","MoKα","","0.1595","0.1101","","","0.2757","0.3004","","","","","","1.334","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155317","31.334","0.004","31.334","0.004","27.064","0.004","90","","90","","120","","23012","5","173.15","","173.15","","","","","","","","","6","R -3","-R 3","148","","","","- C128 H82 F12 N10 O8 P2 -","- C128 H82 F12 N10 O8 P2 -","- C1152 H738 F108 N90 O72 P18 -","9","","","Wang, Han-Xiao; Hu, Shu-Zhen; Shi, Qiang; Chen, Chuan-Feng","Complexation between a triptycene-derived oxacalixarene and π-extended viologens: linker-length-dependent orientation of the macrocycles in pseudo[3]rotaxanes.","Organic & biomolecular chemistry","2016","14","44","10481","10488","10.1039/c6ob02093c","","","0.71073","MoKα","","0.1172","0.1049","","","0.2751","0.2806","","","","","","1.731","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155318","8.4221","0.0003","9.777","0.0003","11.8865","0.0004","101.423","0.001","98.231","0.001","110.96","0.001","871.07","0.05","290","2","290","2","","","","","","","","4","P 1","P 1","1","butyl iodo methylphenanthren yl selane","butyl(10- iodo-7- methylphenanthren-9- yl) selane","","- C19 H19 I Se -","- C19 H19 I Se -","- C38 H38 I2 Se2 -","2","2","","Grimaldi, Tamiris B.; Lutz, Guilherme; Back, Davi F.; Zeni, Gilson","(Biphenyl-2-alkyne) derivatives as common precursors for the synthesis of 9-iodo-10-organochalcogen-phenanthrenes and 9-organochalcogen-phenanthrenes.","Organic & biomolecular chemistry","2016","14","44","10415","10426","10.1039/c6ob01807f","","","0.71073","MoKα","","0.052","0.036","","","0.0847","0.0919","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155319","8.473","0.002","19.517","0.004","7.043","0.002","90","","102.04","0.03","90","","1139.1","0.5","293.2","","293.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br N2 O -","- C12 H11 Br N2 O -","- C48 H44 Br4 N8 O4 -","4","1","","Wang, Ying; Wang, Yang; Jiang, Kai; Zhang, Qian; Li, Dong","Transition-metal-free oxidative C5 C-H-halogenation of 8-aminoquinoline amides using sodium halides.","Organic & biomolecular chemistry","2016","14","43","10180","10184","10.1039/c6ob02079h","","","1.54056","CuKa","","0.0594","0.0432","","","0.0964","0.1026","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155320","10.5659","0.0003","13.366","0.0004","20.8146","0.0004","84.956","0.002","76.05","0.002","77.06","0.002","2778.58","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 N4 O S -","- C33 H28 N4 O S -","- C132 H112 N16 O4 S4 -","4","2","","Grolleau, Jérémie; Gohier, Frédéric; Cabanetos, Clément; Allain, Magali; Legoupy, Stéphanie; Frère, Pierre","Syntheses via a direct arylation method of push-pull molecules based on triphenylamine and 3-cyano-4-hexyloxythiophene moieties.","Organic & biomolecular chemistry","2016","14","44","10516","10522","10.1039/c6ob02036d","","x-ray","1.54184","CuKα","","0.0653","0.0538","","","0.1434","0.1554","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155321","7.367","0.0003","12.1881","0.0003","21.7372","0.0005","90","","90","","90","","1951.78","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,1R,6R)-tert-butyl 6'-chloro-2'-oxo-6,6a-dihydro-1H-spiro[cyclopropa[a]indene-1,3'-indoline]-1'-carboxylate","","- C22 H19 Cl N O3 -","- C22 H19 Cl N O3 -","- C88 H76 Cl4 N4 O12 -","4","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","1.54184","CuKα","","0.0577","0.0474","","","0.1366","0.1482","","","","","","1.066","","","","has coordinates,has disorder","190260","2020-10-21","18:00:00",""
"7155322","11.3609","0.0003","11.3606","0.0003","14.5605","0.0004","90","","90","","90","","1879.27","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C84 H80 Cl4 N4 O12 -","4","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","1.54184","CuKα","","0.0512","0.0478","","","0.1311","0.1361","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155323","9.033","0.0005","9.8048","0.0007","12.0153","0.0007","90","","90.156","0.005","90","","1064.15","0.11","223","0.1","223","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C46 H48 Cl2 N2 O8 -","2","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","0.71073","MoKα","","0.0427","0.0362","","","0.0822","0.0857","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155324","9.8675","0.0005","10.2949","0.0005","11.0351","0.0006","117.594","0.005","105.751","0.005","97.854","0.004","909.82","0.11","300","","300","","","","","","","","","4","P -1","-P 1","2","","13-(tert-butylamino)-5,6-dihydropyrido[2',1':2,3]imidazo[5,1-a]isoquinolin-7-ium bromide","","- C19 H22 Br N3 -","- C19 H22 Br N3 -","- C38 H44 Br2 N6 -","2","1","","Sagar, A.; Nagarjuna Babu, Venkata; Shinde, Anand H.; Sharada, Duddu S.","A metal-free cyclic iminium induced one-pot double annulation cascade: access to dihydroisoquinolinium (DHIQ) salts.","Organic & biomolecular chemistry","2016","14","44","10366","10370","10.1039/c6ob02089e","","x-ray","1.54184","CuKα","","0.0396","0.0354","","","0.0904","0.0939","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155327","8.3983","0.0004","14.6292","0.0006","16.7263","0.0008","92.703","0.003","101.462","0.003","104.534","0.003","1939.34","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrin chloroform solvate","","- C42 H47 Cl6 N3 O -","- C41 H46 Cl3 N3 O -","- C82 H92 Cl6 N6 O2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.","Organic & biomolecular chemistry","2016","14","44","10523","10533","10.1039/c6ob02052f","","x-ray","0.71073","MoKα","","0.1149","0.0586","","","","0.1483","","","","","","1.015","","","","has coordinates,has disorder","190266","2020-10-21","18:00:00",""
"7155328","12.6923","0.0007","13.2018","0.0007","13.612","0.0008","64.986","0.003","62.582","0.003","86.745","0.003","1807.56","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrinato]copper(ii) chloroform solvate","","- C41 H44 Cl3 Cu N3 O -","- C41 H44 Cl3 Cu N3 O -","- C82 H88 Cl6 Cu2 N6 O2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.","Organic & biomolecular chemistry","2016","14","44","10523","10533","10.1039/c6ob02052f","","x-ray","0.71073","MoKα","","0.0473","0.0338","","","","0.0824","","","","","","1.022","","","","has coordinates","190266","2020-10-21","18:00:00",""
"7155329","11.5534","0.0007","12.889","0.0008","13.1228","0.0008","94.893","0.004","114.886","0.003","110.418","0.003","1598.2","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2^3^-<i>tert</i>-Butyl-8,12,13,17-tetraethyl-7,18-dimethyl-21-oxyazuliporphyrinato]palladium(ii)","","- C40 H43 N3 O Pd -","- C40 H43 N3 O Pd -","- C80 H86 N6 O2 Pd2 -","2","1","","Adiraju, Venkata A. K.; Ferrence, Gregory M.; Lash, Timothy D.","Regioselective oxidation and metalation of meso-unsubstituted azuliporphyrins.","Organic & biomolecular chemistry","2016","14","44","10523","10533","10.1039/c6ob02052f","","x-ray","0.71073","MoKα","","0.0538","0.038","","","","0.0957","","","","","","1.068","","","","has coordinates,has disorder","190266","2020-10-21","18:00:00",""
"7155331","10.3562","0.0019","14.494","0.003","10.9559","0.0019","90","","98.598","0.003","90","","1626","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Li, Jiawen; Qin, Guiping; Huang, Hanmin","Silver-catalyzed nucleophilic substitution of aminals with ethyl diazoacetate: a new pathway to β-amino-α-diazoesters.","Organic & biomolecular chemistry","2016","14","45","10572","10575","10.1039/c6ob02136k","","","0.71073","MoKα","","0.0923","0.0518","","","0.1161","0.1361","","","","","","0.996","","","","has coordinates","190258","2020-10-21","18:00:00",""
"7155332","10.309","0.005","14.264","0.007","10.935","0.005","90","","98.732","0.008","90","","1589.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cl N3 O3 -","- C15 H18 Cl N3 O3 -","- C60 H72 Cl4 N12 O12 -","4","1","","Li, Jiawen; Qin, Guiping; Huang, Hanmin","Silver-catalyzed nucleophilic substitution of aminals with ethyl diazoacetate: a new pathway to β-amino-α-diazoesters.","Organic & biomolecular chemistry","2016","14","45","10572","10575","10.1039/c6ob02136k","","","0.71073","MoKα","","0.0666","0.0497","","","0.1435","0.1601","","","","","","0.997","","","","has coordinates","190258","2020-10-21","18:00:00",""
"7155333","7.5325","0.0007","8.2606","0.0007","9.0301","0.0008","73.705","0.008","83.998","0.008","68.21","0.008","500.78","0.08","295","2","295","2","","","","","","","Synthesized compound","3","P -1","-P 1","2","","6-methyl-3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine","","- C12 H10 N4 -","- C12 H10 N4 -","- C24 H20 N8 -","2","1","","Inturi, Surendra Babu; Kalita, Biswajit; Ahamed, A. Jafar","I2-TBHP-catalyzed one-pot highly efficient synthesis of 4,3-fused 1,2,4-triazoles from N-tosylhydrazones and aromatic N-heterocycles via intermolecular formal 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2016","14","47","11061","11064","10.1039/c6ob01926a","","","0.71073","MoKα","","0.0625","0.0493","","","0.098","0.1054","","","","","","1.165","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155334","6.5842","0.001","10.527","0.003","14.581","0.003","90","","90","","90","","1010.6","0.4","295","2","295","2","","","","","","","Synthesized compound","4","P 21 21 21","P 2ac 2ab","19","","6-fluoro-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine","","- C12 H8 F N3 -","- C12 H8 F N3 -","- C48 H32 F4 N12 -","4","1","","Inturi, Surendra Babu; Kalita, Biswajit; Ahamed, A. Jafar","I2-TBHP-catalyzed one-pot highly efficient synthesis of 4,3-fused 1,2,4-triazoles from N-tosylhydrazones and aromatic N-heterocycles via intermolecular formal 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2016","14","47","11061","11064","10.1039/c6ob01926a","","","0.71073","MoKα","","0.0634","0.0407","","","0.0668","0.0765","","","","","","0.984","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155335","6.48478","0.00012","10.65822","0.00019","30.3573","0.0006","85.3716","0.0008","88.6754","0.0007","78.29","0.0007","2047.76","0.07","93","","93","","","","","","","","","5","P -1","-P 1","2","","TPPbeSi","","- C45 H46 N4 O2 Si3 -","- C45 H46 N4 O2 Si3 -","- C90 H92 N8 O4 Si6 -","2","1","","Sugita, Noriaki; Hayashi, Satoshi; Shibata, Masashi; Endo, Taiga; Noji, Masahiro; Takatori, Kazuhiko; Takanami, Toshikatsu","Regioselective β-silylation of porphyrins via iridium-catalyzed C-H bond activation.","Organic & biomolecular chemistry","2016","14","43","10189","10192","10.1039/c6ob02243j","","","1.54187","CuKα","","0.0731","0.0552","","","0.1527","0.1694","","","","","","1.115","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155342","7.2335","0.0018","10.875","0.003","14.08","0.004","69.0021","0.0018","89.6","0.002","73.302","0.002","984.7","0.5","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","Z2-52-2","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C40 H42 N2 O10 S2 -","2","1","","Zhang, Shuyao; Shan, Chuan; Zhang, Shuai; Yuan, Luye; Wang, Jianwu; Tung, Chen-Ho; Xing, Ling-Bao; Xu, Zhenghu","Breaking aziridines to construct morpholines with a gold(i)-catalyzed tandem ring-opening and cycloisomerization reaction.","Organic & biomolecular chemistry","2016","14","46","10973","10980","10.1039/c6ob02284g","","","0.71","MoKα","","0.0991","0.0792","","","0.2246","0.26","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155343","13.49","0.004","7.784","0.003","16.677","0.005","90","","105.231","0.003","90","","1689.7","1","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","1","","Zhang, Shuyao; Shan, Chuan; Zhang, Shuai; Yuan, Luye; Wang, Jianwu; Tung, Chen-Ho; Xing, Ling-Bao; Xu, Zhenghu","Breaking aziridines to construct morpholines with a gold(i)-catalyzed tandem ring-opening and cycloisomerization reaction.","Organic & biomolecular chemistry","2016","14","46","10973","10980","10.1039/c6ob02284g","","","0.71","MoKα","","0.1152","0.0507","","","0.0944","0.1166","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155344","5.3124","0.0004","7.0459","0.0008","29.215","0.002","90","","90","","90","","1093.54","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Butyl 2-deoxy-3,6-anhydro-beta-D-arabinohexofuranoside","","- C10 H18 O5 -","- C10 H18 O5 -","- C40 H72 O20 -","4","1","","Zhang, Chenxi; Wang, Chengcheng; Wang, Zihao; Tanabe, Genzoh; Muraoka, Osamu; Lin, Aijun; Xu, Jinyi; Wu, Xiaoming; Wu, Liang; Xie, Weijia","Total synthesis, structural elucidation and anti-inflammatory activity evaluation of 2-deoxy-3,6-anhydro hexofuranoside derivatives isolated from Sauropus rostratus.","Organic & biomolecular chemistry","2016","14","46","10906","10913","10.1039/c6ob02207c","","","1.54178","CuKα","","0.0602","0.06","","","0.1604","0.1604","","","","","","1.107","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155345","5.1901","0.0006","18.063","0.003","12.141","0.0013","90","","93.142","0.011","90","","1136.5","0.3","293.18","0.1","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-diphenyl-1,3,4-oxadiazole","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Zhang, Weigang; Su, Yingpeng; Chong, Siying; Wu, Lili; Cao, Guiyan; Huang, Danfeng; Wang, Ke-Hu; Hu, Yulai","Phenyliodonium diacetate mediated carbotrifluoromethylation of N-acylhydrazones.","Organic & biomolecular chemistry","2016","14","47","11162","11175","10.1039/c6ob02041k","","x-ray","0.71073","MoKα","","0.2476","0.0946","","","0.1585","0.2374","","","","","","0.981","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155346","5.7064","0.0005","17.0772","0.0013","14.1572","0.0009","90","","94.665","0.007","90","","1375.04","0.18","293.69","0.16","293.69","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N'-(2,2,2-Trifluoro-1-phenylethylidene)benzohydrazide","","- C15 H11 F3 N2 O -","- C15 H11 F3 N2 O -","- C60 H44 F12 N8 O4 -","4","1","","Zhang, Weigang; Su, Yingpeng; Chong, Siying; Wu, Lili; Cao, Guiyan; Huang, Danfeng; Wang, Ke-Hu; Hu, Yulai","Phenyliodonium diacetate mediated carbotrifluoromethylation of N-acylhydrazones.","Organic & biomolecular chemistry","2016","14","47","11162","11175","10.1039/c6ob02041k","","x-ray","0.71073","MoKα","","0.1181","0.0572","","","0.117","0.1527","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155347","10.237","0.0003","10.237","0.0003","16.675","0.0004","90","","90","","90","","1747.48","0.08","298","2","298","2","","","","","","","","5","P 41","P 4w","76","F-THENA","8-Fluoro-1,2,3,4-tetrahydro-1,4-epoxynaphthalene-1-carboxylic acid","","- C20 H20 F N O3 -","- C20 H20 F N O3 -","- C80 H80 F4 N4 O12 -","4","1","","Dolsophon, Kulvadee; Soponpong, Jakapun; Kornsakulkarn, Jittra; Thongpanchang, Chawanee; Prabpai, Samran; Kongsaeree, Palangpon; Thongpanchang, Tienthong","F-THENA: a chiral derivatizing agent for the determination of the absolute configuration of secondary aromatic alcohols with a self-validating system.","Organic & biomolecular chemistry","2016","14","46","11002","11012","10.1039/c6ob02255c","","x-ray","0.71073","MoKα","","0.046","0.0394","","","0.0905","0.0953","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155349","12.104","0.002","34.297","0.007","7.195","0.0014","90","","90","","90","","2986.9","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H54 O4 -","- C32 H54 O4 -","- C128 H216 O16 -","4","1","","Chen, Dongyin; Zhang, Pu; Sun, Yan; Wang, Pengfei; Zhang, Can; Kong, Lingyi; Zhang, Ji; Sun, Hongbin; Wen, Xiaoan","Protonated montmorillonite-mediated highly specific isomerization of oleanolic acid esters: application to the synthesis of Δ(13(18))-CDDO-Me.","Organic & biomolecular chemistry","2016","14","47","11154","11161","10.1039/c6ob02126c","","","0.71073","MoKα","","0.1422","0.0789","","","0.1635","0.1978","","","","","","1.006","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155350","11.943","0.002","5.5757","0.0011","27.176","0.006","90","","91.791","0.007","90","","1808.8","0.6","125","","125","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H28 F4 -","- C21 H28 F4 -","- C84 H112 F16 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","1.54187","CuKα","","0.0537","0.0516","","","0.1699","0.1727","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155351","27.34","0.02","5.534","0.004","12.092","0.011","90","","102.294","0.019","90","","1788","2","125","","125","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 F3 -","- C21 H29 F3 -","- C84 H116 F12 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","1.54187","CuKα","","0.1506","0.0909","","","0.2512","0.2943","","","","","","1.108","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155352","11.934","0.003","5.5818","0.0015","26.703","0.007","90","","90.656","0.006","90","","1778.7","0.8","173","","173","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H30 F2 -","- C21 H30 F2 -","- C84 H120 F8 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.2025","0.081","","","0.1331","0.1732","","","","","","1.019","","","","has coordinates,has disorder","301861","2025-08-22","11:12:29",""
"7155353","5.3032","0.0006","25.832","0.003","13.1164","0.0017","90","","97.667","0.003","90","","1780.8","0.4","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 F -","- C21 H31 F -","- C84 H124 F4 -","4","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.065","0.0532","","","0.1468","0.1545","","","","","","1.067","","","","has coordinates,has disorder","301861","2025-08-22","11:12:29",""
"7155354","5.4875","0.0006","9.8366","0.0009","16.6611","0.0015","79.139","0.011","84.202","0.015","79.462","0.015","866.27","0.16","124","","124","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","1.54187","CuKα","","0.057","0.0535","","","0.1604","0.1621","","","","","","1.145","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155355","10.07","0.003","15.616","0.004","17.611","0.004","94.94","0.007","91.272","0.006","95.758","0.007","2743.8","1.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 F8 O6 S2 -","- C23 H28 F8 O6 S2 -","- C92 H112 F32 O24 S8 -","4","2","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.2105","0.0963","","","0.2277","0.2772","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155356","44.56","0.017","5.5896","0.0015","26.277","0.01","90","","124.357","0.007","90","","5403","3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 F8 O6 S2 -","- C23 H28 F8 O6 S2 -","- C184 H224 F64 O48 S16 -","8","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.1467","0.0648","","","0.1275","0.1673","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155357","5.4268","0.0008","10.7827","0.0015","19.506","0.003","78.369","0.006","82.27","0.007","79.893","0.006","1094.8","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 F5 O3 S -","- C22 H27 F5 O3 S -","- C44 H54 F10 O6 S2 -","2","1","","Al-Maharik, Nawaf; Kirsch, Peer; Slawin, Alexandra M. Z.; Cordes, David B.; O'Hagan, David","Fluorinated liquid crystals: evaluation of selectively fluorinated facially polarised cyclohexyl motifs for liquid crystal applications.","Organic & biomolecular chemistry","2016","14","42","9974","9980","10.1039/c6ob01986b","","","0.71075","MoKα","","0.0495","0.0434","","","0.1159","0.1317","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155358","10.672","0.002","7.6389","0.0014","36.525","0.007","90","","92.495","0.003","90","","2974.8","1","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 N2 O -","- C21 H12 N2 O -","- C168 H96 N16 O8 -","8","2","","Hu, Fangdong; Liu, Huanhuan; Jia, Jiong; Ma, Chen","Transition-metal-free synthesis of indole-fused dibenzo[b,f][1,4]oxazepines via Smiles rearrangement.","Organic & biomolecular chemistry","2016","14","47","11076","11079","10.1039/c6ob02098d","","","0.71","MoKα","","0.1038","0.0659","","","0.0937","0.1034","","","","","","1.091","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155359","9.05634","0.00018","11.2038","0.0002","30.5045","0.0005","90","","90","","90","","3095.15","0.1","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Br N2 O7 S -","- C28 H35 Br N2 O7 S -","- C112 H140 Br4 N8 O28 S4 -","4","1","","Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","Organocatalyzed enantioselective Michael addition/cyclization cascade reaction of 3-isothiocyanato oxindoles with arylidene malonates.","Organic & biomolecular chemistry","2016","14","47","11250","11260","10.1039/c6ob02104b","","x-ray","1.54184","CuKα","","0.0622","0.0542","","","0.1486","0.1603","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155361","11.9878","0.0006","13.1429","0.0007","14.8309","0.0008","72.229","0.002","86.297","0.002","66.705","0.002","2039.57","0.19","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 Br O3 -","- C24 H25 Br O3 -","- C96 H100 Br4 O12 -","4","2","","Roselli, Christina A.; Gagné, Michel R","Gold(i)-catalyzed addition of aldehydes to cyclopropylidene bearing 6-aryl-1,5-enynes.","Organic & biomolecular chemistry","2016","14","47","11261","11265","10.1039/c6ob02128j","","","1.54178","CuKα","","0.0283","0.0262","","","0.066","0.0674","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155362","14.369","0.002","15.522","0.003","20.704","0.004","87.071","0.002","81.557","0.002","64.601","0.002","4125.8","1.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","epoxy_ingenol derivative","","- C39 H59 Br O7 Si2 -","- C39 H59 Br O7 Si2 -","- C156 H236 Br4 O28 Si8 -","4","2","","Ohyoshi, Takayuki; Tamura, Yuki; Hayakawa, Ichiro; Hirai, Go; Miyazawa, Yamato; Funakubo, Shota; Sodeoka, Mikiko; Kigoshi, Hideo","Total synthesis of natural derivatives and artificial analogs of 13-oxyingenol and their biological evaluation.","Organic & biomolecular chemistry","2016","14","48","11426","11437","10.1039/c6ob02268e","","","0.71073","MoKα","","0.2126","0.1423","","","0.3578","0.4093","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155363","17.1553","0.0007","11.3125","0.0004","19.1705","0.0007","90","","90","","90","","3720.4","0.2","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-(5-Cyano-1<i>H</i>-indol-1-yl)indolo[2,1-<i>a</i>]isoquinoline-10-carbonitrile","","- C26 H14 N4 -","- C26 H14 N4 -","- C208 H112 N32 -","8","1","","Ausekle, Elina; Ejaz, Syeda Abida; Khan, Shafi Ullah; Ehlers, Peter; Villinger, Alexander; Lecka, Joanna; Sévigny, Jean; Iqbal, Jamshed; Langer, Peter","New one-pot synthesis of N-fused isoquinoline derivatives by palladium-catalyzed C-H arylation: potent inhibitors of nucleotide pyrophosphatase-1 and -3.","Organic & biomolecular chemistry","2016","14","48","11402","11414","10.1039/c6ob02236g","","","0.71073","MoKα","","0.0897","0.0497","","","0.1019","0.1223","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155364","5.4842","0.0015","15.284","0.004","16.885","0.005","90","","90","","90","","1415.3","0.7","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-1-bromo-4-(2-nitro-1-(p-tolyl)ethyl)benzene","","- C15 H14 Br N O2 -","- C15 H14 Br N O2 -","- C60 H56 Br4 N4 O8 -","4","1","","Li, Ruikun; Wen, Zhongqing; Wu, Na","A nordehydroabietyl amide-containing chiral diene for rhodium-catalysed asymmetric arylation to nitroolefins.","Organic & biomolecular chemistry","2016","14","47","11080","11084","10.1039/c6ob02202b","","","0.71073","MoKα","","0.0521","0.0356","","","0.0811","0.0881","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155365","9.9971","0.0002","10.9922","0.0002","18.9189","0.0003","90","","93.6089","0.001","90","","2074.88","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SKL-20150205","","","- C21 H22 N O5 S -","- C21 H22 N O5 S -","- C84 H88 N4 O20 S4 -","4","1","","Jeon, Hyun Ji; Kwak, Mi Soo; Jung, Da Jung; Bouffard, Jean; Lee, Sang-Gi","Synthesis of α-methylene-δ-oxo-γ-amino esters via Rh(ii)-catalyzed coupling of 1-sulfonyl-1,2,3-triazoles with Morita-Baylis-Hillman adducts.","Organic & biomolecular chemistry","2016","14","47","11238","11243","10.1039/c6ob02086k","","","0.71073","","","0.0968","0.0532","","","0.1266","0.148","","","","","","1.038","","","","has coordinates","190274","2020-10-21","18:00:00",""
"7155366","9.1944","0.0008","10.833","0.0009","13.2249","0.0012","70.003","0.004","83.089","0.004","89.062","0.004","1228.4","0.19","170","2","170","2","","","","","","","","5","P -1","-P 1","2","HG-01","","","- C27 H27 N O5 S -","- C27 H27 N O5 S -","- C54 H54 N2 O10 S2 -","2","1","","Jeon, Hyun Ji; Kwak, Mi Soo; Jung, Da Jung; Bouffard, Jean; Lee, Sang-Gi","Synthesis of α-methylene-δ-oxo-γ-amino esters via Rh(ii)-catalyzed coupling of 1-sulfonyl-1,2,3-triazoles with Morita-Baylis-Hillman adducts.","Organic & biomolecular chemistry","2016","14","47","11238","11243","10.1039/c6ob02086k","","","0.71073","","","0.1087","0.0892","","","0.1579","0.1674","","","","","","1.167","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155367","16.3439","0.0005","5.9484","0.0002","12.9762","0.0005","90","","90","","90","","1261.55","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Piens, Nicola; De Craene, Sven; Franceus, Jorick; Mollet, Karen; Van Hecke, Kristof; Desmet, Tom; D'hooghe, Matthias","Diastereoselective synthesis of 3-acetoxy-4-(3-aryloxiran-2-yl)azetidin-2-ones and their transformation into 3,4-oxolane-fused bicyclic β-lactams.","Organic & biomolecular chemistry","2016","14","47","11279","11288","10.1039/c6ob02221a","","x-ray","1.54184","CuKα","","0.0376","0.0326","","","0.0781","0.082","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7155368","6.769","0.0004","17.4058","0.0007","26.8238","0.0009","94.767","0.003","94.714","0.004","99.371","0.004","3092.7","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","4","","Piens, Nicola; De Craene, Sven; Franceus, Jorick; Mollet, Karen; Van Hecke, Kristof; Desmet, Tom; D'hooghe, Matthias","Diastereoselective synthesis of 3-acetoxy-4-(3-aryloxiran-2-yl)azetidin-2-ones and their transformation into 3,4-oxolane-fused bicyclic β-lactams.","Organic & biomolecular chemistry","2016","14","47","11279","11288","10.1039/c6ob02221a","","x-ray","1.54184","CuKα","","0.1012","0.0617","","","0.1417","0.1754","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:12:29",""
"7157219","7.2732","0.0009","18.924","0.002","31.436","0.004","90","","90","","90","","4326.8","0.9","200","2","200","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H23 B N2 O2 -","- C23 H23 B N2 O2 -","- C184 H184 B8 N16 O16 -","8","0.5","","Shimomura, N.; Egawa, Y.; Miki, R.; Fujihara, T.; Ishimaru, Y.; Seki, T.","A red fluorophore comprising a borinate-containing xanthene analogue as a polyol sensor.","Organic & biomolecular chemistry","2016","14","42","10031","10036","10.1039/c6ob01695b","","","0.71073","MoKα","","0.0778","0.0655","","","0.1889","0.1962","","","","","","1.138","","","","has coordinates","234777","2020-10-21","18:00:00",""
"7204689","18.4262","0.0011","20.7941","0.0012","21.1986","0.0012","90","","90","","90","","8122.4","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H71 Hf N O4 Si4 -","- C28 H71 Hf N O4 Si4 -","- C224 H568 Hf8 N8 O32 Si32 -","8","1","","Roberts, John L.; Marshall, Paul A.; Jones, Anthony C.; Chalker, Paul R.; Bickley, Jamie F.; Williams, Paul A.; Taylor, Stephen; Smith, Lesley M.; Critchlow, Gary W.; Schumacher, Marcus; Lindner, Johannes","Deposition of hafnium silicate films by liquid injection MOCVD using a single source or dual source approach","Journal of Materials Chemistry","2004","14","3","391","","10.1039/b305665c","","","0.71073","MoKα","","0.0475","0.0272","","","0.0586","0.0644","","","","","","1.02","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204694","9.814","0.003","11.804","0.003","12.086","0.003","69.327","0.004","85.781","0.004","70.693","0.004","1234.8","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H37 Co O8 Ta -","- C17 H27 Co O8 Ta -","- C34 H54 Co2 O16 Ta2 -","2","1","","Werndrup, Pia; Verdenelli, Martine; Chassagneux, Fernand; Parola, Stephane; Kessler, Vadim G.","Powders and dense thin films of late transition metal oxide nanocomposites from structurally characterized single-source precursorsElectronic supplementary information (ESI) available: further figures and crystallographic details. See http://www.rsc.org/suppdata/jm/b3/b306282a/","Journal of Materials Chemistry","2004","14","3","344","","10.1039/b306282a","","","0.71073","MoKα","","0.0818","0.0605","","","0.1312","0.1351","","","","","","0.868","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204695","8.47","0.002","14.687","0.004","14.815","0.004","90","","90.047","0.005","90","","1843","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H27 O6 Ta -","- C13 H27 O6 Ta -","- C52 H108 O24 Ta4 -","4","1","","Werndrup, Pia; Verdenelli, Martine; Chassagneux, Fernand; Parola, Stephane; Kessler, Vadim G.","Powders and dense thin films of late transition metal oxide nanocomposites from structurally characterized single-source precursorsElectronic supplementary information (ESI) available: further figures and crystallographic details. See http://www.rsc.org/suppdata/jm/b3/b306282a/","Journal of Materials Chemistry","2004","14","3","344","","10.1039/b306282a","","","0.71073","MoKα","","0.1078","0.0514","","","0.1177","0.1323","","","","","","0.941","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204724","5.521","0.0008","11.8274","0.0017","5.525","0.0008","90","","107.257","0.002","90","","344.54","0.09","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Lanthanum antimony oxide","","- La O9 Sb3 -","- La O9 Sb3 -","- La2 O18 Sb6 -","2","0.5","","Ok, Kang Min; Gittens, Alex; Zhang, Lei; Halasyamani, P. Shiv","Synthesis, structure and characterization of two new antimony oxides?LaSb3O9 and LaSb5O12: Formation of LaSb5O12 from the reaction of LaSb3O9 with Sb2O3Electronic supplementary information (ESI) available: Powder X-ray diffraction patterns (calculated and experimental). See http://www.rsc.org/suppdata/jm/b3/b307496j/","Journal of Materials Chemistry","2004","14","1","116","","10.1039/b307496j","","","0.71073","MoKα","","0.0484","0.0475","","","0.135","0.1357","","","","","","1.304","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204725","7.2707","0.0007","7.2707","0.0007","16.4673","0.0012","90","","90","","120","","753.89","0.12","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lanthanum antimony oxide","","- La O12 Sb5 -","- La O12 Sb5 -","- La3 O36 Sb15 -","3","0.0833333","","Ok, Kang Min; Gittens, Alex; Zhang, Lei; Halasyamani, P. Shiv","Synthesis, structure and characterization of two new antimony oxides?LaSb3O9 and LaSb5O12: Formation of LaSb5O12 from the reaction of LaSb3O9 with Sb2O3Electronic supplementary information (ESI) available: Powder X-ray diffraction patterns (calculated and experimental). See http://www.rsc.org/suppdata/jm/b3/b307496j/","Journal of Materials Chemistry","2004","14","1","116","","10.1039/b307496j","","","0.71073","MoKα","","0.023","0.023","","","0.0596","0.0596","","","","","","1.481","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204736","15.013","0.001","9.462","0.001","13.355","0.001","90","","109.64","0.01","90","","1786.7","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","AcOPM-BTTF","4-(4-acetoxyphenyl)-5-methyl-4',5'benzotetrathiafulvalene","","- C19 H14 O2 S4 -","- C19 H14 O2 S4 -","- C76 H56 O8 S16 -","4","1","","Kaboub, Lakhemici; Legros, Jean-Pierre; Donnadieu, Bruno; Gouasmia, Abdel-Krim; Boudiba, Louiza; Fabre, Jean-Marc","Structural study and electrical conductivity of salts based on functionalized TTF containing peripheral selenium atomsElectronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams and a table of selected torsion angles for Ic?e and (Ic)2?TCNQ. See http://www.rsc.org/suppdata/jm/b3/b308514g/","Journal of Materials Chemistry","2004","14","3","351","","10.1039/b308514g","","","0.71073","MoKα","","0.0545","0.0503","","","0.1332","0.138","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204737","6.641","0.002","23.033","0.005","13.83","0.003","90","","101.19","0.02","90","","2075.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","AcOPM-PDSTTF","4-(4-acetoxyphenyl)-5-methyl-4',5'propylenediselenotetrathiafulvalene","","- C18 H16 O2 S4 Se2 -","- C18 H16 O2 S4 Se2 -","- C72 H64 O8 S16 Se8 -","4","1","","Kaboub, Lakhemici; Legros, Jean-Pierre; Donnadieu, Bruno; Gouasmia, Abdel-Krim; Boudiba, Louiza; Fabre, Jean-Marc","Structural study and electrical conductivity of salts based on functionalized TTF containing peripheral selenium atomsElectronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams and a table of selected torsion angles for Ic?e and (Ic)2?TCNQ. See http://www.rsc.org/suppdata/jm/b3/b308514g/","Journal of Materials Chemistry","2004","14","3","351","","10.1039/b308514g","","","0.71069","MoKα","","0.1229","0.0325","","","0.0995","0.1262","","","","","","0.964","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204738","10.453","0.001","17.267","0.002","11.518","0.001","90","","112.1","0.01","90","","1926.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","AcOPM-EDSTTF","4-(4-acetoxyphenyl)-5-methyl-4',5'ethylenediselenotetrathiafulvalene","","- C17 H14 O2 S4 Se2 -","- C17 H14 O2 S4 Se2 -","- C68 H56 O8 S16 Se8 -","4","1","","Kaboub, Lakhemici; Legros, Jean-Pierre; Donnadieu, Bruno; Gouasmia, Abdel-Krim; Boudiba, Louiza; Fabre, Jean-Marc","Structural study and electrical conductivity of salts based on functionalized TTF containing peripheral selenium atomsElectronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams and a table of selected torsion angles for Ic?e and (Ic)2?TCNQ. See http://www.rsc.org/suppdata/jm/b3/b308514g/","Journal of Materials Chemistry","2004","14","3","351","","10.1039/b308514g","","","0.71073","MoKα","","0.047","0.0357","","","0.095","0.0998","","","","","","1.1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204739","30.154","0.008","4.052","0.004","39.317","0.009","90","","91.4","0.03","90","","4802","5","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","(AcOPM-EDSTTF)2-TCNQ","","","- C23 H16 N2 O2 S4 Se2 -","- C23 H16 N2 O2 S4 Se2 -","- C184 H128 N16 O16 S32 Se16 -","8","1","","Kaboub, Lakhemici; Legros, Jean-Pierre; Donnadieu, Bruno; Gouasmia, Abdel-Krim; Boudiba, Louiza; Fabre, Jean-Marc","Structural study and electrical conductivity of salts based on functionalized TTF containing peripheral selenium atomsElectronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams and a table of selected torsion angles for Ic?e and (Ic)2?TCNQ. See http://www.rsc.org/suppdata/jm/b3/b308514g/","Journal of Materials Chemistry","2004","14","3","351","","10.1039/b308514g","","","0.71073","MoKα","","0.1119","0.0484","","","0.1073","0.1309","","","","","","1.028","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204744","8.0797","0.0018","14.555","0.003","28.575","0.007","90","","90","","90","","3360.4","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Zinc phosphate","","","- C3 H14 N2 O11 P2 Zn -","- C3 H14 N2 O11 P2 Zn -","- C24 H112 N16 O88 P16 Zn8 -","8","1","","Neeraj, S.; Rao, C. N. R.; Cheetham, Anthony K.","Open-framework zinc and cobalt phosphates synthesized by the tributylphosphate routeElectronic supplementary information (ESI) available: Tables S1?16: Atomic coordinates, equivalent isotropic displacement parameters and bond lengths and angles for compounds I?VII. See http://www.rsc.org/suppdata/jm/b3/b311529a/","Journal of Materials Chemistry","2004","14","5","814","","10.1039/b311529a","","","0.71073","MoKα","","0.1858","0.1024","","","0.2678","0.331","","","","","","1.003","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204745","20.7603","0.0012","5.2207","0.0003","17.9147","0.001","90","","90","","90","","1941.65","0.19","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Zinc Phosphate","","","- C4 H16 N2 O17 P4 Zn5 -","- C4 H15 N2 O17 P4 Zn5 -","- C16 H60 N8 O68 P16 Zn20 -","4","1","","Neeraj, S.; Rao, C. N. R.; Cheetham, Anthony K.","Open-framework zinc and cobalt phosphates synthesized by the tributylphosphate routeElectronic supplementary information (ESI) available: Tables S1?16: Atomic coordinates, equivalent isotropic displacement parameters and bond lengths and angles for compounds I?VII. See http://www.rsc.org/suppdata/jm/b3/b311529a/","Journal of Materials Chemistry","2004","14","5","814","","10.1039/b311529a","","","0.71073","MoKα","","0.039","0.0353","","","0.0818","0.0832","","","","","","1.017","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204746","5.04","0.0009","9.584","0.003","13.117","0.002","101.094","0.019","100.931","0.019","103.598","0.018","585.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Zinc Phosphate","","","- H2 N0.5 O13 P3 Zn4 -","- N0.5 O13 P3 Zn4 -","- N O26 P6 Zn8 -","2","1","","Neeraj, S.; Rao, C. N. R.; Cheetham, Anthony K.","Open-framework zinc and cobalt phosphates synthesized by the tributylphosphate routeElectronic supplementary information (ESI) available: Tables S1?16: Atomic coordinates, equivalent isotropic displacement parameters and bond lengths and angles for compounds I?VII. See http://www.rsc.org/suppdata/jm/b3/b311529a/","Journal of Materials Chemistry","2004","14","5","814","","10.1039/b311529a","","","0.71073","MoKα","","0.0495","0.0456","","","0.1204","0.1228","","","","","","1.134","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204747","11.939","0.002","13.803","0.003","7.9473","0.0015","90","","91.514","0.003","90","","1309.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cobalt Phosphate","","","- C3 H9 Co0.5 N O4 P -","- C3 H9 Co0.5 N O4 P -","- C24 H72 Co4 N8 O32 P8 -","8","1","","Neeraj, S.; Rao, C. N. R.; Cheetham, Anthony K.","Open-framework zinc and cobalt phosphates synthesized by the tributylphosphate routeElectronic supplementary information (ESI) available: Tables S1?16: Atomic coordinates, equivalent isotropic displacement parameters and bond lengths and angles for compounds I?VII. See http://www.rsc.org/suppdata/jm/b3/b311529a/","Journal of Materials Chemistry","2004","14","5","814","","10.1039/b311529a","","","0.71073","MoKα","","0.0384","0.0343","","","0.1059","0.1078","","","","","","1.134","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204748","7.2743","0.0018","23.03","0.006","9.873","0.002","90","","93.131","0.004","90","","1651.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cobalt Phosphate","","","- C6 H21 Co2 N3 O13 P3 -","- C6 H21 Co2 N3 O13 P3 -","- C24 H84 Co8 N12 O52 P12 -","4","1","","Neeraj, S.; Rao, C. N. R.; Cheetham, Anthony K.","Open-framework zinc and cobalt phosphates synthesized by the tributylphosphate routeElectronic supplementary information (ESI) available: Tables S1?16: Atomic coordinates, equivalent isotropic displacement parameters and bond lengths and angles for compounds I?VII. See http://www.rsc.org/suppdata/jm/b3/b311529a/","Journal of Materials Chemistry","2004","14","5","814","","10.1039/b311529a","","","0.71073","MoKα","","0.0727","0.0501","","","0.1348","0.1464","","","","","","1.03","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204749","9.422","0.0009","9.5705","0.0009","9.931","0.001","90","","90","","90","","895.51","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Al2 H10 N2 O10 P2 -","- Al2 H6 N O11 P2 -","- Al8 H24 N4 O44 P8 -","4","1","","M. Eloísa Medina; M. Iglesias; E. Gutiérrez-Puebla; M. Angeles Monge","Solvothermal synthesis and structural relations among three anionic aluminophosphates; catalytic behaviour","J. Mater. Chem.","2004","14","5","845","850","10.1039/b311618b","","","0.71073","MoKα","","0.0395","0.0351","","","0.0842","0.0852","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204750","13.261","0.003","10.255","0.002","8.8627","0.0019","90","","111.407","0.004","90","","1122.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Al2 H12 N3 O12 P3 -","- Al2 H12 N3 O12 P3 -","- Al8 H48 N12 O48 P12 -","4","0.5","","M. Eloísa Medina; M. Iglesias; E. Gutiérrez-Puebla; M. Angeles Monge","Solvothermal synthesis and structural relations among three anionic aluminophosphates; catalytic behaviour","J. Mater. Chem.","2004","14","5","845","850","10.1039/b311618b","","","0.71073","MoKα","","0.1375","0.0722","","","0.1237","0.1433","","","","","","0.975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204751","8.9998","0.0009","9.979","0.001","11.1099","0.0011","90","","90.645","0.002","90","","997.71","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al H12 N3 O8 P2 -","- Al H12 N3 O8 P2 -","- Al4 H48 N12 O32 P8 -","4","1","","M. Eloísa Medina; M. Iglesias; E. Gutiérrez-Puebla; M. Angeles Monge","Solvothermal synthesis and structural relations among three anionic aluminophosphates; catalytic behaviour","J. Mater. Chem.","2004","14","5","845","850","10.1039/b311618b","","","0.71073","MoKα","","0.0889","0.0579","","","0.1333","0.1406","","","","","","0.892","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204753","14.0717","0.0011","14.7803","0.0008","17.3186","0.0012","114.918","0.004","92.242","0.006","115.042","0.005","2854.1","0.4","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H84 Ag3 N3 P6 Se6 -","- C36 H84 Ag3 N3 P6 Se6 -","- C72 H168 Ag6 N6 P12 Se12 -","2","1","","Afzaal, Mohammad; Crouch, David J.; O'Brien, Paul; Raftery, James; Skabara, Peter J.; White, Andrew J. P.; Williams, David J.","The synthesis, X-ray structures and CVD studies of some group 11 complexes of iminobis(diisopropylphosphine selenides) and their use in the deposition of I/III/VI photovoltaic materials","Journal of Materials Chemistry","2004","14","2","233","","10.1039/b311743j","","","0.71073","MoKα","","0.061","0.0382","","0.0922","0.0763","","","","1.009","1.061","1.061","","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204754","13.178","0.008","30.108","0.017","14.691","0.009","90","","109.423","0.012","90","","5497","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H84 Cu3 N3 P6 Se6 -","- C36 H84 Cu3 N3 P6 Se6 -","- C144 H336 Cu12 N12 P24 Se24 -","4","1","","Afzaal, Mohammad; Crouch, David J.; O'Brien, Paul; Raftery, James; Skabara, Peter J.; White, Andrew J. P.; Williams, David J.","The synthesis, X-ray structures and CVD studies of some group 11 complexes of iminobis(diisopropylphosphine selenides) and their use in the deposition of I/III/VI photovoltaic materials","Journal of Materials Chemistry","2004","14","2","233","","10.1039/b311743j","","","0.71073","MoKα","","0.1082","0.0531","","","0.1016","0.1134","","","","","","0.74","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204755","18.2135","0.0011","19.0174","0.0011","22.9457","0.0013","67.153","0.001","67.873","0.001","62.286","0.001","6293.9","0.6","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C77 H133 Cd11 N10 O2 Te19 Zn5 -","- C77 Cd11 N10 O2 Te19 Zn5 -","- C154 Cd22 N20 O4 Te38 Zn10 -","2","1","","DeGroot, Marty W.; Taylor, Nicholas J.; Corrigan, John F.","Molecular nanocluster analogues of CdSe/ZnSe and CdTe/ZnTe core/shell nanoparticles","Journal of Materials Chemistry","2004","14","4","654","","10.1039/b312297b","","","0.71073","MoKα","","0.1304","0.0685","","","0.1199","0.1336","","","","","","1.13","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204756","17.3933","0.0014","36.592","0.003","46.151","0.004","90","","90","","90","","29373","4","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C86 H150 Cd11 N10 O5 Se19 Zn5 -","- C86 Cd11 N10 O5 Se19 Zn5 -","- C688 Cd88 N80 O40 Se152 Zn40 -","8","1","","DeGroot, Marty W.; Taylor, Nicholas J.; Corrigan, John F.","Molecular nanocluster analogues of CdSe/ZnSe and CdTe/ZnTe core/shell nanoparticles","Journal of Materials Chemistry","2004","14","4","654","","10.1039/b312297b","","","0.71073","MoKα","","0.1625","0.0927","","","0.2018","0.2183","","","","","","1.176","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204757","8.0312","0.0016","12.13","0.002","20.777","0.004","102.29","0.03","99.88","0.03","100.13","0.03","1900.3","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(EDT-TTF-I2)2, PbI3, H20","Bis(3,4-diiodo-3',4'-ethylenedithiotetrathiafulvalene), triiodolead(II), water","","- C8 H4 I3.5 O0.5 Pb0.5 S6 -","- C8 H4 I3.5 O0.5 Pb0.5 S6 -","- C32 H16 I14 O2 Pb2 S24 -","4","2","","Devic, Thomas; Canadell, Enric; Auban-Senzier, Pascale; Batail, Patrick","(EDT-TTF-I2)2PbI3�H2O: an ambient pressure metal with a ?? donor slab topologyElectronic supplementary information (ESI) available: indexed X-ray powder diagram and chemical analysis results for [(C2H5)4N]PbI3. See http://www.rsc.org/suppdata/jm/b3/b312493b/","Journal of Materials Chemistry","2004","14","2","135","","10.1039/b312493b","","","0.71073","MoKα","","0.0496","0.0332","","","0.0765","0.0807","","","","","","0.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204758","20.796","0.002","9.7845","0.0011","25.62","0.003","90","","102.013","0.013","90","","5099","1","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H84 N4 Nb2 O12 Sr -","- C34 H84 N4 Nb2 O12 Sr -","- C136 H336 N16 Nb8 O48 Sr4 -","4","1","","Jones, Anthony C.; Tobin, Neil L.; Marshall, Paul A.; Potter, Richard J.; Chalker, Paul R.; Bickley, Jamie F.; Davies, Hywel O.; Smith, Lesley M.; Critchlow, Gary W.","Synthesis and characterisation of four new heterometal alkoxides: potential precursors for the MOCVD of ferroelectric oxides","Journal of Materials Chemistry","2004","14","5","887","","10.1039/b312697h","","","0.71073","MoKα","","0.1507","0.0594","","","0.1213","0.1356","","","","","","0.847","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204759","14.997","0.0019","16.743","0.003","19.587","0.002","90","","90","","90","","4918.2","1.2","213","2","213","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H82 N2 Nb2 O14 Sr -","- C32 H82 N2 Nb2 O14 Sr -","- C128 H328 N8 Nb8 O56 Sr4 -","4","0.5","","Jones, Anthony C.; Tobin, Neil L.; Marshall, Paul A.; Potter, Richard J.; Chalker, Paul R.; Bickley, Jamie F.; Davies, Hywel O.; Smith, Lesley M.; Critchlow, Gary W.","Synthesis and characterisation of four new heterometal alkoxides: potential precursors for the MOCVD of ferroelectric oxides","Journal of Materials Chemistry","2004","14","5","887","","10.1039/b312697h","","","0.71073","MoKα","","0.119","0.0503","","","0.1088","0.1276","","","","","","0.743","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204760","11.7669","0.0012","15.9611","0.0015","16.197","0.0016","61.296","0.002","81.524","0.002","78.748","0.002","2611.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H90 N2 O12 Sr Ta2 -","- C38 H90 N2 O12 Sr Ta2 -","- C76 H180 N4 O24 Sr2 Ta4 -","2","1","","Jones, Anthony C.; Tobin, Neil L.; Marshall, Paul A.; Potter, Richard J.; Chalker, Paul R.; Bickley, Jamie F.; Davies, Hywel O.; Smith, Lesley M.; Critchlow, Gary W.","Synthesis and characterisation of four new heterometal alkoxides: potential precursors for the MOCVD of ferroelectric oxides","Journal of Materials Chemistry","2004","14","5","887","","10.1039/b312697h","","","0.71073","MoKα","","0.0507","0.047","","","0.1278","0.133","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204762","14.973","0.002","9.9024","0.0016","20.581","0.003","90","","109.379","0.002","90","","2878.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 N2 Pb S4 -","- C26 H44 N2 Pb S4 -","- C104 H176 N8 Pb4 S16 -","4","1","","Afzaal, Mohammad; Ellwood, Katie; Pickett, Nigel L.; O'Brien, Paul; Raftery, Jim; Waters, John","Growth of lead chalcogenide thin films using single-source precursors","Journal of Materials Chemistry","2004","14","8","1310","","10.1039/b313063k","","","0.71073","MoKα","","0.0264","0.0243","","","0.0558","0.0569","","","","","","1.055","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204763","15.4819","0.0014","9.9772","0.0009","36.422","0.003","90","","97.51","0.002","90","","5577.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H88 N4 Pb2 S8 -","- C44 H88 N4 Pb2 S8 -","- C176 H352 N16 Pb8 S32 -","4","1","","Afzaal, Mohammad; Ellwood, Katie; Pickett, Nigel L.; O'Brien, Paul; Raftery, Jim; Waters, John","Growth of lead chalcogenide thin films using single-source precursors","Journal of Materials Chemistry","2004","14","8","1310","","10.1039/b313063k","","","0.71073","MoKα","","0.0902","0.066","","","0.1448","0.1545","","","","","","1.121","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204764","12.667","0.006","4.874","0.005","22.85","0.01","90","","103.26","0.03","90","","1373.1","1.7","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O2 S3 -","- C13 H11 N O2 S3 -","- C52 H44 N4 O8 S12 -","4","1","","Bruno Jousselme; Philippe Blanchard; Maïtena Oçafrain; Magali Allain; Eric Levillain; Jean Roncali","Electrogenerated poly(thiophenes) derivatized by bipyridine ligands and metal complexes","J. Mater. Chem.","2004","14","3","421","427","10.1039/b313291a","","","0.71073","Mo-Kα","","0.133","0.043","","0.097","","0.057","","","1.625","","","1.051","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204765","11.679","0.007","7.704","0.002","16.835","0.004","90","","93.35","0.04","90","","1512.1","1.1","294","","294","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H24 N2 O4 S6 -","- C32 H24 N2 O4 S6 -","- C64 H48 N4 O8 S12 -","2","0.5","","Bruno Jousselme; Philippe Blanchard; Maïtena Oçafrain; Magali Allain; Eric Levillain; Jean Roncali","Electrogenerated poly(thiophenes) derivatized by bipyridine ligands and metal complexes","J. Mater. Chem.","2004","14","3","421","427","10.1039/b313291a","","","0.71073","Mo-Kα","","0.076","0.04","","0.072","0.056","","","","1.431","1.179","1.179","","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204769","6.0939","0.0013","7.5286","0.0015","12.491","0.003","85.554","0.006","86.479","0.006","84.095","0.006","567.5","0.2","160","2","160","2","","","","","","","","3","P -1","-P 1","2","","Tolan Perfluorotolan 1:1 molecular complex","","- C28 H10 F10 -","- C28 H10 F10 -","- C28 H10 F10 -","1","0.5","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans","Journal of Materials Chemistry","2004","14","3","413","420","10.1039/b314094f","","","0.71073","MoKα","","0.0961","0.0675","","0.1782","","0.164","","","0.947","","","1.128","","","","has coordinates","297167","2025-01-07","09:49:10",""
"7204770","6.1305","0.001","7.2444","0.0012","12.754","0.002","85.229","0.004","84.793","0.004","85.766","0.004","560.88","0.16","160","2","160","2","","","","","","","","3","P -1","-P 1","2","","1-(pentafluorophenyl)-2-phenylacetylene","","- C14 H5 F5 -","- C14 H5 F5 -","- C28 H10 F10 -","2","1","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans","Journal of Materials Chemistry","2004","14","3","413","420","10.1039/b314094f","","","0.71073","MoKα","","0.0971","0.0623","","0.1767","","0.1584","","","1.059","","","1.213","","","","has coordinates","297167","2025-01-07","09:49:17",""
"7204771","7.413","0.002","12.941","0.005","12.868","0.005","90","","100.85","0.02","90","","1212.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-methoxytetrafluorophenyl)-2-phenylacetylene","","- C15 H8 F4 O -","- C15 H8 F4 O -","- C60 H32 F16 O4 -","4","1","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans","Journal of Materials Chemistry","2004","14","3","413","420","10.1039/b314094f","","","1.54178","CuKα","","0.0596","0.0542","","","0.143","0.1488","","","","","","1.102","","","","has coordinates","297167","2025-01-07","09:49:18",""
"7204772","7.752","0.002","8.652","0.002","11.119","0.003","98.57","0.01","108.81","0.01","92.06","0.01","695.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(4-n-propoxytetrafluorophenyl)-2-phenylacetylene","","- C17 H12 F4 O -","- C17 H12 F4 O -","- C34 H24 F8 O2 -","2","1","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans","Journal of Materials Chemistry","2004","14","3","413","420","10.1039/b314094f","","","0.71073","MoKα","","0.0448","0.0403","","","0.1101","0.1154","","","","","","1.041","","","","has coordinates","297167","2025-01-07","09:49:18",""
"7204773","6.1278","0.0015","15.444","0.004","15.382","0.003","90","","97.35","0.02","90","","1443.8","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-iso-propoxytetrafluorophenyl)-2-phenylacetylene","","- C17 H12 F4 O -","- C17 H12 F4 O -","- C68 H48 F16 O4 -","4","1","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans","Journal of Materials Chemistry","2004","14","3","413","420","10.1039/b314094f","","","1.54178","CuKα","","0.0503","0.0415","","","0.1219","0.1303","","","","","","1.074","","","","has coordinates","297167","2025-01-07","09:49:27",""
"7204774","8.514","0.001","10.454","0.002","10.6","0.002","63.225","0.002","76.621","0.003","85.017","0.003","819.3","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1-(4-n-pentoxytetrafluorophenyl)-2-phenylacetylene","","- C19 H16 F4 O -","- C19 H16 F4 O -","- C38 H32 F8 O2 -","2","1","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans","Journal of Materials Chemistry","2004","14","3","413","420","10.1039/b314094f","","","0.71073","MoKα","","0.0627","0.0468","","","0.1155","0.1275","","","","","","1.042","","","","has coordinates","297167","2025-01-07","09:49:27",""
"7204775","7.918","0.002","5.777","0.002","35.872","0.009","90","","94.32","0.01","90","","1636.2","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(4-tolyloxytetrafluorophenyl)-2-phenylacetylene","","- C21 H12 F4 O -","- C21 H12 F4 O -","- C84 H48 F16 O4 -","4","1","","Smith, Caroline E.; Smith, Philip S.; Thomas, Rhodri Ll.; Robins, Edward G.; Collings, Jonathan C.; Dai, Chaoyang; Scott, Andrew J.; Borwick, Simon; Batsanov, Andrei S.; Watt, Stephen W.; Clark, Stewart J.; Viney, Christopher; Howard, Judith A. K.; Clegg, William; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans","Journal of Materials Chemistry","2004","14","3","413","420","10.1039/b314094f","","","0.71073","MoKα","","0.0467","0.0399","","","0.0934","0.099","","","","","","1.073","","","","has coordinates","297167","2025-01-07","09:49:27",""
"7204780","16.466","0.0001","16.466","0.0001","7.7375","0.0001","90","","90","","120","","1816.8","0.03","296","2","296","2","","","","","","","","4","P 63 c m","P 6c -2","185","","","","- C36 H42 Eu2 O12 -","- C36 H42 Eu2 O12 -","- C72 H84 Eu4 O24 -","2","0.166667","","Franck Millange; Christian Serre; Jérôme Marrot; Nicole Gardant; Fabienne Pellé; Gérard Férey","Synthesis, structure and properties of a three-dimensional porous rare-earth carboxylate MIL-83(Eu): Eu2(O2C-C10H14-CO2)3","J. Mater. Chem.","2004","14","4","642","645","10.1039/b314343k","","","0.71073","MoKα","","0.092","0.0727","","","0.1919","0.2153","","","","","","1.125","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204781","6.6032","0.0012","16.986","0.003","20.412","0.004","90","","94.845","0.003","90","","2281.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H24 N4 Nd2 O22 S5 -","- C4 H24 N4 Nd2 O22 S5 -","- C16 H96 N16 Nd8 O88 S20 -","4","1","","Dan, Meenakshi; Behera, J. N.; Rao, C. N. R.","Organically templated rare earth sulfates with three-dimensional and layered structuresElectronic supplementary information (ESI) available: Tables S1?S6. See http://www.rsc.org/suppdata/jm/b3/b314663d/","Journal of Materials Chemistry","2004","14","8","1257","","10.1039/b314663d","","","0.71073","MoKα","","0.0418","0.035","","0.072","0.0696","","","","1.115","1.146","1.146","","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204782","6.621","0.0004","11.7941","0.0006","12.2064","0.0007","90.846","0.001","100.577","0.001","102.446","0.001","913.5","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H16 N2 Nd2 O18 S4 -","- C4 H16 N2 Nd2 O18 S4 -","- C8 H32 N4 Nd4 O36 S8 -","2","1","","Dan, Meenakshi; Behera, J. N.; Rao, C. N. R.","Organically templated rare earth sulfates with three-dimensional and layered structuresElectronic supplementary information (ESI) available: Tables S1?S6. See http://www.rsc.org/suppdata/jm/b3/b314663d/","Journal of Materials Chemistry","2004","14","8","1257","","10.1039/b314663d","","","0.71073","MoKα","","0.0345","0.0283","","0.0679","0.066","","","","0.976","1.037","1.037","","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204783","5.4823","0.0001","7.2328","0.0003","9.7943","0.0004","87.165","0.002","83.125","0.002","80.269","0.002","379.86","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C H5 N Nd O8 S2 -","- C H5 N Nd O8 S2 -","- C2 H10 N2 Nd2 O16 S4 -","2","1","","Dan, Meenakshi; Behera, J. N.; Rao, C. N. R.","Organically templated rare earth sulfates with three-dimensional and layered structuresElectronic supplementary information (ESI) available: Tables S1?S6. See http://www.rsc.org/suppdata/jm/b3/b314663d/","Journal of Materials Chemistry","2004","14","8","1257","","10.1039/b314663d","","","0.71073","MoKα","","0.0312","0.029","","0.0765","0.075","","","","1.071","1.103","1.103","","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204784","11.1008","0.0007","7.3085","0.0005","20.1323","0.0013","90","","91.829","0.001","90","","1632.51","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 La2 N2 O16 S4 -","- C3 H12 La2 N2 O16 S4 -","- C12 H48 La8 N8 O64 S16 -","4","1","","Dan, Meenakshi; Behera, J. N.; Rao, C. N. R.","Organically templated rare earth sulfates with three-dimensional and layered structuresElectronic supplementary information (ESI) available: Tables S1?S6. See http://www.rsc.org/suppdata/jm/b3/b314663d/","Journal of Materials Chemistry","2004","14","8","1257","","10.1039/b314663d","","","0.71073","MoKα","","0.0301","0.0239","","0.0666","0.0643","","","","1.082","1.167","1.167","","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204785","25.506","0.005","10.102","0.002","13.415","0.003","90","","90","","90","","3456.5","1.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H24 N3 Nd O13.5 S2.5 -","- C7 H24 N3 Nd O13.5 S2.5 -","- C56 H192 N24 Nd8 O108 S20 -","8","1","","Dan, Meenakshi; Behera, J. N.; Rao, C. N. R.","Organically templated rare earth sulfates with three-dimensional and layered structuresElectronic supplementary information (ESI) available: Tables S1?S6. See http://www.rsc.org/suppdata/jm/b3/b314663d/","Journal of Materials Chemistry","2004","14","8","1257","","10.1039/b314663d","","","0.71073","MoKα","","0.0536","0.0469","","0.0932","0.0913","","","","1.287","1.328","1.328","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204787","12.8276","0.0007","7.4062","0.0004","11.4938","0.0003","90","","100.662","0.005","90","","1073.1","0.09","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Yttrium Iron Molybdenum Oxide","Yttrium Iron Molybdenum Oxide","","- Fe Mo O7 Y2 -","- Fe1.005 Mo0.995 O7 Y2 -","- Fe8.04 Mo7.96 O56 Y16 -","8","1","","Veith, Gabriel M.; Lobanov, Maxim V.; Emge, Thomas J.; Greenblatt, Martha; Croft, Mark; Stowasser, Frank; Hadermann, Joke; Tendeloo, Gustaaf Van","Synthesis and characterization of the new Ln2FeMoO7 (Ln = Y, Dy, Ho) compounds","Journal of Materials Chemistry","2004","14","10","1623","","10.1039/b315028c","powder diffraction","","","CuKα","","","","","","","","","","1.77","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204788","7.4117","0.0002","7.4117","","16.9197","0.0006","90","","90","","120","","804.93","0.04","","","293","","","","","","","","","4","R -3 :H","-R 3","148","Holmium Iron Molybdenum Oxide","Holmium Iron Molybdenum Oxide","","- Fe Ho2 Mo O7 -","- Fe Ho2 Mo O7 -","- Fe6 Ho12 Mo6 O42 -","6","0.333333","","Veith, Gabriel M.; Lobanov, Maxim V.; Emge, Thomas J.; Greenblatt, Martha; Croft, Mark; Stowasser, Frank; Hadermann, Joke; Tendeloo, Gustaaf Van","Synthesis and characterization of the new Ln2FeMoO7 (Ln = Y, Dy, Ho) compounds","Journal of Materials Chemistry","2004","14","10","1623","","10.1039/b315028c","powder diffraction","","","CuKα","","","","","","","","","","1.31","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204789","7.4361","0.0001","7.4361","","16.9464","0.0003","90","","90","","120","","811.519","0.018","","","293","","","","","","","","","4","R -3 :H","-R 3","148","Dysprosium Iron Molybdenum Oxide","Dysprosium Iron Molybdenum Oxide","","- Dy2 Fe Mo O7 -","- Dy2 Fe Mo O7 -","- Dy12 Fe6 Mo6 O42 -","6","0.333333","","Veith, Gabriel M.; Lobanov, Maxim V.; Emge, Thomas J.; Greenblatt, Martha; Croft, Mark; Stowasser, Frank; Hadermann, Joke; Tendeloo, Gustaaf Van","Synthesis and characterization of the new Ln2FeMoO7 (Ln = Y, Dy, Ho) compounds","Journal of Materials Chemistry","2004","14","10","1623","","10.1039/b315028c","powder diffraction","","1.54056","CuK\α~1~","","","","","","","","","","1.18","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204802","9.93931","0.00013","9.93931","","7.28485","0.0001","90","","90","","120","","623.252","0.012","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ge La1.6 O4.45 -","- Ge La1.6 O4.4472 -","- Ge6 La9.6 O26.6832 -","6","0.5","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","x-ray","0.400269","","","","","","","","","0.04954","","66.75","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204803","9.76655","0.00018","9.76655","","7.20962","0.00014","90","","90","","120","","595.56","0.016","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La1.59 O4.38 Si -","- La1.59133 O4.37667 Si -","- La9.548 O26.26 Si6 -","6","0.5","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","neutron","1.88604","","","","","","","","","0.05287","","","","","","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204804","9.72566","0.00004","9.72566","","7.18636","0.00004","90","","90","","120","","588.678","0.004","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La1.59 O4.36 Si -","- La1.59133 O4.36133 Si -","- La9.548 O26.168 Si6 -","6","0.5","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","","1.5406","Kα~1~","","","","","","","","0.03241","","91.35","","","","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204805","10.00745","0.00028","10.00745","","7.33341","0.00022","90","","90","","120","","636.04","0.03","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ge La1.6 O4.41 -","- Ge La1.6 O4.409 -","- Ge6 La9.6 O26.454 -","6","0.5","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","neutron","1.88604","","","","","","","","","0.41286","","2.42","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204806","9.9658","0.00019","9.9658","","7.3116","0.00016","90","","90","","120","","628.879","0.018","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ge La1.6 O4.43 -","- Ge La1.6 O4.42833 -","- Ge6 La9.6 O26.57 -","6","0.5","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","","","","","","","","","","","","","2.09","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204807","3.62266","","3.62266","","3.62266","","90","","90","","90","","47.543","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Fe -","- Fe -","- Fe4 -","4","0.0208333","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204808","9.80882","0.0002","9.80882","","7.23353","0.00016","90","","90","","120","","602.718","0.018","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La1.59 O4.37 Si -","- La1.59133 O4.37367 Si -","- La9.548 O26.242 Si6 -","6","0.5","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","neutron","1.88604","","","","","","","","","0.04755","","1.99","","","","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204811","11.248","0.011","13.72","0.03","17.3","0.02","71.56","0.15","83.08","0.11","68.62","0.15","2358","7","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Pb(dimb)(dmf)(NO3)2]","","- C18 H23 N7 O7 Pb -","- C18 H23 N7 O7 Pb -","- C72 H92 N28 O28 Pb4 -","4","2","","Sui, Bin; Zhao, Wei; Ma, Guohong; Okamura, Taka-aki; Fan, Jian; Li, Yi-Zhi; Tang, Sing-Hai; Sun, Wei-Yin; Ueyama, Norikazu","Novel Pb(ii) coordination frameworks: synthesis, crystal structures and unusual third-order nonlinear optical propertiesElectronic supplementary information (ESI) available: crystal packing diagram of complex 2. See http://www.rsc.org/suppdata/jm/b3/b315682f/","Journal of Materials Chemistry","2004","14","10","1631","","10.1039/b315682f","","","0.71075","MoKα","","0.0703","0.0397","","","0.0785","0.084","","","","","","0.866","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204812","11.968","0.002","10.0376","0.0018","16.579","0.003","90","","92.804","0.003","90","","1989.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Pb(dimb)(SCN)2]","","- C34 H32 N12 O0 Pb2 S4 -","- C34 H32 N12 Pb2 S4 -","- C68 H64 N24 Pb4 S8 -","2","0.5","","Sui, Bin; Zhao, Wei; Ma, Guohong; Okamura, Taka-aki; Fan, Jian; Li, Yi-Zhi; Tang, Sing-Hai; Sun, Wei-Yin; Ueyama, Norikazu","Novel Pb(ii) coordination frameworks: synthesis, crystal structures and unusual third-order nonlinear optical propertiesElectronic supplementary information (ESI) available: crystal packing diagram of complex 2. See http://www.rsc.org/suppdata/jm/b3/b315682f/","Journal of Materials Chemistry","2004","14","10","1631","","10.1039/b315682f","","","0.71073","MoKα","","0.0865","0.0438","","","0.0836","0.0909","","","","","","0.847","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204813","10.236","0.001","11.672","0.002","15.299","0.002","73.5","0.01","86.58","0.01","81.92","0.01","1734.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 N9 O7 Pb -","- C33 H34 N9 O7 Pb -","- C66 H68 N18 O14 Pb2 -","2","1","","Sui, Bin; Zhao, Wei; Ma, Guohong; Okamura, Taka-aki; Fan, Jian; Li, Yi-Zhi; Tang, Sing-Hai; Sun, Wei-Yin; Ueyama, Norikazu","Novel Pb(ii) coordination frameworks: synthesis, crystal structures and unusual third-order nonlinear optical propertiesElectronic supplementary information (ESI) available: crystal packing diagram of complex 2. See http://www.rsc.org/suppdata/jm/b3/b315682f/","Journal of Materials Chemistry","2004","14","10","1631","","10.1039/b315682f","","","0.71073","MoKα","","0.0725","0.0565","","","0.1446","0.1489","","","","","","1.043","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204814","3.42","0.006","3.42","","5.938","0.011","90","","90","","120","","60.15","0.15","293","","293","","","","","","","","","2","P -3 m 1","-P 3 2""","164","1T niobium disulfide","niobium disulfide","","- Nb S2 -","- Nb S2 -","- Nb S2 -","1","0.0833333","","Carmalt, Claire J.; Manning, Troy D.; Parkin, Ivan P.; Peters, Emily S.; Hector, Andrew L.","Formation of a new (1T) trigonal NbS2 polytype via atmospheric pressure chemical vapour depositionElectronic supplementary information (ESI) available: structure refinements of the NbS2 films and crystallographic data in CIF format. See http://www.rsc.org/suppdata/jm/b3/b315782m/","Journal of Materials Chemistry","2004","14","3","290","","10.1039/b315782m","powder diffraction","x-ray","1.2982","synchrotron","","","","","","","","0.36152","","1.38","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204828","5.4266","0.0003","9.1466","0.0008","26.211","0.002","90","","92.904","0.005","90","","1299.31","0.17","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H39 N O4 -","- C29 H39 N O4 -","- C58 H78 N2 O8 -","2","1","","Carsten P. Roll; Alexander G. Martin; Helmar Görls; Guido Leibeling; Daniel Guillon; Bertrand Donnio; Wolfgang Weigand","Rodlike metallomesogens containing nickel(II), palladium(II) and copper(II) based on novel enaminoketonato ligands","J. Mater. Chem.","2004","14","11","1722","1730","10.1039/b316731c","","","0.71073","MoKα","","0.1682","0.0823","","","0.1258","0.1522","","","","","","1.014","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204829","5.1776","0.0004","11.785","0.001","20.724","0.002","91.927","0.007","93.548","0.006","91.903","0.007","1260.61","0.19","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H37 N O4 -","- C28 H37 N O4 -","- C56 H74 N2 O8 -","2","1","","Carsten P. Roll; Alexander G. Martin; Helmar Görls; Guido Leibeling; Daniel Guillon; Bertrand Donnio; Wolfgang Weigand","Rodlike metallomesogens containing nickel(II), palladium(II) and copper(II) based on novel enaminoketonato ligands","J. Mater. Chem.","2004","14","11","1722","1730","10.1039/b316731c","","","0.71073","MoKα","","0.1717","0.0857","","","0.152","0.1576","","","","","","2.706","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204830","7.5241","0.0004","9.2447","0.0009","25.918","0.003","91.226","0.003","90.943","0.006","94.782","0.005","1795.8","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H98 Cl6 N2 O8 Pd -","- C70 H98 Cl6 N2 O8 Pd -","- C70 H98 Cl6 N2 O8 Pd -","1","0.5","","Carsten P. Roll; Alexander G. Martin; Helmar Görls; Guido Leibeling; Daniel Guillon; Bertrand Donnio; Wolfgang Weigand","Rodlike metallomesogens containing nickel(II), palladium(II) and copper(II) based on novel enaminoketonato ligands","J. Mater. Chem.","2004","14","11","1722","1730","10.1039/b316731c","","","0.71069","MoKα","","0.1434","0.0618","","","0.121","0.1321","","","","","","0.759","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204834","7.58","0.001","8.003","0.002","11.652","0.002","88.6","0.02","74.12","0.02","68.84","0.02","631.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(2,6-dichlorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H7 Cl2 N2 O2 -","- C13 H7 Cl2 N2 O2 -","- C26 H14 Cl4 N4 O4 -","2","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1348","0.0503","","","0.0981","0.117","","","","","","0.899","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204835","11.803","0.002","7.833","0.001","23.664","0.002","90","","90","","90","","2187.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2,6-difluorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H7 F2 N2 O2 -","- C13 H7 F2 N2 O2 -","- C104 H56 F16 N16 O16 -","8","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1986","0.0455","","","0.0552","0.071","","","","","","0.819","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204836","6.942","0.001","21.265","0.003","8.886","0.001","90","","121.3","0.02","90","","1120.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2,6-difluorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H7 F2 N2 O2 -","- C13 H7 F2 N2 O2 -","- C52 H28 F8 N8 O8 -","4","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1253","0.0493","","","0.1079","0.1418","","","","","","0.977","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204837","10.37","0.002","15.787","0.003","7.79","0.001","90","","109.68","0.03","90","","1200.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-chloro,6-fluorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H7 Cl F N2 O2 -","- C13 H7 Cl F N2 O2 -","- C52 H28 Cl4 F4 N8 O8 -","4","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1158","0.0898","","","0.2183","0.232","","","","","","1.075","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204838","7.396","0.001","20.665","0.003","8.18","0.001","90","","105.38","0.02","90","","1205.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2-chloro,6-fluorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H7 Cl F N2 O2 -","- C13 H7 Cl F N2 O2 -","- C52 H28 Cl4 F4 N8 O8 -","4","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1885","0.0608","","","0.134","0.1675","","","","","","0.848","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204839","8.47","0.001","12.701","0.002","12.44","0.002","90","","93.79","0.02","90","","1335.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2,3,6-trichlorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H6 Cl3 N2 O2 -","- C13 H6 Cl3 N2 O2 -","- C52 H24 Cl12 N8 O8 -","4","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.109","0.0401","","","0.0887","0.1055","","","","","","0.825","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204840","22.536","0.005","7.868","0.002","13.76","0.002","90","","100.69","0.02","90","","2397.5","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2,3,4,5,6-pentafluorophenyl)benzimidazolyl-N,N'-dioxide","","- C13 H4 F5 N2 O2 -","- C13 H4 F5 N2 O2 -","- C104 H32 F40 N16 O16 -","8","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1275","0.0422","","","0.086","0.1027","","","","","","0.814","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204841","13.722","0.001","7.138","0.002","13.316","0.001","90","","118.23","0.02","90","","1149.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-cyanophenyl)benzimidazolyl-N,N'-dioxide","","- C14 H8 N3 O2 -","- C14 H8 N3 O2 -","- C56 H32 N12 O8 -","4","1","","Zakrassov, Alexander; Shteiman, Vitaly; Sheynin, Yana; Tumanskii, Boris; Botoshansky, Mark; Kapon, Moshe; Keren, Amit; Kaftory, Menahem; Vos, Thomas E.; Miller, Joel S.","Synthesis, structural, and magnetic characterization of substituted benzoimidazole-l-yl N,N?-dioxides","Journal of Materials Chemistry","2004","14","12","1827","","10.1039/b400299g","","","0.71073","MoKα","","0.1133","0.0453","","","0.102","0.1425","","","","","","0.926","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204842","7.791","0.0016","11.819","0.002","15.064","0.003","96.69","0.03","98.74","0.03","104.21","0.03","1311.8","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 Br2 S7 -","- C20 H26 Br2 S7 -","- C40 H52 Br4 S14 -","2","1","","Peter J. Skabara; Rory Berridge; Eric J. L. McInnes; David P. West; Simon J. Coles; Michael B. Hursthouse; Klaus Müllen","The electroactivity of tetrathiafulvalene vs. polythiophene: synthesis and characterisation of a fused thieno–TTF polymer","J. Mater. Chem.","2004","14","13","1964","1969","10.1039/b400809j","","","0.71073","MoKα","","0.0595","0.043","","","0.1149","0.1308","","","","","","0.86","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204843","14.166","0.0002","17.3175","0.0004","19.5311","0.0003","90","","105.037","0.001","90","","4627.3","0.15","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H76 Hf O8 -","- C44 H76 Hf O8 -","- C176 H304 Hf4 O32 -","4","0.5","","Pasko, Sergej V.; Hubert-Pfalzgraf, Liliane G.; Abrutis, Adulfas; Richard, Philippe; Bartasyte, Ausrine; Kazlauskiene, Vida","New sterically hindered Hf, Zr and Y ?-diketonates as MOCVD precursors for oxide films","Journal of Materials Chemistry","2004","14","8","1245","","10.1039/b401052c","","","0.71073","MoKα","","0.034","0.0297","","","0.0725","0.0748","","","","","","1.089","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204854","8.5848","0.0006","9.1884","0.0006","11.9256","0.0008","102.997","0.002","94.614","0.002","115.952","0.002","806.81","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H18 N3 Ni O10 P3 Zn2 -","- C4 H14 N3 Ni O10 P3 Zn2 -","- C8 H28 N6 Ni2 O20 P6 Zn4 -","2","1","","Lin, Zhi-En; Zhang, Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Synthesis and characterization of a novel open-framework nickel?zinc phosphite with intersecting three-dimensional 16-ring channels","Journal of Materials Chemistry","2004","14","10","1652","","10.1039/b402321h","","","0.71073","MoKα","","","0.0381","","","0.1028","0.106","","","","","","1.15","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204857","14.059","0.003","14.27","0.003","27.053","0.005","88.27","0.03","86.65","0.03","86.02","0.03","5403.2","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C121 H74 Cl2 Mo12 O40 P -","- C121 H74 Cl2 Mo12 O40 P -","- C242 H148 Cl4 Mo24 O80 P2 -","2","1","","Eugenio Coronado; José R. Galán-Mascarós; Carlos Giménez-Saiz; Carlos J. Gómez-García; Eugenia Martínez-Ferrero; Manuel Almeida; Elsa B. Lopes; Silvia C. Capelli; Rosa M. Llusar","New conducting radical salts based upon Keggin-type polyoxometalates and perylene","J. Mater. Chem.","2004","14","12","1867","1872","10.1039/b402630f","","","0.7","synchrotron","","0.0928","0.0733","","","0.1822","0.2164","","","","","","1.088","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204858","13.9695","0.0002","14.1207","0.0002","27.557","0.0003","87.3761","0.0005","89.5155","0.0005","86.1853","0.0005","5418.06","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H75 Mo12 N O40 P -","- C122 H75 Mo12 N O40 P -","- C244 H150 Mo24 N2 O80 P2 -","2","1","","Eugenio Coronado; José R. Galán-Mascarós; Carlos Giménez-Saiz; Carlos J. Gómez-García; Eugenia Martínez-Ferrero; Manuel Almeida; Elsa B. Lopes; Silvia C. Capelli; Rosa M. Llusar","New conducting radical salts based upon Keggin-type polyoxometalates and perylene","J. Mater. Chem.","2004","14","12","1867","1872","10.1039/b402630f","","","0.71073","MoKα","","0.064","0.0406","","","0.1185","0.141","","","","","","1.18","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204859","18.366","0.004","18.547","0.005","19.172","0.005","83.033","0.007","84.736","0.007","67.564","0.007","5984","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H126 N2 O40 Si W12 -","- C122 H126 N2 O40 Si W12 -","- C244 H252 N4 O80 Si2 W24 -","2","1","","Eugenio Coronado; José R. Galán-Mascarós; Carlos Giménez-Saiz; Carlos J. Gómez-García; Eugenia Martínez-Ferrero; Manuel Almeida; Elsa B. Lopes; Silvia C. Capelli; Rosa M. Llusar","New conducting radical salts based upon Keggin-type polyoxometalates and perylene","J. Mater. Chem.","2004","14","12","1867","1872","10.1039/b402630f","","","0.71069","MoKα","","0.4312","0.1451","","","0.3111","0.415","","","","","","0.924","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204862","17.0947","0.0011","17.0947","0.0011","10.7531","0.0008","90","","90","","90","","3142.4","0.4","297","2","297","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C6 H26 Co3 N6 O28 P4 W4 -","- C6 H26 Co3 N6 O28 P4 W4 -","- C24 H104 Co12 N24 O112 P16 W16 -","4","0.25","","Yan, Bangbo; Goh, Ngoh K.; Chia, Lian S.; Stucky, Galen D.","Hydrothermal synthesis, structures and catalytic properties of the new open-framework cobalt tungsten phosphates (enH2)3[Co3W4P4O28] and K6[Co3W4P4O28]�4H2O","Journal of Materials Chemistry","2004","14","10","1567","","10.1039/b402942a","","","0.71073","MoKα","","0.0623","0.0399","","","0.0838","0.0911","","","","","","1.05","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204863","16.96","0.005","16.96","0.005","10.705","0.005","90","","90","","90","","3079.2","1.9","299","2","299","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- Co3 H8 K6 O32 P4 W4 -","- Co3 K6 O31.8 P4 W4 -","- Co12 K24 O127.2 P16 W16 -","4","0.25","","Yan, Bangbo; Goh, Ngoh K.; Chia, Lian S.; Stucky, Galen D.","Hydrothermal synthesis, structures and catalytic properties of the new open-framework cobalt tungsten phosphates (enH2)3[Co3W4P4O28] and K6[Co3W4P4O28]�4H2O","Journal of Materials Chemistry","2004","14","10","1567","","10.1039/b402942a","","","0.71073","MoKα","","0.1066","0.0547","","","0.0955","0.1106","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204870","6.054","0.003","8.226","0.004","19.641","0.009","87.74","0.04","81.23","0.04","82.53","0.04","958.3","0.8","296.2","","","","","","","","","","","4","P -1","-P 1","2","2,5-Bis-(2,2')bithiophenyl-5-yl-thiazolo(5,4-d)thiazole","","","- C20 H10 N2 S6 -","- C20 H7 N2 S6 -","- C40 H14 N4 S12 -","2","1","","Ando, Shinji; Nishida, Jun-ichi; Inoue, Youji; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, physical properties, and field-effect transistors of novel thiophene/thiazolothiazole co-oligomers","Journal of Materials Chemistry","2004","14","12","1787","","10.1039/b403699a","","","0.7107","MoKα","","","0.0648","","","","0.163","","","","","","2.136","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204889","15.1447","0.0008","21.8075","0.0012","15.6767","0.0008","90","","107.16","0.006","90","","4947","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(TPA)4[Cu8(i-mnt)6],2MeCN","tetrakis-tetrapropylamonium-hexa-iso-maleonitrile- octa-cuprate(I)bis-acetonitrile solvate","","- C76 H118 Cu8 N18 S12 -","- C76 H118 Cu8 N18 S12 -","- C152 H236 Cu16 N36 S24 -","2","0.5","","Perruchas, Sandrine; Boubekeur, Kamal; Auban-Senzier, Pascale","Radical cation salts of TTF derivatives incorporating the maleonitriledithiolate copper cluster anion [Cu8(i-mnt)6]4?","Journal of Materials Chemistry","2004","14","24","3509","","10.1039/b411014e","","","0.71073","MoKα","","0.1239","0.0315","","","0.0588","0.0926","","","","","","1.032","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204890","12.8019","0.0011","16.5389","0.0014","17.5845","0.0017","95.819","0.011","91.382","0.011","109.792","0.01","3478.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(BEDT-TTF)6[Cu8(i-mnt)6](CH2Cl2)4","hexakis-bisethylenedithiotetrathiafulvalenium-hexa-iso-maleonitrile- octa-cuprate(I)-tetrakis-dichloromethane solvate","","- C44 H28 Cl4 Cu4 N6 S30 -","- C44 H28 Cl4 Cu4 N6 S30 -","- C88 H56 Cl8 Cu8 N12 S60 -","2","1","","Perruchas, Sandrine; Boubekeur, Kamal; Auban-Senzier, Pascale","Radical cation salts of TTF derivatives incorporating the maleonitriledithiolate copper cluster anion [Cu8(i-mnt)6]4?","Journal of Materials Chemistry","2004","14","24","3509","","10.1039/b411014e","","","0.71073","MoKα","","0.092","0.0828","","","0.1957","0.2049","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204891","11.8708","0.0014","14.59","0.002","16.714","0.002","76.93","0.016","77.497","0.014","72.449","0.015","2654","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTF)6[Cu8(i-mnt)6]","hexakis-ethylenedithiotetrathiafulvalenium-hexa-iso-maleonitrile- octa-cuprate(I)","","- C72 H36 Cu8 N12 S48 -","- C72 H24 Cu8 N12 S48 -","- C72 H24 Cu8 N12 S48 -","1","0.5","","Perruchas, Sandrine; Boubekeur, Kamal; Auban-Senzier, Pascale","Radical cation salts of TTF derivatives incorporating the maleonitriledithiolate copper cluster anion [Cu8(i-mnt)6]4?","Journal of Materials Chemistry","2004","14","24","3509","","10.1039/b411014e","","","0.71073","MoKα","","0.1509","0.0713","","","0.1703","0.2154","","","","","","1.05","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204904","2.886","","2.886","","2.886","","90","","90","","90","","24.037","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Laura León-Reina; Enrique R. Losilla; María Martínez-Lara; Sebastián Bruque; Miguel A. G. Aranda","Interstitial oxygen conduction in lanthanum oxy-apatite electrolytes","J. Mater. Chem.","2004","14","7","1142","1149","10.1039/b315257j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206894","40.284","0.006","40.284","0.006","17.66","0.003","90","","90","","90","","28659","8","173","2","173","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C102 H84 Cu3 N2 O21 -","- C103 H84.2404 Cu3 N2 O21 -","- C824.002 H673.923 Cu24 N16 O168 -","8","0.5","","Yu, Jin-Tao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","A novel 1D independent metal‒organic nanotube based on cyclotriveratrylene ligand","CrystEngComm","2012","14","1","112","","10.1039/c1ce05316g","","","0.71073","MoKα","","0.1259","0.1006","","","0.2562","0.2742","","","","","","1.137","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206895","12.9833","0.0007","25.7855","0.0014","30.5266","0.0017","90","","90","","90","","10219.7","1","120","2","120","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C25 H28 Co N4 O6 -","- C25 H24 Co N4 O6 -","- C400 H384 Co16 N64 O96 -","16","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0854","0.0529","","","0.1387","0.1591","","","","","","1.029","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206896","12.96","0.001","25.619","0.002","30.85","0.002","90","","90","","90","","10242.9","1.3","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C25 H28 N4 O6 Zn -","- C25 H24 N4 O6 Zn -","- C400 H384 N64 O96 Zn16 -","16","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0543","0.0406","","","0.1112","0.121","","","","","","1.065","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206897","9.6988","0.0006","15.9616","0.001","15.1735","0.0009","90","","98.865","0.002","90","","2320.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cd N4 O5 -","- C25 H24 Cd N4 O5 -","- C100 H96 Cd4 N16 O20 -","4","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0497","0.0322","","","0.069","0.0749","","","","","","1.048","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206898","9.6221","0.0002","9.6221","0.0002","48.4414","0.0013","90","","90","","120","","3884.07","0.15","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C25 H24 Co N4 O5 -","- C25 H24 Co N4 O5 -","- C150 H144 Co6 N24 O30 -","6","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0441","0.0371","","","0.0849","0.0874","","","","","","1.066","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206899","12.8829","0.0005","14.1565","0.0006","18.6819","0.0007","104.822","0.002","98.409","0.002","113.367","0.001","2903.5","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H67 Cu2 N9 O15 -","- C54 H67 Cu2 N9 O15 -","- C108 H134 Cu4 N18 O30 -","2","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.1077","0.0579","","","0.121","0.1421","","","","","","1.042","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206900","14.7437","0.0008","24.709","0.0013","20.6058","0.0011","90","","105.314","0.002","90","","7240.2","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29.88 H37.38 N5.63 Ni O7.63 -","- C28 H33 N5 Ni O7 -","- C224 H264 N40 Ni8 O56 -","8","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0847","0.0562","","","0.1425","0.1535","","","","","","0.984","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206901","9.6491","0.0002","9.6491","0.0002","48.258","0.002","90","","90","","120","","3891.1","0.2","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C25 H24 N4 O5 Zn -","- C25 H24 N4 O5 Zn -","- C150 H144 N24 O30 Zn6 -","6","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0627","0.0604","","","0.1501","0.1511","","","","","","1.198","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206902","24.573","0.005","9.3013","0.0017","21.788","0.004","90","","110.754","0.007","90","","4656.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 Cu N4 O4 -","- C25 H24 Cu N4 O4 -","- C200 H192 Cu8 N32 O32 -","8","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0632","0.0393","","","0.097","0.1067","","","","","","1.044","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206903","19.562","0.0014","15.8621","0.0012","15.3525","0.0011","90","","90","","90","","4763.8","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C50 H50 N8 Ni O8 -","- C50 H50 N8 Ni O8 -","- C200 H200 N32 Ni4 O32 -","4","","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0311","0.0292","","","0.0757","0.0768","","","","","","1.078","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206904","7.5104","0.0007","11.904","0.001","29.32","0.003","90","","96.942","0.001","90","","2602.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Br4 O2 Ru -","- C8 H5 Br4 O2 Ru -","- C64 H40 Br32 O16 Ru8 -","8","2","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Supramolecular interactions between hexabromoethane and cyclopentadienyl ruthenium bromides: Halogen bonding or electrostatic organisation?","CrystEngComm","2012","14","3","804","","10.1039/c1ce05438d","","","0.71073","MoKα","","0.0597","0.0418","","","0.0901","0.0999","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206905","6.767","0.002","7.475","0.002","13.172","0.004","85.299","0.004","89.063","0.004","72.03","0.004","631.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 Br4 O2 Ru -","- C8 H5 Br4 O2 Ru -","- C16 H10 Br8 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Supramolecular interactions between hexabromoethane and cyclopentadienyl ruthenium bromides: Halogen bonding or electrostatic organisation?","CrystEngComm","2012","14","3","804","","10.1039/c1ce05438d","","","0.71073","MoKα","","0.0652","0.0557","","","0.1466","0.1559","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206906","6.6793","0.001","10.676","0.002","12.15","0.002","90","","99.859","0.003","90","","853.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl O2 Ru -","- C7 H5 Cl O2 Ru -","- C28 H20 Cl4 O8 Ru4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0267","0.0242","","","0.0621","0.065","","","","","","0.938","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206907","6.5729","0.0012","10.455","0.002","12.066","0.002","90","","98.71","0.002","90","","819.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl O2 Os -","- C7 H5 Cl O2 Os -","- C28 H20 Cl4 O8 Os4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0288","0.0247","","","0.0722","0.0737","","","","","","1.195","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206908","6.7919","0.0008","7.8225","0.001","12.819","0.002","84.5","0.003","87.327","0.003","72.547","0.003","646.61","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cl O2 Ru -","- C12 H15 Cl O2 Ru -","- C24 H30 Cl2 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0394","0.0295","","","0.0738","0.0772","","","","","","0.988","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206909","12.0242","0.001","7.9991","0.0007","14.1805","0.0012","90","","106.583","0.002","90","","1307.19","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cl O2 Ru -","- C12 H15 Cl O2 Ru -","- C48 H60 Cl4 O8 Ru4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0457","0.0288","","","0.0688","0.0726","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206910","8.4488","0.0013","9.9193","0.0015","11.619","0.002","90","","107.559","0.002","90","","928.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 Cl O2 Ru -","- C8 H7 Cl O2 Ru -","- C32 H28 Cl4 O8 Ru4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0208","0.0187","","","0.0468","0.0476","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206911","6.1076","0.0011","6.8545","0.0012","11.658","0.002","80.201","0.002","82.342","0.003","79.028","0.002","469.57","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Br O2 Ru -","- C8 H7 Br O2 Ru -","- C16 H14 Br2 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0237","0.0212","","","0.0548","0.0558","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206912","6.9642","0.0013","7.4745","0.0014","10.068","0.002","92.968","0.003","95.936","0.003","108.783","0.003","491.49","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 I O2 Ru -","- C8 H7 I O2 Ru -","- C16 H14 I2 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0325","0.0303","","","0.0811","0.0827","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206913","11.2187","0.0018","4.7411","0.0007","21.685","0.003","90","","93.91","0.002","90","","1150.7","0.3","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-fluoro-N-(2-bromophenyl) benzamide","2-fluoro-N-(2-bromophenyl) benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C52 H36 Br4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0406","0.0314","","","0.0701","0.0725","","","","","","1.055","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206914","26.081","0.003","5.2349","0.0007","17.549","0.002","90","","103.716","0.002","90","","2327.7","0.5","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3-fluoro-N-(4-bromophenyl) benzamide","3-fluoro-N-(4-bromophenyl) benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C104 H72 Br8 F8 N8 O8 -","8","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.048","0.0341","","","0.0769","0.0846","","","","","","1.027","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206915","5.0904","0.0011","10.696","0.002","12.054","0.003","113.637","0.003","97.827","0.003","93.133","0.003","591.3","0.2","292","2","292","2","","","","","","","","6","P -1","-P 1","2","2-bromo-N-(3-fluoro)benzamide","2-bromo-N-(3-fluoro)benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C26 H18 Br2 F2 N2 O2 -","2","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0385","0.0295","","","0.0653","0.0687","","","","","","1.05","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206916","4.3711","0.0004","5.1917","0.0005","50.481","0.005","90","","90","","90","","1145.59","0.19","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","3-bromo-N-(3-fluorophenyl)benzamide","3-bromo-N-(3-fluorophenyl)benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C52 H36 Br4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.042","0.0343","","","0.0673","0.0691","","","","","","1.14","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206917","11.0184","0.0016","4.7429","0.0007","21.677","0.003","90","","94.101","0.002","90","","1129.9","0.3","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-fluoro-N-(2-chlorophenyl)benzamide","2-fluoro-N-(2-chlorophenyl)benzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C52 H36 Cl4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0531","0.041","","","0.0985","0.1036","","","","","","1.063","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206918","25.6859","0.0006","5.2425","0.0001","17.3988","0.0004","90","","104.252","0.001","90","","2270.78","0.09","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3-fluoro-N-(4-chlorophenyl)benzamide","3-fluoro-N-(4-chlorophenyl)benzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C104 H72 Cl8 F8 N8 O8 -","8","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0593","0.0403","","","0.1248","0.1529","","","","","","1.124","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206919","13.6468","0.0003","12.3384","0.0003","13.7313","0.0003","90","","90.686","0.002","90","","2311.91","0.09","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-chloro-N-(3-flourophenyl)benzamide","2-chloro-N-(3-flourophenyl)benzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C104 H72 Cl8 F8 N8 O8 -","8","2","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0696","0.0449","","","0.1227","0.1286","","","","","","1.083","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206920","5.1012","0.0003","11.0188","0.0007","12.441","0.0008","64.411","0.003","79.243","0.003","87.18","0.003","619.23","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","2-iodo-N-(3-fluorophenyl)benzamide","2-iodo-N-(3-fluorophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C26 H18 F2 I2 N2 O2 -","2","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0295","0.0253","","","0.0544","0.0561","","","","","","1.041","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206921","11.5468","0.0011","4.7669","0.0005","21.94","0.002","90","","92.302","0.005","90","","1206.7","0.2","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-fluoro-N-(2-iodophenyl)benzamide","2-fluoro-N-(2-iodophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C52 H36 F4 I4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0304","0.0235","","","0.0471","0.0491","","","","","","1.043","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206922","9.0447","0.0002","14.1185","0.0003","9.9862","0.0003","90","","90","","90","","1275.21","0.05","292","2","292","2","","","","","","","","6","P n a 21","P 2c -2n","33","2-iodo-N-(2-fluorophenyl)benzamide","2-iodo-N-(2-fluorophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C52 H36 F4 I4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0441","0.0339","","","0.0688","0.0711","","","","","","1.006","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206923","25.444","0.002","8.0222","0.0007","13.4912","0.0012","90","","106.518","0.001","90","","2640.1","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C52 H50 Cl8 N2 O8 -","- C52 H50 Cl8 N2 O8 -","- C104 H100 Cl16 N4 O16 -","2","0.5","","Mahieux, Julien; Gonella, Silvia; Sanselme, Morgane; Coquerel, Gérard","Crystal structure of a hybrid salt–cocrystal and its resolution by preferential crystallization: ((±)trans-N,N′-dibenzyldiaminocyclohexane)(2,3-dichlorophenylacetic acid)4","CrystEngComm","2012","14","1","103","","10.1039/c1ce05484h","","x-ray","0.71073","MoKα","","0.0739","0.0657","","","0.1713","0.1802","","","","","","1.029","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206924","4.8955","0.0005","12.3245","0.0012","14.503","0.0014","90","","94.27","0.002","90","","872.6","0.15","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl2 O2 -","- C8 H6 Cl2 O2 -","- C32 H24 Cl8 O8 -","4","1","","Mahieux, Julien; Gonella, Silvia; Sanselme, Morgane; Coquerel, Gérard","Crystal structure of a hybrid salt–cocrystal and its resolution by preferential crystallization: ((±)trans-N,N′-dibenzyldiaminocyclohexane)(2,3-dichlorophenylacetic acid)4","CrystEngComm","2012","14","1","103","","10.1039/c1ce05484h","","x-ray","0.71073","MoKα","","0.0542","0.0477","","","0.1307","0.1362","","","","","","1.058","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206925","19.03","0.008","5.555","0.0015","25.191","0.009","90","","110.33","0.03","90","","2497.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl N4 O2 -","- C30 H24 Cl N4 O2 -","- C120 H96 Cl4 N16 O8 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Berbenni, Vittorio; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Milanese, Chiara; Marini, Amedeo","Preparation and characterization of carprofen co-crystals","CrystEngComm","2012","14","2","435","","10.1039/c1ce05571b","","","0.71073","MoKα","","0.2039","0.1322","","","0.295","0.3415","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206926","9.2681","0.0009","12.4755","0.0016","16.074","0.003","73.308","0.012","82.774","0.014","75.228","0.009","1718.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cl2 N4 O4 -","- C40 H32 Cl2 N4 O4 -","- C80 H64 Cl4 N8 O8 -","2","1","","Bruni, Giovanna; Maietta, Mariarosa; Berbenni, Vittorio; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Milanese, Chiara; Marini, Amedeo","Preparation and characterization of carprofen co-crystals","CrystEngComm","2012","14","2","435","","10.1039/c1ce05571b","","","0.71073","MoKα","","0.0814","0.049","","","0.1096","0.1244","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206927","19.0685","0.0015","5.5501","0.0005","25.148","0.002","90","","110.116","0.002","90","","2499.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl N4 O2 -","- C30 H24 Cl N4 O2 -","- C120 H96 Cl4 N16 O8 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Berbenni, Vittorio; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Milanese, Chiara; Marini, Amedeo","Preparation and characterization of carprofen co-crystals","CrystEngComm","2012","14","2","435","","10.1039/c1ce05571b","","","0.71073","MoKα","","0.1034","0.0591","","","0.1552","0.1895","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206928","7.855","0.0013","17.546","0.003","18.586","0.003","90","","111.626","0.006","90","","2381.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 I N6 O8 Zn -","- C16 H23 I N6 O8 Zn -","- C64 H92 I4 N24 O32 Zn4 -","4","1","","Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang","Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties","CrystEngComm","2012","14","2","590","","10.1039/c1ce05577a","","","0.71073","MoKα","","0.0697","0.0445","","","0.1264","0.1465","","","","","","1.078","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206929","8.5844","0.0009","22.107","0.002","10.2952","0.0011","90","","102.313","0.001","90","","1908.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 I N6 O4 Zn -","- C16 H15 I N6 O4 Zn -","- C64 H60 I4 N24 O16 Zn4 -","4","1","","Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang","Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties","CrystEngComm","2012","14","2","590","","10.1039/c1ce05577a","","","0.71073","MoKα","","0.041","0.0313","","","0.0791","0.085","","","","","","1.069","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206930","10.1291","0.001","16.9901","0.0017","12.3894","0.0012","90","","107.66","0.001","90","","2031.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 I N6 O6 Zn -","- C15 H17 I N6 O6 Zn -","- C60 H68 I4 N24 O24 Zn4 -","4","1","","Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang","Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties","CrystEngComm","2012","14","2","590","","10.1039/c1ce05577a","","","0.71073","MoKα","","0.0762","0.0446","","","0.1","0.1161","","","","","","1.018","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206931","9.4462","0.0004","10.6899","0.0004","10.917","0.0004","103.25","0.002","98.612","0.002","102.932","0.002","1022.07","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H46 N8 O36 V10 -","- C14 H46 N8 O36 V10 -","- C14 H46 N8 O36 V10 -","1","0.5","","Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long","Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction","CrystEngComm","2012","14","1","314","","10.1039/c1ce05605k","","","0.71073","MoKα","","0.0387","0.0295","","","0.0792","0.0859","","","","","","1.011","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206932","22.0808","0.0015","9.7061","0.0005","24.3647","0.0015","90","","109.045","0.008","90","","4936","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H62 Co2 N8 O46 V10 -","- C12 H62 Co2 N8 O46 V10 -","- C48 H248 Co8 N32 O184 V40 -","4","0.5","","Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long","Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction","CrystEngComm","2012","14","1","314","","10.1039/c1ce05605k","","","0.71073","MoKα","","0.075","0.049","","","0.1322","0.15","","","","","","1.012","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206933","12.0418","0.0003","15.7976","0.0003","11.0989","0.0003","90","","107.98","0.001","90","","2008.25","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H42 N8 O34 V10 -","- C14 H42 N8 O34 V10 -","- C28 H84 N16 O68 V20 -","2","0.5","","Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long","Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction","CrystEngComm","2012","14","1","314","","10.1039/c1ce05605k","","","0.71073","MoKα","","0.0469","0.0352","","","0.0932","0.1004","","","","","","1","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206934","5.2586","0.0002","8.916","0.0003","13.8165","0.0005","90","","90.5","0.002","90","","647.77","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl N2 -","- C7 H5 Cl N2 -","- C28 H20 Cl4 N8 -","4","1","","Hazra, Dipak K.; Mukherjee, Alok K.; Helliwell, Madeleine; Mukherjee, Monika","Topological features and electronic structure of 4-chloro-1H-pyrrolo[2,3-b]pyridine: experimental charge density analysis and DFT studies","CrystEngComm","2012","14","3","993","","10.1039/c1ce05615h","","","0.71073","MoKα","","0.0617","0.0543","","","0.1268","0.1297","","","","","","1.273","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206935","7.5975","0.0005","12.2026","0.0007","12.8137","0.0008","61.607","0.006","77.247","0.005","78.353","0.005","1012.74","0.12","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","2","","Spingler, Bernhard; Schnidrig, Stephan; Todorova, Tonya; Wild, Ferdinand","Some thoughts about the single crystal growth of small molecules","CrystEngComm","2012","14","3","751","","10.1039/c1ce05624g","","","0.7107","MoKα","","0.1382","0.0479","","","0.0782","0.0902","","","","","","0.81","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206936","9.3329","0.0002","12.7049","0.0003","9.1195","0.0002","90","","98.085","0.002","90","","1070.58","0.04","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C48 H44 N8 O8 -","2","0.5","","Spingler, Bernhard; Schnidrig, Stephan; Todorova, Tonya; Wild, Ferdinand","Some thoughts about the single crystal growth of small molecules","CrystEngComm","2012","14","3","751","","10.1039/c1ce05624g","","","0.7107","MoKα","","0.0558","0.0464","","","0.1216","0.1294","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206937","27.84","0.006","21.605","0.004","20.145","0.004","90","","90","","90","","12117","4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C100 H80 Cu6 N20 O39 P W11 -","- C100 H80 Cu6 N20 O39 P W11 -","- C400 H320 Cu24 N80 O156 P4 W44 -","4","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.1737","0.0694","","","0.1665","0.2347","","","","","","1.057","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206938","28.117","0.002","21.4312","0.0016","19.6445","0.0014","90","","90","","90","","11837.4","1.5","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C100 H80 B Cu5 N20 O40 W12 -","- C100 H80 B Cu5 N20 O40 W12 -","- C400 H320 B4 Cu20 N80 O160 W48 -","4","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.0857","0.0453","","","0.1025","0.134","","","","","","0.999","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206939","12.506","0.003","14.025","0.003","31.972","0.006","78.45","0.03","82.58","0.03","87.87","0.03","5448","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H72 B Cu5 N16 O44 W12 -","- C96 H64 B Cu5 N16 O44 W12 -","- C192 H128 B2 Cu10 N32 O88 W24 -","2","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.095","0.0645","","","0.1694","0.1989","","","","","","1.041","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206940","13.4495","0.0019","13.716","0.002","28.536","0.004","82.489","0.012","79.829","0.009","79.841","0.012","5073.2","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 Cu4 N16 O40 Si W12 -","- C80 H64 Cu4 N16 O40 Si W12 -","- C160 H128 Cu8 N32 O80 Si2 W24 -","2","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.108","0.0501","","","0.1149","0.145","","","","","","1.023","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206941","13.297","0.003","13.673","0.003","28.4","0.006","82.43","0.03","80.66","0.03","79.91","0.03","4988","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 Cu4 N16 O40 P W12 -","- C80 H64 Cu4 N16 O40 P W12 -","- C160 H128 Cu8 N32 O80 P2 W24 -","2","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.1066","0.0633","","","0.1445","0.1711","","","","","","1.057","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206942","13.0132","0.0008","4.8558","0.0003","16.371","0.001","90","","109.235","0.003","90","","976.73","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","1.54178","CuKα","","0.0288","0.0263","","","0.0683","0.0795","","","","","","1.108","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206943","17.264","0.002","4.7225","0.0007","11.9008","0.0017","90","","90.091","0.002","90","","970.3","0.2","296","2","296","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.1001","0.0768","","","0.2048","0.2257","","","","","","1.017","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206944","4.8768","0.0002","7.2147","0.0003","28.5203","0.0011","90","","90","","90","","1003.48","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","1.54178","CuKα","","0.0294","0.0288","","","0.0764","0.0771","","","","","","1.047","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206945","12.513","0.001","4.9317","0.0005","16.282","0.001","90","","97.159","0.006","90","","996.94","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.1314","0.047","","","0.0842","0.1076","","","","","","0.918","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206946","12.3381","0.001","4.7318","0.0003","32.877","0.003","90","","90","","90","","1919.4","0.3","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.0753","0.0568","","","0.1447","0.1581","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206947","11.953","0.0007","7.2717","0.0003","17.7746","0.0008","90","","104.482","0.005","90","","1495.86","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O8 Zn -","- C16 H12 O8 Zn -","- C64 H48 O32 Zn4 -","4","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0542","0.0335","","","0.0698","0.0728","","","","","","0.902","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206948","9.955","0.005","10.55","0.004","14.073","0.003","88.346","0.002","69.302","0.003","64.514","0.005","1234.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 N2 O8.5 Zn -","- C28 H21 N2 O8.5 Zn -","- C56 H42 N4 O17 Zn2 -","2","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71069","MoKα","","0.0366","0.0279","","","0.0745","0.0764","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206949","8.659","0.0003","9.9594","0.0004","12.8686","0.0006","94.713","0.004","101.475","0.003","92.54","0.003","1081.82","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N6 O7 Zn -","- C22 H18 N6 O7 Zn -","- C44 H36 N12 O14 Zn2 -","2","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0654","0.043","","","0.1022","0.1064","","","","","","0.925","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206950","11.8109","0.0006","13.7859","0.0005","16.9387","0.0006","67.887","0.004","87.405","0.004","71.034","0.004","2407.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 N12 O16 Zn2 -","- C46 H44 N12 O16 Zn2 -","- C92 H88 N24 O32 Zn4 -","2","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.079","0.0398","","","0.0842","0.0892","","","","","","0.834","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206951","15.124","0.0007","13.8252","0.0005","9.5104","0.0004","90","","102.674","0.004","90","","1940.1","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H72 N12 O28 Zn4 -","- C84 H72 N12 O28 Zn4 -","- C84 H72 N12 O28 Zn4 -","1","0.25","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0481","0.0285","","","0.0563","0.0584","","","","","","0.854","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206952","14.978","0.0005","32.6149","0.0011","6.3668","0.0002","90","","90","","90","","3110.22","0.18","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H26 N6 O7 Zn -","- C34 H26 N6 O7 Zn -","- C136 H104 N24 O28 Zn4 -","4","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.083","0.0336","","","0.0315","0.0343","","","","","","0.748","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206953","6.8167","0.0004","10.8308","0.0005","12.0167","0.0007","86.596","0.004","83.997","0.005","73.499","0.004","845.58","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 Cu4 O19 -","- C32 H26 Cu4 O19 -","- C32 H26 Cu4 O19 -","1","0.5","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0401","0.0281","","","0.0637","0.0654","","","","","","0.924","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206954","16.3292","0.0004","16.3292","0.0004","19.9708","0.0006","90","","90","","90","","5325.1","0.2","293","2","293","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C64 H40 Cd3 N16 O8 -","- C64 H40 Cd3 N16 O8 -","- C256 H160 Cd12 N64 O32 -","4","0.25","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1186","0.0346","","","0.0276","0.0308","","","","","","0.887","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206955","16.172","0.005","16.172","0.005","19.553","0.005","90","0.005","90","0.005","90","0.005","5114","3","150","2","150","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C64 H40 Fe3 N16 O8 -","- C64 H40 Fe3 N16 O8 -","- C256 H160 Fe12 N64 O32 -","4","0.25","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1152","0.0539","","","0.1418","0.1598","","","","","","0.807","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206956","18.046","0.004","14.024","0.003","13.553","0.003","90","","90.2","0.03","90","","3429.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Fe3 N8 O9 -","- C36 H24 Fe3 N8 O9 -","- C144 H96 Fe12 N32 O36 -","4","1","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1396","0.1036","","","0.2898","0.3076","","","","","","1.075","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206957","6.8088","0.0003","7.4891","0.0004","14.8396","0.0008","90","","100.854","0.005","90","","743.16","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.086","0.0412","","","0.1199","0.1337","","","","","","1.029","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206958","9.2834","0.0007","8.5265","0.0005","9.8621","0.0007","90","","93.062","0.006","90","","779.52","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C36 H48 O8 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.1235","0.0394","","","0.0528","0.0633","","","","","","0.89","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206959","10.3618","0.0007","6.6849","0.0005","14.6052","0.0011","90","","107.353","0.007","90","","965.62","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Br2 O2 -","- C9 H6 Br2 O2 -","- C36 H24 Br8 O8 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.1657","0.071","","","0.2302","0.2735","","","","","","0.873","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206960","7.3655","0.0005","11.7786","0.0009","5.5546","0.0004","90","","90","","90","","481.89","0.06","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C11 H10 N2 -","- C11 H10 N2 -","- C22 H20 N4 -","2","0.5","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.0544","0.031","","","0.0667","0.0727","","","","","","0.918","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206961","9.7848","0.0001","14.8435","0.0001","8.4224","0.0001","90","","96.749","0.001","90","","1214.8","0.02","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Eu N O8 -","- C9 H8 Eu N O8 -","- C36 H32 Eu4 N4 O32 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0241","0.0205","","","0.0467","0.0482","","","","","","1.06","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206962","9.7677","0.0002","14.8211","0.0003","8.4033","0.0002","90","","96.421","0.001","90","","1208.9","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Gd N O8 -","- C9 H8 Gd N O8 -","- C36 H32 Gd4 N4 O32 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0254","0.0209","","","0.0463","0.0482","","","","","","1.04","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206963","9.9138","0.0001","14.9969","0.0002","8.5545","0.0001","90","","98.582","0.001","90","","1257.61","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 La N O8 -","- C9 H8 La N O8 -","- C36 H32 La4 N4 O32 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0294","0.0247","","","0.0563","0.0586","","","","","","1.052","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206964","9.7567","0.0001","14.7443","0.0002","8.3919","0.0001","90","","96.679","0.001","90","","1199.03","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N O8 Tb -","- C9 H8 N O8 Tb -","- C36 H32 N4 O32 Tb4 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0273","0.0224","","","0.0503","0.0525","","","","","","1.021","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206965","11.3769","0.0005","8.3198","0.0004","21.4511","0.001","90","","98.021","0.003","90","","2010.56","0.16","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23.5 O10.5 -","- C19 H23.5 O10.5 -","- C76 H94 O42 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C–H⋯O and orthogonal CO⋯CO molecular interaction patterns","CrystEngComm","2012","14","1","138","","10.1039/c1ce05728f","","","0.71073","MoKα","","0.083","0.0588","","","0.1606","0.1808","","","","","","1.031","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206966","11.0883","0.0005","8.5689","0.0003","21.5332","0.0009","90","","93.104","0.001","90","","2042.97","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 O10 -","- C20 H23 O10 -","- C80 H92 O40 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C–H⋯O and orthogonal CO⋯CO molecular interaction patterns","CrystEngComm","2012","14","1","138","","10.1039/c1ce05728f","","","0.71073","MoKα","","0.0393","0.0355","","","0.0953","0.1003","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206967","7.255","0.0002","9.2807","0.0003","13.0344","0.0004","77.359","0.001","78.816","0.001","88.811","0.001","839.87","0.04","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 O10 -","- C16 H18 O10 -","- C32 H36 O20 -","2","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C–H⋯O and orthogonal CO⋯CO molecular interaction patterns","CrystEngComm","2012","14","1","138","","10.1039/c1ce05728f","","","0.71073","MoKα","","0.0355","0.0329","","","0.0859","0.0888","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206968","10.8013","0.0003","17.556","0.0005","20.4806","0.0005","69.649","0.002","76.099","0.002","73.507","0.002","3447.92","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60.5 H96 Ag F6 O20 P -","- C60.5 H94 Ag F6 O20 P -","- C121 H188 Ag2 F12 O40 P2 -","2","1","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54184","CuKα","","0.0949","0.0623","","","0.1548","0.1762","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206969","21.3724","0.0005","24.3735","0.0004","24.5548","0.0005","112.362","0.0008","106.978","0.0009","105.948","0.0009","10180.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H88 Ag2 F12 O16 P2 -","- C60 H88 Ag2 F12 O16 P2 -","- C360 H528 Ag12 F72 O96 P12 -","6","3","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.1457","0.0996","","","0.2436","0.2758","","","","","","1.045","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206970","15.1333","0.0004","19.3949","0.0005","23.3326","0.0006","90","","90","","90","","6848.3","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H92 Ag2 F12 O16 P2 -","- C62 H92 Ag2 F12 O16 P2 -","- C248 H368 Ag8 F48 O64 P8 -","4","0.5","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.0904","0.0533","","","0.1145","0.1316","","","","","","1.036","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206971","14.8806","0.0003","19.7336","0.0004","23.4274","0.0006","90","","90","","90","","6879.4","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H92 Ag2 F12 O16 P2 -","- C62 H92 Ag2 F12 O16 P2 -","- C248 H368 Ag8 F48 O64 P8 -","4","0.5","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.0899","0.0558","","","0.1231","0.1422","","","","","","1.02","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206972","5.8602","0.0009","11.1388","0.0017","12.2634","0.0018","77.982","0.002","77.019","0.002","80.274","0.002","756.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cu N2 O10 -","- C32 H32 Cu N2 O10 -","- C32 H32 Cu N2 O10 -","1","0.5","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.048","0.0369","","","0.075","0.0795","","","","","","1.034","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206973","16.475","0.003","20.866","0.004","12.955","0.002","90","","92.389","0.002","90","","4449.6","1.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H46 Cu2 N4 O13 -","- C44 H46 Cu2 N4 O13 -","- C176 H184 Cu8 N16 O52 -","4","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.0562","0.0407","","","0.088","0.0951","","","","","","1.029","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206974","28.262","0.005","9.1619","0.0018","20.511","0.004","90","","90","","90","","5311","1.7","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C28 H25 N3 Ni O5 -","- C28 H25 N3 Ni O5 -","- C224 H200 N24 Ni8 O40 -","8","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.1216","0.0674","","","0.1716","0.2049","","","","","","1.108","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206975","7.57","0.02","10.52","0.03","12.86","0.03","92.6","0.03","100.14","0.03","93.61","0.03","1004","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 N4 Ni O10 -","- C44 H46 N4 Ni O10 -","- C44 H46 N4 Ni O10 -","1","0.5","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.1165","0.0747","","","0.1748","0.1979","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206976","7.1309","0.0009","11.1104","0.0015","13.2196","0.0017","91.756","0.002","91.702","0.002","92.444","0.002","1045.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Co N4 O12 -","- C44 H50 Co N4 O12 -","- C44 H50 Co N4 O12 -","1","0.5","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.057","0.0412","","","0.0887","0.0935","","","","","","1.049","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206977","10.4471","0.0009","11.3138","0.0009","16.9704","0.0014","87.387","0.001","80.218","0.001","66.141","0.001","1807.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Co2 N3 O9 -","- C38 H36 Co2 N3 O9 -","- C76 H72 Co4 N6 O18 -","2","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.0369","0.0293","","","0.0748","0.078","","","","","","1.027","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206978","10.507","0.002","10.643","0.002","23.51","0.005","90","","90","","90","","2629","0.9","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cu4 I6 N4 -","- C14 H14 Cu4 I6 N4 -","- C56 H56 Cu16 I24 N16 -","4","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0618","0.0523","","","0.1217","0.1349","","","","","","1.003","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206979","14.015","0.003","14.015","0.003","6.6579","0.0013","90","","90","","90","","1307.7","0.5","223","2","223","2","","","","","","","","5","P 42","P 4c","77","","","","- C9 H11 Cu I2 N2 -","- C9 H11 Cu I2 N2 -","- C36 H44 Cu4 I8 N8 -","4","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0366","0.0293","","","0.0496","0.0526","","","","","","0.991","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206980","20.19","0.003","20.19","0.003","6.4628","0.0013","90","","90","","90","","2634.5","0.8","223","2","223","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C9 H11 Cu I2 N2 -","- C9 H11 Cu I2 N2 -","- C72 H88 Cu8 I16 N16 -","8","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0529","0.0509","","","0.1193","0.1208","","","","","","1.036","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206981","12.472","0.0018","12.472","0.0018","6.7927","0.0014","90","","90","","90","","1056.6","0.3","223","2","223","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C7 H9 Cu I2 N -","- C7 H10 Cu I2 N -","- C28 H40 Cu4 I8 N4 -","4","0.25","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0316","0.0299","","","0.0756","0.0765","","","","","","1.172","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206982","17.911","0.003","17.911","0.003","6.827","0.0014","90","","90","","90","","2190.1","0.7","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H11 Cu I2 N -","- C8 H11 Cu I2 N -","- C64 H88 Cu8 I16 N8 -","8","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0435","0.0407","","","0.089","0.0902","","","","","","1.174","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206983","9.2235","0.001","9.83","0.001","10.5498","0.0013","84.376","0.007","65.63","0.006","86.336","0.008","866.81","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O10 U -","- C12 H14 N2 O10 U -","- C24 H28 N4 O20 U2 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0335","0.0282","","","0.0678","0.0693","","","","","","1.026","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206984","9.1796","0.0006","9.9326","0.0006","10.5607","0.0006","88.852","0.004","65.327","0.004","84.468","0.003","870.7","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N3 O7.5 U -","- C15 H14 N3 O7.5 U -","- C30 H28 N6 O15 U2 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0275","0.0261","","","0.0651","0.0657","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206985","8.9172","0.0006","27.7936","0.0018","10.6743","0.0005","90","","113.777","0.004","90","","2421","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 O11 U -","- C24 H16 N4 O11 U -","- C96 H64 N16 O44 U4 -","4","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.03","0.0212","","","0.0465","0.0484","","","","","","1.022","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206986","5.5628","0.0003","6.5429","0.0003","13.8049","0.0009","99.877","0.004","91.181","0.004","111.977","0.003","457.06","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 O14 U -","- C16 H16 O14 U -","- C16 H16 O14 U -","1","0.5","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0218","0.0206","","","0.0498","0.0499","","","","","","1.058","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206987","13.2312","0.0004","12.9824","0.0007","25.096","0.0013","90","","96.853","0.003","90","","4280","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H50 O38 U3 -","- C24 H42 O38 U3 -","- C96 H168 O152 U12 -","4","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0584","0.0345","","","0.0656","0.0703","","","","","","1.016","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206988","10.963","0.007","7.953","0.004","16.433","0.006","90","","97.92","0.03","90","","1419.1","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.0514","0.0511","","","0.1112","0.1113","","","","","","1.489","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206989","15.027","0.011","5.096","0.003","18.258","0.007","90","","104.15","0.03","90","","1355.7","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.0588","0.0519","","","0.1541","0.1593","","","","","","1.105","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206990","71.963","0.014","4.995","0.002","8.096","0.011","90","","92.19","0.08","90","","2908","4","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 N5 O6 -","- C28 H43 N5 O6 -","- C112 H172 N20 O24 -","4","0.5","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.259","0.0612","","","0.1866","0.2558","","","","","","0.935","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206991","19.3146","0.0004","8.46572","0.00007","8.94208","0.0001","90","","94.522","0.0012","90","","1457.59","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","suberoylanilide hydroxamic acid","suberoylanilide hydroxamic acid","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","powder diffraction","","1.5418","CuKα","","","","","","","","","2.8322","","","","","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206992","10.511","0.0013","16.749","0.002","18.137","0.002","88.538","0.002","77.585","0.002","87.949","0.002","3115.8","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H84 O18 S4 -","- C56 H84 O18 S4 -","- C112 H168 O36 S8 -","2","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1092","0.0831","","","0.2157","0.233","","","","","","1.037","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206993","10.501","0.008","30.32","0.02","18.838","0.014","90","","101.453","0.015","90","","5878","7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C54 H72 O16 S4 -","- C54 H72 O16 S4 -","- C216 H288 O64 S16 -","4","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1585","0.1143","","","0.2411","0.2646","","","","","","1.117","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206994","17.0728","0.0015","20.25","0.0018","17.4372","0.0016","90","","103.453","0.002","90","","5863","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H64 N O14 S4 -","- C53 H64 N O14 S4 -","- C212 H256 N4 O56 S16 -","4","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.0987","0.0549","","","0.1348","0.1466","","","","","","0.888","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7206995","10.3369","0.0008","13.2291","0.001","13.3387","0.0011","85.405","0.001","79.615","0.001","81.554","0.001","1772","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 O14 S4 -","- C34 H32 O14 S4 -","- C68 H64 O28 S8 -","2","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.0772","0.0562","","","0.133","0.1444","","","","","","0.996","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206996","10.0799","0.0016","10.1897","0.0017","20.368","0.003","98.999","0.002","90.299","0.002","115.445","0.002","1859.7","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 O14 S4 -","- C35 H32 O14 S4 -","- C70 H64 O28 S8 -","2","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.0595","0.0424","","","0.0957","0.1073","","","","","","1.021","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7206997","7.9311","0.0007","19.6432","0.0017","15.5657","0.0013","90","","90","","90","","2425","0.4","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C52 H44 N4 O14 S4 -","- C52 H28 N4 O14 S4 -","- C104 H56 N8 O28 S8 -","2","0.25","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1294","0.1231","","","0.2887","0.2913","","","","","","1.269","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206998","22.541","0.0006","22.541","0.0006","14.6276","0.0005","90","","90","","90","","7432.2","0.4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H20 Cu2 I2 N4 -","- C14 H20 Cu2 I2 N4 -","- C224 H320 Cu32 I32 N64 -","16","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0365","0.0324","","","0.0838","0.0857","","","","","","1.071","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206999","9.171","0.0005","9.8","0.0005","19.7984","0.001","90","","94.348","0.001","90","","1774.28","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Cl2 Co N8 O12 -","- C26 H44 Cl2 Co N8 O12 -","- C52 H88 Cl4 Co2 N16 O24 -","2","0.5","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0423","0.0379","","","0.0962","0.0988","","","","","","1.062","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207000","12.4667","0.0006","9.3666","0.0005","14.1959","0.0007","90","","112.62","0.001","90","","1530.15","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 N4 Zn -","- C12 H16 Cl2 N4 Zn -","- C48 H64 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0258","0.0241","","","0.0638","0.0646","","","","","","1.067","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207001","16.6738","0.0008","8.988","0.0004","11.4645","0.0006","90","","106.824","0.001","90","","1644.58","0.14","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N4 Zn -","- C13 H18 Cl2 N4 Zn -","- C52 H72 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0344","0.0289","","","0.0869","0.1067","","","","","","1.226","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207002","11.9395","0.0006","8.8292","0.0005","15.6367","0.0009","90","","96.73","0.001","90","","1637","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl2 N4 Zn -","- C14 H20 Cl2 N4 Zn -","- C56 H80 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0426","0.0353","","","0.0835","0.0866","","","","","","1.044","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207003","9.1059","0.0007","9.757","0.0007","19.2007","0.0014","90","","101.22","0.002","90","","1673.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl2 Co N8 O12 -","- C24 H40 Cl2 Co N8 O12 -","- C48 H80 Cl4 Co2 N16 O24 -","2","0.5","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0398","0.0353","","","0.0891","0.0921","","","","","","1.053","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207004","8.9695","0.0005","15.7723","0.0009","12.5159","0.0007","90","","98.588","0.001","90","","1750.77","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 Cl2 Cu N8 O11 -","- C26.723 H42.892 Cl2 Cu N8 O10.723 -","- C53.446 H85.784 Cl4 Cu2 N16 O21.446 -","2","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.046","0.0419","","","0.106","0.1198","","","","","","1.093","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207005","8.9908","0.0013","15.88","0.002","12.7955","0.0018","90","","100.11","0.003","90","","1798.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H46 Cl2 Cu N8 O11 -","- C28 H46 Cl2 Cu N8 O11 -","- C56 H92 Cl4 Cu2 N16 O22 -","2","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0506","0.047","","","0.1128","0.1158","","","","","","1.041","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207006","8.911","0.008","10.004","0.009","19.252","0.017","90","","101.2","0.02","90","","1684","3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl2 Cu N8 O12 -","- C24 H40 Cl2 Cu N8 O12 -","- C48 H80 Cl4 Cu2 N16 O24 -","2","0.5","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.083","0.0659","","","0.173","0.1862","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207007","8.7644","0.0006","15.8088","0.0011","11.4395","0.0008","90","","104.002","0.002","90","","1537.9","0.19","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 N4 Zn -","- C12 H16 Cl2 N4 Zn -","- C48 H64 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0444","0.0373","","","0.0933","0.0966","","","","","","1.066","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207008","8.7376","0.0014","15.69","0.003","11.0903","0.0017","90","","102.331","0.003","90","","1485.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 N4 Zn -","- C12 H16 Cl2 N4 Zn -","- C48 H64 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0265","0.0242","","","0.0608","0.0618","","","","","","1.056","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207009","10.253","0.005","10.665","0.005","10.74","0.005","94.601","0.005","113.788","0.005","110.685","0.005","970.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 N2 O14 Zn3 -","- C42 H28 N2 O14 Zn3 -","- C42 H28 N2 O14 Zn3 -","1","0.5","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.0411","0.0297","","","0.082","0.0883","","","","","","1.039","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207010","15.236","0.005","13.873","0.005","15.344","0.005","90","","109.954","0.005","90","","3048.5","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N2 O11 Zn2 -","- C34 H24 N2 O11 Zn2 -","- C136 H96 N8 O44 Zn8 -","4","0.5","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.0635","0.0418","","","0.1199","0.1355","","","","","","0.902","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207011","26.912","0.005","14.301","0.005","13.659","0.005","90","","98.357","0.005","90","","5201","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N4 O17 Zn2 -","- C54 H40 N4 O17 Zn2 -","- C216 H160 N16 O68 Zn8 -","4","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.1639","0.0695","","","0.1681","0.1941","","","","","","1.02","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207012","8.359","0.005","16.453","0.005","25.367","0.005","90","0.005","94.624","0.005","90","0.005","3477","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N2 O15 Zn2 -","- C36 H24 N2 O15 Zn2 -","- C144 H96 N8 O60 Zn8 -","4","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.072","0.0431","","","0.1003","0.118","","","","","","1.013","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207013","8.536","0.005","11.784","0.005","17.045","0.005","78.081","0.005","78.047","0.005","78.722","0.005","1620.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N2 O15 Zn2 -","- C36 H26 N2 O15 Zn2 -","- C72 H52 N4 O30 Zn4 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.0728","0.0463","","","0.1159","0.1281","","","","","","1.037","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207014","10.3966","0.0011","10.3966","0.0011","27.848","0.006","90","","90","","120","","2606.8","0.7","298","2","298","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H60 Cl4 Cu5 N6 O34 -","- C30 H60 Cl4 Cu5 N6 O34 -","- C60 H120 Cl8 Cu10 N12 O68 -","2","0.166667","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0883","0.0657","","","0.1729","0.1847","","","","","","1.168","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207015","12.8299","0.0016","28.962","0.0018","15.5709","0.0011","90","","103.01","0.02","90","","5637.3","1","291","2","291","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H150 Cl6 N12 O75 Zn9 -","- C60 H150 Cl6 N12 O75 Zn9 -","- C120 H300 Cl12 N24 O150 Zn18 -","2","0.25","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0542","0.0443","","","0.1158","0.1204","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207016","9.5334","0.0019","10.12","0.002","12.316","0.002","70.239","0.003","86.463","0.003","70.013","0.003","1048.9","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 Cd2 Cl2 N6 O20 -","- C30 H52 Cd2 Cl2 N6 O20 -","- C30 H52 Cd2 Cl2 N6 O20 -","1","0.5","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0792","0.0591","","","0.114","0.1189","","","","","","1.013","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207017","24.083","0.003","8.6672","0.0017","18.565","0.002","90","","119.03","0.03","90","","3388.3","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Cd Cl N3 O8 -","- C10 H24 Cd Cl N3 O8 -","- C80 H192 Cd8 Cl8 N24 O64 -","8","1","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.1484","0.0929","","","0.1923","0.2127","","","","","","1.184","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207018","6.793","0.005","19.313","0.005","18.629","0.005","90","0.005","100.286","0.005","90","0.005","2405","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cu N5 O9 -","- C24 H20 Cu N5 O9 -","- C96 H80 Cu4 N20 O36 -","4","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71069","MoKα","","0.0627","0.039","","","0.0856","0.0936","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207019","10.215","0.005","11.102","0.005","15.493","0.005","90","0.005","91.653","0.005","90","0.005","1756.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cu N3 O9 -","- C16 H13 Cu N3 O9 -","- C64 H52 Cu4 N12 O36 -","4","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71069","MoKα","","0.037","0.0341","","","0.0969","0.0988","","","","","","1.087","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207020","8.516","0.0015","10.2138","0.0019","10.5778","0.0019","108.121","0.002","93.204","0.002","101.663","0.002","849.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cd N3 O7 -","- C16 H11 Cd N3 O7 -","- C32 H22 Cd2 N6 O14 -","2","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71073","MoKα","","0.041","0.0329","","","0.0741","0.0773","","","","","","1.014","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207021","11.5358","0.0008","8.9425","0.0006","12.825","0.0009","90","","101.533","0.001","90","","1296.3","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Cd N5 O10 -","- C24 H22 Cd N5 O10 -","- C48 H44 Cd2 N10 O20 -","2","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71073","MoKα","","0.0187","0.0183","","","0.0531","0.0536","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207022","24.252","0.003","8.9154","0.0011","14.8686","0.0018","90","","109.953","0.001","90","","3021.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cd N6 O3 -","- C13 H10 Cd N6 O3 -","- C104 H80 Cd8 N48 O24 -","8","1","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0552","0.0433","","","0.1221","0.132","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207023","23.742","0.005","8.9651","0.0018","16.641","0.003","90","","108.13","0.03","90","","3366.2","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24.48 Cd2 N20 O2.24 -","- C26 H24.48 Cd2 N20 O2.24 -","- C104 H97.92 Cd8 N80 O8.96 -","4","0.5","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0659","0.059","","","0.1563","0.1672","","","","","","1.046","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207024","22.854","0.005","8.9005","0.0019","15.976","0.003","90","","108.176","0.002","90","","3087.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N20 O3 Zn2 -","- C26 H26 N20 O3 Zn2 -","- C104 H104 N80 O12 Zn8 -","4","0.5","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0352","0.0282","","","0.0692","0.0728","","","","","","1.067","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207025","13.78","0.002","7.6575","0.0013","10.3601","0.0018","90","","101.124","0.002","90","","1072.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cd N9 -","- C8 H6 Cd N9 -","- C32 H24 Cd4 N36 -","4","1","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0289","0.027","","","0.0672","0.0682","","","","","","1.136","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207026","16.896","0.003","16.987","0.003","9.7748","0.0019","90","","119.087","0.002","90","","2451.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N10 O7 Zn2 -","- C16 H20 N10 O7 Zn2 -","- C64 H80 N40 O28 Zn8 -","4","0.5","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0454","0.0371","","","0.1105","0.1151","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207027","14.078","0.003","9.3366","0.0017","22.029","0.004","90","","100.811","0.003","90","","2844.1","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Mn2 N20 -","- C26 H20 Mn2 N20 -","- C104 H80 Mn8 N80 -","4","1","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.1031","0.0493","","","0.1022","0.1214","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207028","6.4347","0.0006","6.917","0.0007","7.7596","0.0006","90.268","0.004","107.581","0.004","108.201","0.003","310.89","0.05","167","2","167","2","","","","","","","","5","P -1","-P 1","2","Trans-diaqua-bis(ethylenediamine-N, N')-copper(ii) oxalate","Trans-diaqua-bis(ethylenediamine-N, N')-copper(II) oxalate","","- C6 H20 Cu N4 O6 -","- C6 H20 Cu N4 O6 -","- C6 H20 Cu N4 O6 -","1","0.5","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.046","0.0414","","","0.0951","0.0982","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207029","9.8795","0.0009","9.6336","0.0009","14.4612","0.0015","90","","91.718","0.005","90","","1375.7","0.2","167","2","167","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tris(ethylenediamine-N,N')-copper(ii) oxalate","tris(ethylenediamine-N,N')-copper(II) oxalate","","- C8 H24 Cu N6 O4 -","- C8 H24 Cu N6 O4 -","- C32 H96 Cu4 N24 O16 -","4","1","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.1153","0.0628","","","0.1265","0.143","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207030","7.4525","0.0019","8.971","0.002","13.349","0.004","71.49","0.02","89.61","0.02","82.827","0.018","839.2","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","di-(tris-(ethylenediamine-N,N')-cobalt(iii)) tris-oxalate. 3.61 H2O","di-[tris-(ethylenediamine-N,N')-cobalt(III)] tris- oxalate. 3.61 H2O","","- C9 H27.61 Co N6 O7.805 -","- C9 H24 Co N6 O7.804 -","- C18 H48 Co2 N12 O15.608 -","2","1","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.0896","0.0789","","","0.2028","0.2147","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207031","28.964","0.002","10.3615","0.0005","12.7579","0.0008","90","","114.446","0.002","90","","3485.5","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","di-(tris-(ethylenediamine-N,N')-cobalt(iii)) tris-oxalate. 3.5 H2O","di-[tris-(ethylenediamine-N,N')-cobalt(III)] tris- oxalate. 3.5 H2O","","- C18 H62 Co2 N12 O19 -","- C18 H48 Co2 N12 O19 -","- C72 H192 Co8 N48 O76 -","4","0.5","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.1132","0.0641","","","0.1532","0.1759","","","","","","1.052","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207032","11.805","0.002","24.903","0.005","9.881","0.002","90","","103.12","0.03","90","","2829","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 In N2 O6 -","- C33 H20 In N2 O6 -","- C132 H80 In4 N8 O24 -","4","1","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.0729","0.0405","","","0.0783","0.0887","","","","","","1.017","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207033","5.9716","0.0012","28.516","0.006","7.5076","0.0015","90","","90","","90","","1278.4","0.5","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H11 In O6 -","- C14 H11 In O6 -","- C56 H44 In4 O24 -","4","0.5","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.0394","0.0366","","","0.1212","0.1228","","","","","","1.019","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207034","23.129","0.005","39.47","0.008","40.61","0.008","90","","90","","90","","37073","13","294","2","294","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C30 H26 In N O9 -","- C30 H20 In N O9 -","- C960 H640 In32 N32 O288 -","32","1","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.1479","0.0696","","","0.1404","0.1613","","","","","","1.035","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207035","10.4984","0.0003","7.7273","0.0002","15.4282","0.0004","90","","97.228","0.002","90","","1241.66","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Mn O8 -","- C11 H9 Mn O8 -","- C44 H36 Mn4 O32 -","4","1","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0449","0.0353","","","0.1046","0.1072","","","","","","1.095","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207036","17.3858","0.0005","7.7932","0.0003","10.8696","0.0004","90","","93.685","0.003","90","","1469.69","0.09","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H36 Mn2 O20 -","- C22 H17 Mn2 O20 -","- C44 H34 Mn4 O40 -","2","0.5","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0398","0.0364","","","0.0944","0.0962","","","","","","1.024","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207037","14.862","0.004","6.2531","0.0018","10.122","0.003","90","","90.938","0.004","90","","940.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Mn O7 -","- C8 H6 Mn O7 -","- C32 H24 Mn4 O28 -","4","1","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0329","0.0303","","","0.0876","0.0891","","","","","","1.106","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207038","18.7769","0.0014","19.8686","0.0014","8.7734","0.0006","90","","100.967","0.006","90","","3213.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N10 O4 Zn -","- C28 H24 N10 O4 Zn -","- C112 H96 N40 O16 Zn4 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.0917","0.0692","","","0.2033","0.2168","","","","","","1.038","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207039","18.7806","0.0005","19.9045","0.0005","8.7871","0.0002","90","","100.981","0.001","90","","3224.64","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N10 O Zn -","- C28 H24 N10 O Zn -","- C112 H96 N40 O4 Zn4 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.1016","0.0815","","","0.2585","0.2764","","","","","","1.151","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207040","18.5462","0.0009","20.0824","0.001","8.7759","0.0005","90","","101.244","0.003","90","","3205.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N10 O5 Zn -","- C28 H24 N10 O5 Zn -","- C112 H96 N40 O20 Zn4 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.1247","0.0809","","","0.2285","0.2649","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207041","18.5114","0.0007","20.0115","0.0008","8.7093","0.0003","90","","100.555","0.002","90","","3171.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co N10 O4 -","- C28 H24 Co N10 O4 -","- C112 H96 Co4 N40 O16 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.0903","0.0669","","","0.2051","0.2256","","","","","","1.066","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207042","9.545","0.004","10.223","0.003","13.408","0.006","72.634","0.006","74.208","0.005","62.075","0.005","1089.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H28 N4 O7 S -","- C17 H28 N4 O7 S -","- C34 H56 N8 O14 S2 -","2","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Chiral drug timolol maleate as a continuous solid solution: Thermochemical and single crystal X-ray evidence","CrystEngComm","2012","14","2","648","","10.1039/c1ce05850a","","","0.71073","MoKα","","0.1652","0.0521","","","0.0825","0.1015","","","","","","1.027","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207043","9.755","0.002","10.131","0.002","13.114","0.003","75.536","0.017","71.965","0.018","62.562","0.015","1084.9","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H28 N4 O7 S -","- C17 H28 N4 O7 S -","- C34 H56 N8 O14 S2 -","2","2","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Chiral drug timolol maleate as a continuous solid solution: Thermochemical and single crystal X-ray evidence","CrystEngComm","2012","14","2","648","","10.1039/c1ce05850a","","","0.71073","MoKα","","0.0795","0.0469","","","0.1121","0.1301","","","","","","1.013","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207044","13.6224","0.0003","13.6224","0.0003","7.4935","0.0003","90","","90","","120","","1204.27","0.06","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 La2 N6 O27 -","- C30 H36 Cu3 La2 N6 O27 -","- C30 H36 Cu3 La2 N6 O27 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0271","0.0248","","","0.0677","0.0682","","","","","","1.101","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207045","13.6614","0.0019","13.6614","0.0019","7.4147","0.0015","90","","90","","120","","1198.4","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 N6 O27 Pr2 -","- C30 H36 Cu3 N6 O30 Pr2 -","- C30 H36 Cu3 N6 O30 Pr2 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0239","0.0232","","","0.063","0.0637","","","","","","1.078","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207046","13.6319","0.0019","13.6319","0.0019","7.3817","0.0015","90","","90","","120","","1188","0.3","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 N6 Nd2 O27 -","- C30 H36 Cu3 N6 Nd2 O27 -","- C30 H36 Cu3 N6 Nd2 O27 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0296","0.0284","","","0.0733","0.0743","","","","","","1.096","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207047","6.9904","0.0004","9.6565","0.0004","14.2151","0.0006","82.948","0.004","85.238","0.004","76.655","0.004","925.1","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cu La2 N4 O26 -","- C20 H28 Cu La2 N4 O26 -","- C20 H28 Cu La2 N4 O26 -","1","0.5","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.03","0.0237","","","0.0591","0.0599","","","","","","1.046","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207048","6.9645","0.0014","9.7081","0.0019","14.259","0.003","82.88","0.03","85.24","0.03","76.75","0.03","929.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cu N4 O26 Pr2 -","- C20 H28 Cu N4 O26 Pr2 -","- C20 H28 Cu N4 O26 Pr2 -","1","0.5","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0366","0.0297","","","0.0768","0.0807","","","","","","1.088","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207049","6.9007","0.0002","9.6327","0.0004","14.1655","0.0004","82.82","0.003","84.971","0.002","76.703","0.003","907.49","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cu N4 Nd2 O26 -","- C20 H28 Cu N4 Nd2 O26 -","- C20 H28 Cu N4 Nd2 O26 -","1","0.5","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0262","0.0218","","","0.0556","0.0562","","","","","","1.025","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207050","9.6073","0.0011","13.1029","0.0015","15.144","0.0019","90","","100.668","0.004","90","","1873.4","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 Cu N9 O8 -","- C10 H21 Cu N9 O8 -","- C40 H84 Cu4 N36 O32 -","4","1","","Zhu, Xia; Feng, Yun-Fei; Li, Min; Li, Bao-Long; Zhang, Yong","A novel T4(1)6(1) water tape encapsulated in a (3,3)-connected 2D copper metal‒organic framework","CrystEngComm","2012","14","1","79","","10.1039/c1ce05866e","","","0.71075","MoKα","","0.0775","0.061","","","0.1462","0.1572","","","","","","1.085","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207051","13.3464","0.0006","13.8945","0.0004","14.565","0.0006","90","","114.553","0.005","90","","2456.73","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N0 Ni2 O18 -","- C18 H10 Ni2 O18 -","- C72 H40 Ni8 O72 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0381","0.0306","","","0.0893","0.0909","","","","","","1.115","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207052","7.429","","24.143","","24.275","","90","","96.58","","90","","4325.24","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 N8 Ni2 O12 -","- C46 H38 N8 Ni2 O12 -","- C184 H152 N32 Ni8 O48 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0523","0.0308","","","0.064","0.066","","","","","","0.953","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207053","12.6861","0.0008","13.3872","0.001","13.4602","0.0008","91.588","0.005","100.888","0.005","115.561","0.007","2009.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H36 Co2 N6 O12.5 -","- C39 H31 Co2 N6 O12.5 -","- C78 H62 Co4 N12 O25 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.13","0.0462","","","0.0613","0.0663","","","","","","0.797","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207054","17.93","0.005","20.008","0.005","22.662","0.005","90","0.005","90","0.005","90","0.005","8130","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 Co2 N9 O15 -","- C36 H28 Co2 N9 O15 -","- C288 H224 Co16 N72 O120 -","8","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1333","0.0629","","","0.1167","0.1411","","","","","","0.99","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207055","13.2776","0.0004","22.1202","0.0006","14.269","0.0004","90","","112.54","0.004","90","","3870.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C29 H40 N4 Ni2 O17 -","- C29 H10 N4 Ni2 O17 -","- C116 H40 N16 Ni8 O68 -","4","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0761","0.0607","","","0.177","0.1836","","","","","","1.148","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207056","9.536","0.005","10.243","0.005","15.501","0.005","89.398","0.005","76.99","0.005","88.19","0.005","1474.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N4 O12 Zn3 -","- C27 H22 N4 O12 Zn3 -","- C54 H44 N8 O24 Zn6 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.0866","0.0517","","","0.1014","0.1183","","","","","","1.018","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207057","6.6602","0.0003","16.2245","0.0007","18.373","0.0009","90","","90.984","0.004","90","","1985.06","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N6 Ni O8 -","- C16 H15 N6 Ni O8 -","- C64 H60 N24 Ni4 O32 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0598","0.044","","","0.1133","0.1231","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207058","13.088","0.005","16.376","0.005","18.092","0.005","90","0.005","101.446","0.005","90","0.005","3801","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N12 O13 Zn2 -","- C32 H30 N12 O13 Zn2 -","- C128 H120 N48 O52 Zn8 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1319","0.0605","","","0.0866","0.1076","","","","","","0.985","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207059","9.731","0.005","10.12","0.005","10.597","0.005","67.258","0.005","62.83","0.005","75.866","0.005","853.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Co N3 O8.5 -","- C13 H9 Co N3 O8.5 -","- C26 H18 Co2 N6 O17 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1162","0.0691","","","0.1566","0.1864","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207060","21.092","0.005","15.132","0.005","12.318","0.005","90","0.005","100.208","0.005","90","0.005","3869","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N6 O5.5 Zn -","- C17 H17 N6 O5.5 Zn -","- C136 H136 N48 O44 Zn8 -","8","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.2149","0.0996","","","0.1502","0.1817","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207061","10.2763","0.0006","20.067","0.001","35.369","0.002","90","","92.915","0.006","90","","7284.2","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C52.348 H40 Cl0.652 Fe N0.348 O13 S32 -","- C209.392 H160 Cl2.608 Fe4 N1.392 O52 S128 -","4","0.5","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Bulanchuk, Pavlo O.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.","Structural phase transition in the β′′-(BEDT-TTF)4H3O[Fe(C2O4)3]·G crystals (where G is a guest solvent molecule)","CrystEngComm","2012","14","2","460","","10.1039/c1ce05878a","","","0.71073","MoKα","","0.054","0.039","","","0.0954","0.1008","","","","","","1.009","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207062","10.2649","0.0003","11.1956","0.0003","35.1514","0.001","88.619","0.002","86.651","0.002","62.748","0.003","3585.1","0.2","150","1","150","1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C104.7 H80 Cl1.3 Fe2 N0.7 O26 S64 -","2","1","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Bulanchuk, Pavlo O.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.","Structural phase transition in the β′′-(BEDT-TTF)4H3O[Fe(C2O4)3]·G crystals (where G is a guest solvent molecule)","CrystEngComm","2012","14","2","460","","10.1039/c1ce05878a","","","0.71073","MoKα","","0.0635","0.0519","","","0.1251","0.1305","","","","","","1.01","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207063","19.8124","0.0006","6.9607","0.0001","16.8179","0.0004","90","","123.61","0.017","90","","1931.6","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 S7 Sb2 -","- C4 H16 In2 N2 S7 Sb2 -","- C16 H64 In8 N8 S28 Sb8 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0384","0.0338","","","0.0833","0.0875","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207064","20.0561","0.0016","7.0325","0.0003","16.8343","0.0016","90","","123.485","0.012","90","","1980.3","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 S4.8 Sb2 Se2.2 -","- C4 H16 In2 N2 S4.801 Sb2 Se2.199 -","- C16 H64 In8 N8 S19.204 Sb8 Se8.796 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0586","0.0471","","","0.1212","0.1329","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207065","20.2182","0.0019","7.1175","0.0003","16.974","0.003","90","","123.619","0.014","90","","2034.1","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 S2.8 Sb2 Se4.2 -","- C4 H16 In2 N2 S2.8 Sb2 Se4.2 -","- C16 H64 In8 N8 S11.2 Sb8 Se16.8 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0611","0.039","","","0.0596","0.0659","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207066","20.3648","0.0011","7.1872","0.0002","17.1677","0.0015","90","","123.551","0.009","90","","2094.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 Sb2 Se7 -","- C4 H16 In2 N2 Sb2 Se7 -","- C16 H64 In8 N8 Sb8 Se28 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0393","0.0253","","","0.0407","0.0415","","","","","","1.011","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207067","8.3589","0.0009","10.6257","0.0012","11.7957","0.0013","80.019","0.01","72.499","0.01","73.133","0.01","951.94","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2- benzothiazine-3-carboxamide 1,1-dioxide adipic acid","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3- carboxamide 1,1-dioxide adipic acid","","- C17 H18 N3 O6 S2 -","- C17 H18 N3 O6 S2 -","- C34 H36 N6 O12 S4 -","2","1","","Tumanov, Nikolay A.; Myz, Svetlana A.; Shakhtshneider, Tatyana P.; Boldyreva, Elena V.","Are meloxicam dimers really the structure-forming units in the ‘meloxicam–carboxylic acid’ co-crystals family? Relation between crystal structures and dissolution behaviour","CrystEngComm","2012","14","1","305","","10.1039/c1ce05902e","","","0.71073","MoKα","","0.0966","0.044","","","0.0746","0.0846","","","","","","0.855","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207068","8.5979","0.0006","10.4551","0.0006","11.7515","0.0007","91.355","0.005","107.856","0.006","109.444","0.006","938.79","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2- benzothiazine-3-carboxamide 1,1-dioxide terephtalic acid","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3- carboxamide 1,1-dioxide terephtalic acid","","- C18 H16 N3 O6 S2 -","- C18 H16 N3 O6 S2 -","- C36 H32 N6 O12 S4 -","2","1","","Tumanov, Nikolay A.; Myz, Svetlana A.; Shakhtshneider, Tatyana P.; Boldyreva, Elena V.","Are meloxicam dimers really the structure-forming units in the ‘meloxicam–carboxylic acid’ co-crystals family? Relation between crystal structures and dissolution behaviour","CrystEngComm","2012","14","1","305","","10.1039/c1ce05902e","","","0.71073","MoKα","","0.0896","0.0432","","","0.0855","0.0954","","","","","","0.876","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207069","11.31","0.002","17.162","0.003","17.335","0.003","88.01","0.01","82.742","0.01","70.891","0.01","3153.8","1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","MS 9-37 1,3,5-tri(C(CN)=NOH)benzene, 1,4-di(4-pyridyl)ethane","MS 9-37 1,3,5-tri(C(CN)=NOH)benzene, 1,4-di(4-pyridyl)ethane","","- C64.5 H54.75 N20.25 O6 -","- C64.5 H54.75 N20.25 O6 -","- C129 H109.5 N40.5 O12 -","2","1","","Aakeröy, Christer B.; Smith, Michelle M.; Desper, John","α,α′,α′′-Tris(hydroxyimino)-1,3,5-benzenetriacetonitrile: A three-fold symmetric, versatile and practical supramolecular building block","CrystEngComm","2012","14","1","71","","10.1039/c1ce05919j","","","0.71073","MoKα","","0.1118","0.0795","","","0.2227","0.2419","","","","","","1.404","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207070","9.8702","0.0015","13.7735","0.0019","8.146","0.0012","90","","123.368","0.005","90","","924.9","0.2","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from E:/powder/org3_fox/gsas/P21a.cif","","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","","Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.","Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions","CrystEngComm","2012","14","3","837","","10.1039/c1ce05920c","powder diffraction","x-ray","1.54056","CuKa1","","","","","","","","0.0978","","3.11","","","","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207071","12.207","0.006","16.487","0.008","7.495","0.004","90","","102.952","0.005","90","","1470","1.3","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from D:/swastik/orpow/ORG1/Newdata/ORG1INI_1.xtl","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.","Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions","CrystEngComm","2012","14","3","837","","10.1039/c1ce05920c","powder diffraction","x-ray","1.54056","CuKa1","","","","","","","","0.12078","","2.58","","","","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207072","8.0139","0.0005","7.26162","0.00028","23.954","0.0018","90","","95.738","0.005","90","","1386.99","0.15","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from E:/CRYSTAL/Powder/TASKS/swastik_organic_final/org4/gsas/full_","","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","","Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.","Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions","CrystEngComm","2012","14","3","837","","10.1039/c1ce05920c","powder diffraction","x-ray","1.54056","CuKa1","","","","","","","","0.12078","","1.83","","","","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207073","8.7691","0.0012","15.978","0.002","19.948","0.003","90","","96.217","0.002","90","","2778.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N2 O8 -","- C30 H24 Cu2 N2 O8 -","- C120 H96 Cu8 N8 O32 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0681","0.0391","","","0.088","0.101","","","","","","1.017","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207074","9.2137","0.0014","28.298","0.003","20.62","0.002","90","","90","","90","","5376.2","1.1","296","2","296","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C28 H25 Co N3 O5 -","- C28 H17 Co N3 O5 -","- C224 H136 Co8 N24 O40 -","8","0.5","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.07","0.0621","","","0.1793","0.1842","","","","","","1.03","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207075","9.94","0.005","9.87","0.005","26.176","0.014","90","","90","","90","","2568","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N3 O4 Zn -","- C12 H11 N3 O4 Zn -","- C96 H88 N24 O32 Zn8 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0908","0.0779","","","0.1889","0.1971","","","","","","1.157","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207076","17.156","0.002","11.1833","0.0014","21.237","0.003","90","","111.829","0.001","90","","3782.4","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cd N2 O4.5 -","- C20 H17 Cd N2 O4.5 -","- C160 H136 Cd8 N16 O36 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0401","0.0268","","","0.061","0.0676","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207077","19.2973","0.0012","15.0215","0.0009","19.6662","0.0012","90","","92.575","0.001","90","","5695","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Cd3 N4 O14 -","- C56 H56 Cd3 N4 O14 -","- C224 H224 Cd12 N16 O56 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.049","0.0338","","","0.0826","0.0885","","","","","","1.056","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207078","7.664","0.002","7.924","0.002","19.461","0.005","85.113","0.003","88.303","0.004","88.893","0.004","1176.9","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 O12 Zn -","- C24 H20 O12 Zn -","- C48 H40 O24 Zn2 -","2","1","","Qu, Ling-Ling; Zhu, You-Long; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid","CrystEngComm","2012","14","3","824","","10.1039/c1ce05931a","","","0.71073","MoKα","","0.0703","0.0526","","","0.1201","0.1242","","","","","","1.077","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207079","8.718","0.003","10.699","0.004","21.624","0.008","93.194","0.005","100.816","0.005","112.086","0.005","1818","1.1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H64 Co2 O37 -","- C72 H64 Co2 O37 -","- C72 H64 Co2 O37 -","1","0.5","","Qu, Ling-Ling; Zhu, You-Long; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid","CrystEngComm","2012","14","3","824","","10.1039/c1ce05931a","","","0.71073","MoKα","","0.0841","0.0609","","","0.1343","0.1402","","","","","","1.047","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207080","9.862","0.006","10.381","0.006","18.348","0.011","100.222","0.008","104.613","0.007","91.281","0.008","1784.4","1.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H28 Cd3 O20 -","- C48 H28 Cd3 O20 -","- C48 H28 Cd3 O20 -","1","0.5","","Qu, Ling-Ling; Zhu, You-Long; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid","CrystEngComm","2012","14","3","824","","10.1039/c1ce05931a","","","0.71073","MoKα","","0.0809","0.0502","","","0.1124","0.1218","","","","","","1.032","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207081","9.845","0.002","23.329","0.005","22.778","0.005","90","","101.54","0.03","90","","5126","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Mn3 N4 O12 -","- C56 H52 Mn3 N4 O12 -","- C224 H208 Mn12 N16 O48 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.089","0.0467","","","0.1121","0.1645","","","","","","1.099","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207082","28.7774","0.0018","9.6971","0.0006","18.9936","0.0012","90","","125.855","0.001","90","","4295.9","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Mn N2 O5 -","- C24 H22 Mn N2 O5 -","- C192 H176 Mn8 N16 O40 -","8","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0862","0.0642","","","0.1376","0.1493","","","","","","1.027","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207083","11.5778","0.0007","12.033","0.0007","15.859","0.0009","90.307","0.001","94.863","0.001","108.68","0.001","2084.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Mn N4 O8 -","- C48 H42 Mn N4 O8 -","- C96 H84 Mn2 N8 O16 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal–5-tert-butylisophthalates–(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0804","0.0592","","","0.1396","0.1511","","","","","","1.026","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207084","14.406","0.0008","18.0665","0.001","20.624","0.0012","90","","90","","90","","5367.7","0.5","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C60 H57 Fe N6 O11.5 -","- C60 H57 Fe N6 O11.5 -","- C240 H228 Fe4 N24 O46 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0669","0.0603","","","0.1556","0.1598","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207085","9.2581","0.0006","13.0985","0.0009","18.1773","0.0012","97.65","0.001","97.648","0.001","107.288","0.001","2051","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 Co4 N8 O20 -","- C88 H88 Co4 N8 O20 -","- C88 H88 Co4 N8 O20 -","1","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal–5-tert-butylisophthalates–(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0928","0.0685","","","0.1641","0.1836","","","","","","1.023","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207086","31.7379","0.0008","9.5391","0.0002","28.4999","0.0007","90","","116.186","0.0008","90","","7742.8","0.3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H82 Co4 N6 O21 -","- C78 H82 Co4 N6 O21 -","- C312 H328 Co16 N24 O84 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0453","0.0327","","","0.0789","0.0852","","","","","","1.038","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207087","14.3721","0.0007","12.7909","0.0006","12.599","0.0006","90","","97.234","0.001","90","","2297.66","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Co N2 O5 -","- C24 H22 Co N2 O5 -","- C96 H88 Co4 N8 O20 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0689","0.0516","","","0.1229","0.1309","","","","","","1.06","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207088","32.932","0.007","9.4843","0.0019","27.667","0.006","90","","116.54","0.03","90","","7731","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H75 Co4 N6 O17.5 -","- C84 H75 Co4 N6 O17.5 -","- C336 H300 Co16 N24 O70 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.1328","0.0651","","","0.1645","0.2255","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207089","9.2982","0.0005","13.1243","0.0007","18.0169","0.001","97.222","0.001","97.784","0.001","107.232","0.001","2048.41","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 N8 Ni4 O20 -","- C88 H88 N8 Ni4 O20 -","- C88 H88 N8 Ni4 O20 -","1","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal–5-tert-butylisophthalates–(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0769","0.0599","","","0.146","0.1568","","","","","","1.102","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207090","15.1908","0.0011","10.2298","0.0008","15.6092","0.0012","90","","109.949","0.001","90","","2280.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 Ni O5 -","- C24 H22 N2 Ni O5 -","- C96 H88 N8 Ni4 O20 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.097","0.0637","","","0.1428","0.1583","","","","","","1.015","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207091","14.7048","0.0006","13.1186","0.0005","26.8081","0.0008","90","","131.266","0.001","90","","3887.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cu2 N4 O8 -","- C44 H40 Cu2 N4 O8 -","- C176 H160 Cu8 N16 O32 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0821","0.0701","","","0.1598","0.1675","","","","","","1.107","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207092","15.0898","0.001","12.3402","0.0008","12.2249","0.0008","90","","107.505","0.001","90","","2171","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cu N2 O5 -","- C24 H22 Cu N2 O5 -","- C96 H88 Cu4 N8 O20 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0692","0.0533","","","0.1207","0.128","","","","","","1.03","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207093","10.036","0.002","12.322","0.003","25.767","0.005","90","","93.06","0.03","90","","3181.9","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Cu N2 O8 -","- C36 H34 Cu N2 O8 -","- C144 H136 Cu4 N8 O32 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0542","0.0379","","","0.1168","0.1574","","","","","","1.093","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207094","10.988","0.002","14.253","0.003","11.358","0.002","90","","108.93","0.03","90","","1682.6","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 Cu N2 O8 -","- C36 H34 Cu N2 O8 -","- C72 H68 Cu2 N4 O16 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0593","0.043","","","0.0919","0.1102","","","","","","1.006","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207095","9.3469","0.0005","13.1507","0.0007","18.4605","0.0009","98.535","0.001","97.856","0.001","107.013","0.001","2106.52","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 N8 O20 Zn4 -","- C88 H88 N8 O20 Zn4 -","- C88 H88 N8 O20 Zn4 -","1","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal–5-tert-butylisophthalates–(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0876","0.0613","","","0.1518","0.1693","","","","","","1.002","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207096","9.0401","0.0004","10.1153","0.0005","13.3557","0.0005","105.957","0.0015","93.6439","0.001","95.9421","0.0015","1162.5","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N2 O6 Zn -","- C24 H24 N2 O6 Zn -","- C48 H48 N4 O12 Zn2 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0666","0.0394","","","0.1016","0.1432","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207097","10.991","0.002","14.254","0.003","11.361","0.002","90","","108.93","0.03","90","","1683.6","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 O8 Zn -","- C36 H34 N2 O8 Zn -","- C72 H68 N4 O16 Zn2 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0632","0.0463","","","0.1043","0.1225","","","","","","1.013","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207098","22.638","0.005","9.995","0.002","19.913","0.004","90","","96.34","0.03","90","","4478.1","1.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 N4 O11 Zn2 -","- C48 H46 N4 O11 Zn2 -","- C192 H184 N16 O44 Zn8 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.1138","0.0719","","","0.1746","0.2172","","","","","","1.15","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207099","15.8078","0.0004","15.8078","0.0004","9.2047","0.0003","90","","90","","120","","1991.97","0.1","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- C13.5 H21 O3 -","- C13.5 H22.5 O3 -","- C81 H135 O18 -","6","0.333333","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71069","MoKα","","0.0385","0.0379","","","0.0967","0.0973","","","","","","1.137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207100","13.076","0.006","6.162","0.003","23.616","0.012","90","","102.183","0.009","90","","1860","1.6","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71073","MoKα","","0.1076","0.0752","","","0.1661","0.1801","","","","","","1.108","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207101","6.9496","0.0007","17.9193","0.0019","22.411","0.002","90","","90.75","0.002","90","","2790.6","0.5","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 O9 -","- C27 H42 O9 -","- C108 H168 O36 -","4","1","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71073","MoKα","","0.142","0.1097","","","0.2311","0.2485","","","","","","1.179","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207102","13.422","0.003","9.1054","0.0016","16.551","0.006","90","","119.1","0.02","90","","1767.4","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 S3 -","- C18 H20 O3 S3 -","- C72 H80 O12 S12 -","4","1","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71073","MoKα","","0.0374","0.033","","","0.0815","0.0832","","","","","","1.107","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207103","10.5423","0.0017","10.5423","0.0017","20.448","0.004","90","","90","","120","","1968.1","0.6","298","2","298","2","","","","","","","","5","P 65","P 65","170","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C78 H66 Cd6 N6 O36 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.026","0.0242","","","0.0507","0.0516","","","","","","1.056","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207104","10.5544","0.0002","10.5544","0.0002","20.4446","0.0006","90","","90","","120","","1972.32","0.08","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C78 H66 Cd6 N6 O36 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.0207","0.0177","","","0.0337","0.0346","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207105","10.2531","0.0002","10.2531","0.0002","20.2456","0.0006","90","","90","","120","","1843.2","0.07","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C78 H66 N6 O36 Zn6 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","1.54178","CuKα","","0.024","0.0235","","","0.0595","0.0597","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207106","10.2723","0.0004","10.2723","0.0004","20.4692","0.0009","90","","90","","120","","1870.54","0.13","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C78 H66 N6 O36 Zn6 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.0323","0.0262","","","0.0539","0.0635","","","","","","1.123","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207107","13.359","0.003","11.451","0.003","9.571","0.002","90","","117.517","0.004","90","","1298.5","0.5","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C64 H44 N4 O4 S4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0362","0.0346","","","0.0823","0.0835","","","","","","1.134","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207108","4.738","0.002","9.523","0.005","14.954","0.007","91.602","0.009","96.669","0.009","94.446","0.009","667.7","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0797","0.0571","","","0.123","0.1334","","","","","","1.11","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207109","3.9434","0.0011","21.648","0.006","14.748","0.004","90","","96.449","0.005","90","","1251","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 S -","- C16 H10 N2 S -","- C64 H40 N8 S4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0724","0.0615","","","0.1191","0.1233","","","","","","1.185","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207110","3.989","0.002","21.214","0.011","11.076","0.006","90","","97.855","0.009","90","","928.5","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C44 H32 N8 O4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.1519","0.1078","","","0.2525","0.2789","","","","","","1.071","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207111","7.353","0.004","13.472","0.008","9.327","0.006","90","","108.714","0.01","90","","875.1","0.9","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N5 -","- C10 H5 N5 -","- C40 H20 N20 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.124","0.0763","","","0.1505","0.1688","","","","","","1.117","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207112","16.708","0.002","15.732","0.002","14.436","0.001","90","","107.79","0.01","90","","3613.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2-(4,6-bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-1-yl) ethyl)phthalazin-1(2H)-one","","- C17 H16 N6 O S2 -","- C17 H16 N6 O S2 -","- C136 H128 N48 O8 S16 -","8","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.1054","0.0465","","","0.1068","0.1355","","","","","","1.021","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207113","9.161","0.001","14.063","0.001","13.109","0.001","90","","102.12","0.01","90","","1651.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2-(4-chloro-6-(methylthio)-1H-pyrazolo [3,4-d]pyrimidin-1-yl)ethyl)phthalazin-1(2H)-one","","- C16 H13 Cl N6 O S -","- C16 H13 Cl N6 O S -","- C64 H52 Cl4 N24 O4 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0782","0.0461","","","0.1075","0.1225","","","","","","1.028","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207114","9.249","0.001","17.58","0.002","11.55","0.002","90","","105.11","0.01","90","","1813.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","2-(2-(4-methoxy-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) phthalazin-1(2H)-one","","- C17 H16 N6 O4 S -","- C17 H16 N6 O4 S -","- C68 H64 N24 O16 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.1033","0.0486","","","0.1113","0.1354","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207115","18.2274","0.0005","15.2903","0.0004","13.9319","0.0005","90","","108.746","0.003","90","","3676.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","none","3-(2-(4-methoxy-6-(methylsulfonyl)- 1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) quinazolin-4(3H)-one","","- C17 H16 N6 O4 S -","- C17 H16 N6 O4 S -","- C136 H128 N48 O32 S8 -","8","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0663","0.0403","","","0.1075","0.1144","","","","","","1.005","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207116","13.6729","0.0008","9.0043","0.0006","13.8349","0.0008","90","","90.388","0.005","90","","1703.24","0.18","294","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","none","2-(2-(4-chloro-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) phthalazin-1(2H)-one","","- C16 H13 Cl N6 O3 S -","- C16 H13 Cl N6 O3 S -","- C64 H52 Cl4 N24 O12 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0319","0.0315","","","0.0812","0.0816","","","","","","1.076","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207117","8.137","0.0016","14.468","0.003","10.377","0.002","90","","90","","90","","1221.6","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H7 Cl2 N O5 Pb -","- C9 H7 Cl2 N O5 Pb -","- C36 H28 Cl8 N4 O20 Pb4 -","4","0.5","","Liu, Yi; Wei Tan, Melvin Jun; Wei, Fengxia; Tian, Yufeng; Wu, Tom; Kloc, Christian; Huo, Fengwei; Yan, Qingyu; Hng, Huey Hoon; Ma, Jan; Zhang, Qichun","In situ formation of new organic ligands to construct two novel self-charge-transfer Pb(ii)-based frameworks","CrystEngComm","2012","14","1","75","","10.1039/c1ce06006f","","","0.71073","MoKα","","0.0467","0.0278","","","0.0657","0.073","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207118","13.55","0.003","8.96","0.0018","13.82","0.003","90","","99.16","0.03","90","","1656.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O5 Pb S -","- C16 H12 N2 O5 Pb S -","- C64 H48 N8 O20 Pb4 S4 -","4","1","","Liu, Yi; Wei Tan, Melvin Jun; Wei, Fengxia; Tian, Yufeng; Wu, Tom; Kloc, Christian; Huo, Fengwei; Yan, Qingyu; Hng, Huey Hoon; Ma, Jan; Zhang, Qichun","In situ formation of new organic ligands to construct two novel self-charge-transfer Pb(ii)-based frameworks","CrystEngComm","2012","14","1","75","","10.1039/c1ce06006f","","","0.71073","MoKα","","0.0506","0.0323","","","0.0873","0.129","","","","","","1.04","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207119","7.9092","0.0005","11.2366","0.0006","19.2416","0.001","90","","95.413","0.006","90","","1702.42","0.17","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cu N2 O4 S2 -","- C18 H12 Cu N2 O4 S2 -","- C72 H48 Cu4 N8 O16 S8 -","4","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0547","0.0303","","","0.0532","0.0553","","","","","","0.994","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207120","15.308","0.003","16.129","0.002","7.999","0.002","90","","110.94","0.03","90","","1844.5","0.7","294","2","294","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H14 Cu N2 O5 S2 -","- C16 H14 Cu N2 O5 S2 -","- C64 H56 Cu4 N8 O20 S8 -","4","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0845","0.0585","","","0.1231","0.1292","","","","","","1.023","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207121","7.7845","0.0005","12.2006","0.0006","12.2707","0.0006","109.26","0.004","94.393","0.005","99.606","0.004","1073.86","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cu2 N O10 S4 -","- C15 H18 Cu2 N O10 S4 -","- C30 H36 Cu4 N2 O20 S8 -","2","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0532","0.0376","","","0.1112","0.1153","","","","","","0.996","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207122","13.9737","0.0007","13.9846","0.0006","16.1404","0.0008","112.092","0.004","98.552","0.004","104.588","0.004","2722.1","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H40 Cl2 Mn2 N8 O14 S2 -","- C54 H40 Cl2 Mn2 N8 O14 S2 -","- C108 H80 Cl4 Mn4 N16 O28 S4 -","2","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.1294","0.0511","","","0.0896","0.0966","","","","","","0.981","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207123","14.4203","0.0008","14.8169","0.0007","15.5464","0.0007","89.536","0.004","62.541","0.005","65.838","0.005","2621.5","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H40 Cl2 Mn2 N9 O12 S2 -","- C51 H40 Cl2 Mn2 N9 O12 S2 -","- C102 H80 Cl4 Mn4 N18 O24 S4 -","2","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0681","0.0448","","","0.1066","0.1198","","","","","","1.011","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207124","12.056","0.002","15.736","0.003","17.49","0.004","73.04","0.03","74.49","0.03","78.36","0.03","3030.5","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H49 Ce F18 N4 O12 -","- C55 H49 Ce F18 N4 O12 -","- C110 H98 Ce2 F36 N8 O24 -","2","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.0381","0.0325","","","0.0702","0.0726","","","","","","1.06","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207125","11.259","0.002","17.207","0.003","23.884","0.006","90","","117.99","0.02","90","","4085.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F18 N2 O9 Pr -","- C30 H24 F18 N2 O9 Pr -","- C120 H96 F72 N8 O36 Pr4 -","4","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.1","0.0666","","","0.1244","0.1369","","","","","","1.128","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207126","12.421","0.003","15.856","0.003","18.21","0.004","69.13","0.03","73.1","0.03","89.59","0.03","3187.7","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H49 F18 N4 O12 Pr -","- C55 H49 F18 N4 O12 Pr -","- C110 H98 F36 N8 O24 Pr2 -","2","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.1007","0.0796","","","0.2258","0.24","","","","","","1.102","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207127","10.953","0.005","17.082","0.008","23.293","0.009","90","","116.581","0.017","90","","3897","3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ce F18 N2 O9 -","- C30 H24 Ce F18 N2 O9 -","- C120 H96 Ce4 F72 N8 O36 -","4","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.0366","0.0344","","","0.0815","0.083","","","","","","1.045","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207128","8.3732","0.0004","19.281","0.0009","15.4445","0.0007","90","","90.89","0.002","90","","2493.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O7 Zn -","- C24 H20 N4 O7 Zn -","- C96 H80 N16 O28 Zn4 -","4","1","","Cheng, Jian-Jr; Chang, Ya-Ting; Wu, Chia-Jun; Hsu, Yi-Fen; Lin, Chia-Her; Proserpio, Davide M.; Chen, Jhy-Der","Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands","CrystEngComm","2012","14","2","537","","10.1039/c1ce06019h","","","0.71073","MoKα","","0.0886","0.041","","","0.095","0.1035","","","","","","1.006","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207129","9.0807","0.0015","11.36","0.0016","13.2607","0.0019","92.714","0.013","106.281","0.016","107.242","0.014","1241.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd N4 O8 -","- C24 H26 Cd N4 O8 -","- C48 H52 Cd2 N8 O16 -","2","1","","Cheng, Jian-Jr; Chang, Ya-Ting; Wu, Chia-Jun; Hsu, Yi-Fen; Lin, Chia-Her; Proserpio, Davide M.; Chen, Jhy-Der","Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands","CrystEngComm","2012","14","2","537","","10.1039/c1ce06019h","","","0.71073","MoKα","","0.0258","0.0236","","","0.0599","0.0612","","","","","","1.071","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207130","9.2535","0.0002","10.2529","0.0002","11.8897","0.0003","91.372","0.001","111.487","0.001","102.427","0.001","1018.47","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 N4 O12 Zn2 -","- C40 H46 N4 O12 Zn2 -","- C40 H46 N4 O12 Zn2 -","1","0.5","","Cheng, Jian-Jr; Chang, Ya-Ting; Wu, Chia-Jun; Hsu, Yi-Fen; Lin, Chia-Her; Proserpio, Davide M.; Chen, Jhy-Der","Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands","CrystEngComm","2012","14","2","537","","10.1039/c1ce06019h","","","0.71073","MoKα","","0.0492","0.0399","","","0.1245","0.1287","","","","","","1.085","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207131","27.298","0.004","10.7049","0.0012","15.889","0.003","90","","122.48","0.01","90","","3916.8","1.1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C164 H170 Co4 N32 O5 S8 -","- C164 H168 Co4 N32 O5 S8 -","- C164 H168 Co4 N32 O5 S8 -","1","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.046","0.0455","","","0.1181","0.1185","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207132","26.316","0.006","14.8918","0.0019","8.0849","0.0017","90","","105.687","0.017","90","","3050.4","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 N3 O8 Zn2 -","- C27 H31 N3 O8 Zn2 -","- C108 H124 N12 O32 Zn8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.0308","0.0293","","","0.0789","0.0799","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207133","11.5721","0.0009","18.1584","0.001","13.846","0.001","90","","110.258","0.006","90","","2729.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cl2 I2 N3 Zn -","- C25 H23 Cl2 I2 N3 Zn -","- C100 H92 Cl8 I8 N12 Zn4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.0375","0.0373","","","0.0996","0.0996","","","","","","1.268","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207134","9.0269","0.0009","10.144","0.001","10.6092","0.0011","62.324","0.006","65.248","0.006","70.093","0.006","768.3","0.14","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C38 H38 N6 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.0723","0.0558","","0.1785","0.0783","0.0621","","","","","","1.1032","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207135","7.2109","0.0008","7.3813","0.0009","7.3993","0.0009","61.433","0.002","66.1","0.002","71.148","0.002","312.1","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 N4 O8 S2 Zn -","- C6 H10 N4 O8 S2 Zn -","- C6 H10 N4 O8 S2 Zn -","1","0.5","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0253","0.0251","","","0.069","0.0691","","","","","","1.153","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207136","8.6676","0.0014","10.1917","0.0016","7.5121","0.0012","90","","95.644","0.003","90","","660.38","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cd N4 O8 S2 -","- C6 H10 Cd N4 O8 S2 -","- C12 H20 Cd2 N8 O16 S4 -","2","0.5","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0209","0.0195","","","0.0508","0.0517","","","","","","1.072","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207137","7.5543","0.0015","5.4219","0.001","14.26","0.003","90","","90.59","0.004","90","","584","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H3 Ag N2 O3 S -","- C3 H3 Ag N2 O3 S -","- C12 H12 Ag4 N8 O12 S4 -","4","1","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0408","0.039","","","0.1008","0.1044","","","","","","1.053","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207138","10.3639","0.0015","7.1327","0.001","10.1111","0.0015","90","","115.701","0.002","90","","673.49","0.17","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N2 Na O4 S -","- C3 H5 N2 Na O4 S -","- C12 H20 N8 Na4 O16 S4 -","4","1","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0283","0.0258","","","0.0749","0.0766","","","","","","1.113","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207139","8.9194","0.0017","7.2408","0.0014","11.226","0.002","90","","101.787","0.003","90","","709.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N3 O3 S -","- C3 H7 N3 O3 S -","- C12 H28 N12 O12 S4 -","4","1","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic–organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0302","0.0293","","","0.0802","0.081","","","","","","1.098","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207140","19.807","0.0003","27.714","0.0005","27.847","0.0005","90","","90","","90","","15286.1","0.5","200","2","200","2","","","","","","","","5","P n m n","-P 2n 2n","58","","","","- C33 H35 N3 O10.5 Zn2 -","- C24 H12 O7.5 Zn2 -","- C192 H96 O60 Zn16 -","8","1","","Burrows, Andrew D.; Fisher, Laura C.; Hodgson, David; Mahon, Mary F.; Cessford, Naomi F.; Düren, Tina; Richardson, Christopher; Rigby, Sean P.","The synthesis, structures and reactions of zinc and cobalt metal‒organic frameworks incorporating an alkyne-based dicarboxylate linker","CrystEngComm","2012","14","1","188","","10.1039/c1ce06044a","","","0.71073","MoKα","","0.1209","0.0602","","","0.1523","0.1769","","","","","","0.985","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207141","15.331","0.0002","17.957","0.0003","16.533","0.0003","90","","117.704","0.001","90","","4029.73","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33.9 H35.1 Co1.5 N3.3 O9.3 -","- C33.9 H35.1 Co1.5 N3.3 O9.3 -","- C135.6 H140.4 Co6 N13.2 O37.2 -","4","1","","Burrows, Andrew D.; Fisher, Laura C.; Hodgson, David; Mahon, Mary F.; Cessford, Naomi F.; Düren, Tina; Richardson, Christopher; Rigby, Sean P.","The synthesis, structures and reactions of zinc and cobalt metal‒organic frameworks incorporating an alkyne-based dicarboxylate linker","CrystEngComm","2012","14","1","188","","10.1039/c1ce06044a","","","0.71073","MoKα","","0.1507","0.0775","","","0.2087","0.2547","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207142","4.7998","0.0019","23.277","0.018","30.22","0.02","90","","90","","90","","3376","4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C11 H23 Cd N3 O14 -","- C11 H9 Cd N2 O6 -","- C88 H72 Cd8 N16 O48 -","8","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.1411","0.0882","","","0.2066","0.2357","","","","","","1.067","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207143","5.0975","0.0003","11.4735","0.0006","29.143","0.002","90","","90","","90","","1704.46","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H27 N2 O13 Zn -","- C11 H17 N2 O8 Zn -","- C44 H68 N8 O32 Zn4 -","4","0.5","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.0891","0.0766","","","0.2013","0.2084","","","","","","1.015","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207144","7.0378","0.001","13.4247","0.0019","13.0933","0.0018","90","","90.475","0.013","90","","1237","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cd Cl N2 O4 -","- C11 H9 Cd Cl N2 O4 -","- C44 H36 Cd4 Cl4 N8 O16 -","4","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.1006","0.0858","","","0.229","0.2369","","","","","","1.15","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207145","7.0505","0.0009","7.7448","0.0009","8.4534","0.0009","107.543","0.01","95.451","0.01","98.716","0.01","430.17","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","1","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.0525","0.0434","","","0.0959","0.1028","","","","","","0.856","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207146","7.8622","0.0005","7.8443","0.0004","14.2865","0.0009","90","","102.523","0.006","90","","860.14","0.09","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H12 Cd N2 O8 -","- C16 H12 Cd N2 O8 -","- C32 H24 Cd2 N4 O16 -","2","0.5","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.051","0.0452","","","0.1035","0.1065","","","","","","1.126","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207147","10.277","0.003","15.593","0.005","9.715","0.003","90","","114.844","0.006","90","","1412.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H10 F8 I4 -","- C28 H10 F8 I4 -","- C56 H20 F16 I8 -","2","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0545","0.0459","","","0.1029","0.1074","","","","","","1.087","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207148","8.3885","0.0002","18.3017","0.0004","13.1838","0.0004","90","","105.268","0.001","90","","1952.59","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.056","0.0373","","","0.0889","0.0991","","","","","","1.016","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207149","9.2348","0.0002","17.6801","0.0004","7.3278","0.0002","90","","101.34","0.002","90","","1173.07","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(3-Aminopyridinium) 2,5-dihydrogenpyromellitate tetrahydrate","bis(3-Aminopyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate tetrahydrate","","- C20 H26 N4 O12 -","- C20 H26 N4 O12 -","- C40 H52 N8 O24 -","2","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0955","0.0486","","","0.1166","0.1288","","","","","","0.895","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207150","6.6314","0.0002","9.5284","0.0003","9.8203","0.0003","66.511","0.003","87.534","0.002","83.336","0.002","565.25","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","bis(4-Carboxyanilinium) 2,5-dihydrogenpyromellitate","bis(4-Carboxyphenylammonium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C24 H20 N2 O12 -","- C24 H20 N2 O12 -","- C24 H20 N2 O12 -","1","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0502","0.0444","","","0.1305","0.1344","","","","","","1.069","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207151","7.0774","0.0002","7.5332","0.0003","19.418","0.0006","90","","94.931","0.003","90","","1031.45","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Nicotinium) 2,5-dihydrogenpyromellitate","bis(3-Carboxypyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C22 H16 N2 O12 -","- C22 H16 N2 O12 -","- C44 H32 N4 O24 -","2","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0552","0.0346","","","0.0877","0.0926","","","","","","0.969","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207152","7.2785","0.0002","7.3763","0.0002","10.0274","0.0002","72.392","0.002","87.792","0.002","76.164","0.002","497.91","0.02","298","2","298","2","","","","","","","","4","P -1","-P 1","2","bis(Nicotinium) 2,5-dihydrogenpyromellitate","bis(3-Carboxypyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C22 H16 N2 O12 -","- C22 H16 N2 O12 -","- C22 H16 N2 O12 -","1","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0421","0.036","","","0.1037","0.1067","","","","","","1.063","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207153","23.8597","0.0008","7.267","0.0002","19.5048","0.0008","90","","117.713","0.001","90","","2993.96","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Ag2 N14 O5 -","- C28 H26 Ag2 N14 O5 -","- C112 H104 Ag8 N56 O20 -","4","0.5","","Sun, Di; Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, crystal structures and photoluminescent properties of two novel Ag(i) coordination polymers with benzoguanamine and pyrazine-carboxylate ligands: From 1D helix to 1D →2D interdigitation","CrystEngComm","2012","14","2","480","","10.1039/c1ce06089a","","","0.71073","MoKα","","0.0253","0.0223","","","0.0615","0.079","","","","","","1.195","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207154","49.174","0.008","8.9007","0.0015","12.382","0.002","90","","102.613","0.003","90","","5288.6","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Ag2 N12 O5 -","- C24 H22 Ag2 N12 O5 -","- C192 H176 Ag16 N96 O40 -","8","1","","Sun, Di; Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, crystal structures and photoluminescent properties of two novel Ag(i) coordination polymers with benzoguanamine and pyrazine-carboxylate ligands: From 1D helix to 1D →2D interdigitation","CrystEngComm","2012","14","2","480","","10.1039/c1ce06089a","","","0.71073","MoKα","","0.0684","0.0666","","","0.1718","0.1732","","","","","","1.087","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207155","12.472","0.002","12.472","0.002","19.703","0.003","90","","90","","120","","2654.2","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.83 Eu N2 O8.41 -","- C6 H7.828 Eu N2 O8.414 -","- C54 H70.452 Eu9 N18 O75.726 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0137","0.0135","","","0.0329","0.033","","","","","","1.04","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207156","12.439","0.0009","12.439","0.0009","19.67","0.0015","90","","90","","120","","2635.8","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.04 Gd N2 O8.52 -","- C6 H8.036 Gd N2 O8.51867 -","- C54 H72.324 Gd9 N18 O76.668 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0156","0.0152","","","0.0338","0.0339","","","","","","1.017","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207157","12.404","0.001","12.404","0.001","19.6075","0.0016","90","","90","","120","","2612.6","0.4","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.06 N2 O8.53 Tb -","- C6 H8.064 N2 O8.532 Tb -","- C54 H72.576 N18 O76.788 Tb9 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0123","0.0122","","","0.0303","0.0303","","","","","","1.068","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207158","12.359","0.002","12.359","0.002","19.602","0.003","90","","90","","120","","2593","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8 Dy N2 O8.5 -","- C6 H8.008 Dy N2 O8.504 -","- C54 H72.072 Dy9 N18 O76.536 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0126","0.0125","","","0.0291","0.0291","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207159","12.2943","0.0008","12.2943","0.0008","19.556","0.003","90","","90","","120","","2559.9","0.5","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.57 Er N2 O8.79 -","- C6 H8.572 Er N2 O8.78667 -","- C54 H77.148 Er9 N18 O79.08 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0167","0.0166","","","0.0398","0.0398","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207160","12.2284","0.0016","12.2284","0.0016","19.605","0.005","90","","90","","120","","2538.8","0.8","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.93 N2 O8.46 Yb -","- C6 H7.928 N2 O8.46 Yb -","- C54 H71.352 N18 O76.14 Yb9 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0195","0.0194","","","0.0454","0.0454","","","","","","1.084","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207161","12.4387","0.0009","12.4387","0.0009","19.6706","0.0015","90","","90","","120","","2635.7","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.94 Gd N2 O8.47 -","- C6 H7.936 Gd N2 O8.46667 -","- C54 H71.424 Gd9 N18 O76.2 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0247","0.0244","","","0.0615","0.0616","","","","","","1.086","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207162","22.42158","0.00019","22.42158","0.00019","22.42158","0.00019","90","","90","","90","","11271.9","0.17","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C92 H127 N11 O24 Si2 Zn4 -","- C48.05 H28.032 O13.012 Si2 Zn4 -","- C192.2 H112.128 O52.048 Si8 Zn16 -","4","0.166667","","Davies, Robert P.; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","An organosilicon hexacarboxylic acid and its use in the construction of a novel metal organic framework isoreticular to MOF-5","CrystEngComm","2012","14","3","758","","10.1039/c1ce06091k","","","1.54184","CuKα","","0.118","0.1007","","","0.3406","0.3593","","","","","","1.382","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207163","11.511","0.002","12.436","0.003","12.095","0.002","90","","102.05","0.03","90","","1693.3","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfamerazine-1,4-dioxane (1:1)","Sulfamerazine-1,4-dioxane (1:1)","","- C15 H20 N4 O4 S -","- C15 H20 N4 O4 S -","- C60 H80 N16 O16 S4 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0494","0.0462","","","0.1192","0.1219","","","","","","1.104","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207164","7.7675","0.0016","8.1233","0.0016","12.631","0.003","91.16","0.03","95.69","0.03","105.23","0.03","764.3","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-1,4-dioxane (1:0.5)","Sulfamerazine-1,4-dioxane (1:0.5)","","- C13 H16 N4 O3 S -","- C13 H16 N4 O3 S -","- C26 H32 N8 O6 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0487","0.0464","","","0.1106","0.1125","","","","","","1.116","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207165","9.774","0.002","12.556","0.003","14.659","0.003","76.58","0.03","77.57","0.03","86.18","0.03","1708.6","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-dimethylformamide(1:1)","Sulfamerazine-dimethylformamide(1:1)","","- C14 H19 N5 O3 S -","- C14 H19 N5 O3 S -","- C56 H76 N20 O12 S4 -","4","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0828","0.0725","","","0.1708","0.1783","","","","","","1.185","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207166","7.6792","0.0015","8.3101","0.0017","15.125","0.003","93.13","0.03","101.81","0.03","104.77","0.03","907.7","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-dimethylacetamide(1:1)","Sulfamerazine-dimethylacetamide(1:1)","","- C15 H21 N5 O3 S -","- C15 H21 N5 O3 S -","- C30 H42 N10 O6 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0675","0.0641","","","0.1661","0.1694","","","","","","1.104","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207167","5.965","0.0012","9.6479","0.0019","14.817","0.003","76.16","0.03","83.05","0.03","89.71","0.03","821.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-cyclopentanone(1:1)","Sulfamerazine-cyclopentanone(1:1)","","- C16 H20 N4 O3 S -","- C16 H20 N4 O3 S -","- C32 H40 N8 O6 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0591","0.0571","","","0.1564","0.1576","","","","","","1.151","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207168","7.8319","0.0016","8.1117","0.0016","15.358","0.003","76.47","0.03","77.04","0.03","73.54","0.03","896.6","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-3-Picoline(1:1)","Sulfamerazine-3-Picoline(1:1)","","- C17 H19 N5 O2 S -","- C17 H19 N5 O2 S -","- C34 H38 N10 O4 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0502","0.0477","","","0.1198","0.1233","","","","","","1.117","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207169","13.0158","0.0009","13.0158","0.0009","10.8532","0.0004","90","","90","","120","","1592.32","0.17","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Mn(DMSO)4(H2O)2][Mn2TCNQ3]","","","- C44 H40 Mn3 N12 O6 S4 -","- C36 H12 Mn2.999 N12 -","- C36 H12 Mn2.999 N12 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.1027","0.0821","","","0.2513","0.2809","","","","","","1.022","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207170","12.9515","0.0004","12.9515","0.0004","10.8818","0.0002","90","","90","","120","","1580.78","0.07","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Cd(DMSO)4(H2O)2][Cd2TCNQ3]","","","- C44 H40 Cd3 N12 O6 S4 -","- C36 H12 Cd2.999 N12 -","- C36 H12 Cd2.999 N12 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.043","0.039","","","0.1149","0.1181","","","","","","1.161","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207171","12.7447","0.0004","12.7447","0.0004","10.7107","0.0003","90","","90","","120","","1506.63","0.08","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Zn(DMSO)4(H2O)2][Zn2TCNQ3]","","","- C44 H40 N12 O6 S4 Zn3 -","- C36 H12 N12 Zn3 -","- C36 H12 N12 Zn3 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.0883","0.0827","","","0.2757","0.2859","","","","","","1.161","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207172","12.8814","0.0003","12.8814","0.0003","22.0591","0.0004","90","","90","","120","","3169.89","0.12","130","2","130","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","[Mn(bipy)3][Mn2TCNQ3].2MeOH","","","- C68 H44 Mn3 N18 O2 -","- C36 H12 Mn3 N12 -","- C72 H24 Mn6 N24 -","2","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.107","0.099","","","0.3149","0.3385","","","","","","1.501","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207173","12.097","0.003","10.088","0.002","26.807","0.006","90","","90","","90","","3271.4","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1,3-benzothiazole-2-yl","","","- C17 H15 Cl N2 O2 S -","- C17 H15 Cl N2 O2 S -","- C136 H120 Cl8 N16 O16 S8 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0538","0.0528","","","0.1024","0.103","","","","","","1.318","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207174","14.1449","0.0013","9.9181","0.0009","25.167","0.002","90","","90","","90","","3530.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","6-methyl-1,3-benzothiazole-2-yl","","","- C18 H17 Cl N2 O2 S -","- C18 H17 Cl N2 O2 S -","- C144 H136 Cl8 N16 O16 S8 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0647","0.0625","","","0.1182","0.1192","","","","","","1.342","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207175","14.9642","0.0018","7.717","0.0009","18.704","0.003","90","","116.669","0.002","90","","1930.1","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-methoxy-1,3-benzothiazole-2-yl","","","- C19 H21 Cl N2 O4 S -","- C19 H21 Cl N2 O4 S -","- C76 H84 Cl4 N8 O16 S4 -","4","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0477","0.0376","","","0.0916","0.1027","","","","","","1.058","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207176","23.731","0.002","13.7198","0.0014","17.4841","0.0018","90","","102.16","0.002","90","","5564.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-ethoxy-1,3-benzothiazole-2-yl","","","- C19 H19 Cl N2 O3 S -","- C19 H19 Cl N2 O3 S -","- C228 H228 Cl12 N24 O36 S12 -","12","3","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0532","0.0408","","","0.0933","0.0999","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207177","7.2962","0.0007","9.8387","0.001","13.9567","0.0014","77.188","0.002","84.71","0.002","76.498","0.002","949.07","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","6-chloro-1,3-benzothiazole-2-yl","","","- C18 H18 Cl2 N2 O3 S -","- C18 H18 Cl2 N2 O3 S -","- C36 H36 Cl4 N4 O6 S2 -","2","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0337","0.0315","","","0.0833","0.0849","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207178","7.395","0.002","7.653","0.002","15.958","0.004","90.156","0.005","96.693","0.004","99.998","0.004","883.1","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","6-nitro-1,3-benzothiazole-2-yl","","","- C17 H14 Cl N3 O4 S -","- C17 H14 Cl N3 O4 S -","- C34 H28 Cl2 N6 O8 S2 -","2","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.06","0.0424","","","0.1163","0.1335","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207179","29.002","0.003","8.6295","0.0009","16.5593","0.0018","90","","113.948","0.002","90","","3787.6","0.7","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","6-methanesulfonyl-1,3-benzothiazole-2-yl","","","- C18 H17 Cl N2 O4 S2 -","- C18 H17 Cl N2 O4 S2 -","- C144 H136 Cl8 N16 O32 S16 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.052","0.0388","","","0.1022","0.1178","","","","","","1.126","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207180","15.8708","0.0006","15.8708","0.0006","24.2726","0.0016","90","","90","","120","","5294.7","0.4","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 K6 N2 O39 Pb6 -","- C80 H59.94 K6 N2 O39 Pb6 -","- C160 H119.88 K12 N4 O78 Pb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0381","0.0366","","","0.1102","0.1115","","","","","","1.053","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207181","16.0334","0.0001","16.0334","0.0001","24.3028","0.001","90","","90","","120","","5410.5","0.2","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 N2 O39 Pb6 Rb6 -","- C80 H59.94 N2 O39 Pb6 Rb6 -","- C160 H119.88 N4 O78 Pb12 Rb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0493","0.0476","","","0.1536","0.1543","","","","","","1.082","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207182","16.231","0.003","16.231","0.003","24.466","0.005","90","","90","","120","","5581.9","1.9","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 Cs6 N2 O39 Pb6 -","- C80 H59.94 Cs6 N2 O38.99 Pb6 -","- C160 H119.88 Cs12 N4 O77.98 Pb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0622","0.0615","","","0.2397","0.2407","","","","","","1.014","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207183","13.5107","0.0016","23.38","0.003","5.8727","0.0007","90","","90","","90","","1855.1","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C28 H24 K2 O16 Pb S2 -","- C28 H20 K2 O16 Pb S2 -","- C56 H40 K4 O32 Pb2 S4 -","2","0.25","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0684","0.0599","","","0.1968","0.2034","","","","","","1.093","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207184","11.3401","0.0005","25.0935","0.001","22.874","0.0011","90","","96.895","0.004","90","","6462","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Cs2 N2 O20 Pb2 S3 -","- C48 H38 Cs2 N2 O20 Pb2 S3 -","- C192 H152 Cs8 N8 O80 Pb8 S12 -","4","1","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0876","0.0769","","","0.2212","0.2345","","","","","","1.024","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207185","6.869","0.002","12.205","0.005","15.661","0.005","88.608","0.009","78.867","0.01","85.617","0.008","1284.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C68 H44 O8 S4 -","2","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.0636","0.0524","","","0.1358","0.1449","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207186","20.585","0.006","5.2382","0.0016","12.441","0.004","90","","90.471","0.004","90","","1341.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C68 H44 O8 S4 -","2","0.5","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.0845","0.0691","","","0.2044","0.2275","","","","","","1.091","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207187","5.5787","0.0012","27.608","0.007","16.771","0.004","90","","90","","90","","2583","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C136 H88 O16 S8 -","4","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.1169","0.0728","","","0.1658","0.1962","","","","","","0.977","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207188","12.774","0.004","16.152","0.005","21.355","0.007","90","","101.427","0.004","90","","4319","2","133","","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 N4 O4 -","- C44 H60 N4 O4 -","- C176 H240 N16 O16 -","4","1","","Tsue, Hirohito; Takahashi, Hiroki; Ishibashi, Koichi; Inoue, Rikako; Shimizu, Shun; Takahashi, Daisuke; Tamura, Rui","Crystallographic analysis of CO2 sorption state in seemingly nonporous molecular crystal of azacalix[4]arene tetramethyl ether exhibiting highly selective CO2 uptake","CrystEngComm","2012","14","3","1021","","10.1039/c1ce06126g","","","0.71075","MoKα","","0.1428","0.0916","","","0.1768","0.2041","","","","","","1.114","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207189","12.836","0.008","16.215","0.009","21.46","0.013","90","","101.817","0.01","90","","4372","5","133","","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44.4 H60 N4 O4.8 -","- C44.4 H60 N4 O4.8 -","- C177.6 H240 N16 O19.2 -","4","1","","Tsue, Hirohito; Takahashi, Hiroki; Ishibashi, Koichi; Inoue, Rikako; Shimizu, Shun; Takahashi, Daisuke; Tamura, Rui","Crystallographic analysis of CO2 sorption state in seemingly nonporous molecular crystal of azacalix[4]arene tetramethyl ether exhibiting highly selective CO2 uptake","CrystEngComm","2012","14","3","1021","","10.1039/c1ce06126g","","","0.71075","MoKα","","0.2393","0.1433","","","0.3704","0.4355","","","","","","1.213","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207190","6.8976","0.0004","36.792","0.002","8.2696","0.0005","90","","106.286","0.003","90","","2014.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H62 Cl4 Cu N4 O2 -","- C36 H62 Cl4 Cu N4 O2 -","- C72 H124 Cl8 Cu2 N8 O4 -","2","0.5","","Su, Chien-Cheng; Lee, Kwang-Ming","Ionic liquid crystal engineering of 3-carbamoyl-1-alkylpyridin-1-ium tetrachlorocuprate(II) and tetrachlorozincate(II) salts","CrystEngComm","2012","14","4","1283","","10.1039/c1ce06160g","","","0.71073","MoKα","","0.0523","0.0353","","","0.0852","0.1287","","","","","","1.096","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207191","6.8484","0.0003","36.7066","0.0014","8.289","0.0003","90","","105.25","0.002","90","","2010.33","0.14","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H62 Cl4 N4 O2 Zn -","- C36 H62 Cl4 N4 O2 Zn -","- C72 H124 Cl8 N8 O4 Zn2 -","2","0.5","","Su, Chien-Cheng; Lee, Kwang-Ming","Ionic liquid crystal engineering of 3-carbamoyl-1-alkylpyridin-1-ium tetrachlorocuprate(II) and tetrachlorozincate(II) salts","CrystEngComm","2012","14","4","1283","","10.1039/c1ce06160g","","","1.54178","CuKα","","0.0286","0.0277","","","0.0738","0.0745","","","","","","1.036","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207192","10.1143","0.0005","20.9362","0.0013","14.6323","0.0007","90","","104.153","0.001","90","","3004.4","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 I N2 S -","- C14 H17 I N2 S -","- C112 H136 I8 N16 S8 -","8","2","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0285","0.0219","","","0.0452","0.0467","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207193","9.621","0.007","15.234","0.011","13.948","0.01","90","","93.849","0.014","90","","2040","3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O5 S2 -","- C20 H24 N2 O5 S2 -","- C80 H96 N8 O20 S8 -","4","2","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0713","0.0637","","","0.1321","0.1368","","","","","","1.091","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207194","7.965","0.003","16.675","0.005","17.439","0.006","90","","100.69","0.005","90","","2276","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 O4 S2 -","- C22 H27 N3 O4 S2 -","- C88 H108 N12 O16 S8 -","4","1","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0657","0.0562","","","0.1501","0.1561","","","","","","1.162","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207195","6.9177","0.0005","7.2342","0.0004","12.4632","0.001","78.221","0.002","89.685","0.002","64.885","0.005","550.53","0.07","200","2","200","2","","","","","","","synthesis as described","4","P -1","-P 1","2","HT18A","","","- C9 H10 Co O9 -","- C9 H10 Co O9 -","- C18 H20 Co2 O18 -","2","1","","Chung, Huey-Ting; Yang, Chen-I; Yang, En-Che; Peng, Chia-Chien; Tsai, Hui-Lien; Liu, Yen-Hsiang","Metamagnetic behavior and moisture-absorption induced reversible network assembly of a cobalt-1,2,4-benzenetricarboxylate supramolecular network","CrystEngComm","2012","14","4","1317","","10.1039/c1ce06182h","","x-ray","0.71073","MoKα","","0.108","0.0896","","","0.2266","0.2399","","","","","","1.158","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207196","16.125","0.003","25.632","0.005","30.125","0.006","90","","95.55","0.03","90","","12393","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C202 H324 Ca4 Cu6 N16 O49 S10 -","- C204 H312 Ca4 Cu6 N16 O49 S10 -","- C408 H624 Ca8 Cu12 N32 O98 S20 -","2","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.1236","0.1131","","","0.359","0.3768","","","","","","1.637","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207197","17.731","0.004","15.981","0.003","28.505","0.006","90","","90","","90","","8077","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H120 Cu2 N6 O14 S2 Sr -","- C76 H120 Cu2 N6 O14 S2 Sr -","- C304 H480 Cu8 N24 O56 S8 Sr4 -","4","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.0579","0.0551","","","0.1576","0.1602","","","","","","1.073","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207198","18.512","0.004","15.92","0.003","27.967","0.006","90","","90","","90","","8242","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H120 Ba Cu2 N6 O14 S2 -","- C76 H120 Ba Cu2 N6 O14 S2 -","- C304 H480 Ba4 Cu8 N24 O56 S8 -","4","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.0933","0.0849","","","0.2494","0.2585","","","","","","1.09","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207199","8.375","0.004","11.257","0.005","15.807","0.006","69.947","0.007","75.476","0.007","84.278","0.007","1355","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N6 O9 -","- C27 H27 N6 O9 -","- C54 H54 N12 O18 -","2","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.0886","0.0637","","","0.1807","0.2101","","","","","","1.028","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207200","14.348","0.012","8.033","0.007","35.93","0.03","90","","90","","90","","4141","6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 N9 O9 -","- C15 H21 N9 O9 -","- C120 H168 N72 O72 -","8","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.1666","0.072","","","0.1182","0.1513","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207201","8.6775","0.0007","15.7719","0.0012","10.9612","0.0008","90","","96.066","0.001","90","","1491.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O9 -","- C12 H15 N3 O9 -","- C48 H60 N12 O36 -","4","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.0466","0.0393","","","0.1062","0.1121","","","","","","1.06","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207202","10.953","0.002","23.056","0.005","19.811","0.004","90","","99.88","0.03","90","","4928.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Díaz-Gallifa, Pau; Labrador, Ana; Ruiz-Pérez, Catalina","Dryness sensitive porous 3d‒4f metal‒organic framework with unusual dynamic behaviour","CrystEngComm","2012","14","3","765","","10.1039/c1ce06210g","","x-ray","0.7383","synchrotron","","0.0557","0.0494","","","0.1544","0.1633","","","","","","1.033","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207203","10.906","0.002","20.212","0.004","19.769","0.004","90","","99.22","0.03","90","","4301.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Díaz-Gallifa, Pau; Labrador, Ana; Ruiz-Pérez, Catalina","Dryness sensitive porous 3d‒4f metal‒organic framework with unusual dynamic behaviour","CrystEngComm","2012","14","3","765","","10.1039/c1ce06210g","","x-ray","0.7513","synchrotron","","0.05","0.0476","","","0.1374","0.1396","","","","","","1.093","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207204","10.92","0.002","20.369","0.004","19.792","0.004","90","","99.59","0.03","90","","4340.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Díaz-Gallifa, Pau; Labrador, Ana; Ruiz-Pérez, Catalina","Dryness sensitive porous 3d‒4f metal‒organic framework with unusual dynamic behaviour","CrystEngComm","2012","14","3","765","","10.1039/c1ce06210g","","x-ray","0.7388","synchrotron","","0.0472","0.0453","","","0.1302","0.1327","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207205","25.745","0.006","9.538","0.002","3.9843","0.001","90","","95.716","0.004","90","","973.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H5 Br2 Cu2 N2 -","- C7 H5 Br2 Cu2 N2 -","- C28 H20 Br8 Cu8 N8 -","4","0.5","","Feng, Sisi; Lv, Haigang; Li, Zhongping; Feng, Guoqin; Lu, Liping; Zhu, Miaoli","The first example of rhombic dodecahedral CuBr clusters in a novel mixed-valence Cu(i,ii)‒benzimidazole complex","CrystEngComm","2012","14","1","98","","10.1039/c1ce06215h","","","0.71073","MoKα","","0.081","0.057","","","0.1604","0.19","","","","","","1.127","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207206","8.031","0.002","8.682","0.002","19.335","0.005","98.961","0.006","93.476","0.011","99.983","0.007","1306.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","poly(tricadmium bis(1,2-bis(imidazol-1'-yl)ethane) (1,4- bis((pyridinium-4-carboxylate)methyl)benzene) (u-Br)tetrabromide bis(N,N-Dimethylformamide))","","","- C21 H25 Br3 Cd1.5 N6 O3 -","- C21 H25 Br3 Cd1.5 N6 O3 -","- C42 H50 Br6 Cd3 N12 O6 -","2","1","","Li, Xiaoju; Guo, Xiaofang; Weng, XiuLan; Lin, Shen","Two novel 2D cadmium(ii) MOFs based on flexible bis(imidazolyl) and zwitterionic dicarboxylate ligands","CrystEngComm","2012","14","4","1412","","10.1039/c1ce06216f","","","0.71073","MoKα","","0.0351","0.0283","","","0.0685","0.0721","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207207","16.592","0.005","10.452","0.003","16.77","0.005","90","","90.42","0.007","90","","2908.2","1.5","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","poly(Dicadmium bis(1,4-bis(imidazol-1'-yl)butane)bis(u-bromide)dibromide)","","","- C20 H28 Br4 Cd2 N8 O0 -","- C20 H28 Br4 Cd2 N8 -","- C80 H112 Br16 Cd8 N32 -","4","1","","Li, Xiaoju; Guo, Xiaofang; Weng, XiuLan; Lin, Shen","Two novel 2D cadmium(ii) MOFs based on flexible bis(imidazolyl) and zwitterionic dicarboxylate ligands","CrystEngComm","2012","14","4","1412","","10.1039/c1ce06216f","","","0.71073","MoKα","","0.0548","0.0383","","","0.0825","0.0901","","","","","","1.07","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207208","18.9009","0.0005","18.9009","0.0005","10.257","0.0003","90","","90","","90","","3664.25","0.17","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C22 H26 Be4 N2 O16 -","- C18 H10 Be4 O16 -","- C72 H40 Be16 O64 -","4","0.25","","Kang, Maoping; Luo, Daibing; Luo, Xiuchao; Chen, Ziyi; Lin, Zhien","Crystalline beryllium carboxylate frameworks with rutile-type and cubic-C3N4 topologies","CrystEngComm","2012","14","1","95","","10.1039/c1ce06224g","","","0.71073","MoKα","","0.1312","0.0799","","","0.2405","0.2676","","","","","","1.024","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207209","19.305","0.0002","19.305","0.0002","19.305","0.0002","90","","90","","90","","7194.65","0.13","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C48 H60 Be3 N6 O24 -","- C36 H12 Be3 O24 -","- C144 H48 Be12 O96 -","4","0.0833333","","Kang, Maoping; Luo, Daibing; Luo, Xiuchao; Chen, Ziyi; Lin, Zhien","Crystalline beryllium carboxylate frameworks with rutile-type and cubic-C3N4 topologies","CrystEngComm","2012","14","1","95","","10.1039/c1ce06224g","","","0.71073","MoKα","","0.078","0.0711","","","0.2169","0.2216","","","","","","1.234","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207210","23.695","0.009","8.371","0.003","15.078","0.006","90","","98.54","0.04","90","","2958","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 N4 O4 P2 S4 -","- C20 H36 N4 O4 P2 S4 -","- C80 H144 N16 O16 P8 S16 -","4","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0622","0.0386","","","0.086","0.0908","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207211","7.697","0.002","8.166","0.002","12.5","0.004","73.39","0.02","79.86","0.02","80.27","0.02","735.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 N4 O4 P2 S4 -","- C20 H36 N4 O4 P2 S4 -","- C20 H36 N4 O4 P2 S4 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0296","0.0271","","","0.0708","0.0718","","","","","","1.109","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207212","8.511","","23.619","0.009","19.907","0.009","90","","109.35","0.04","90","","3776","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H49 N4 O4 P2 S4 -","- C30 H49 N4 O4 P2 S4 -","- C120 H196 N16 O16 P8 S16 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.1617","0.0859","","","0.1684","0.1819","","","","","","1.123","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207213","21.051","0.011","15.013","0.008","15.837","0.008","90","","131.65","0.03","90","","3740","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26.83 H41.66 Cl1.67 N4 O5 P2 S4 -","- C26.833 H41.664 Cl1.666 N4 O5 P2 S4 -","- C107.332 H166.656 Cl6.664 N16 O20 P8 S16 -","4","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.1396","0.074","","","0.2027","0.2232","","","","","","0.985","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207214","45.212","0.002","8.3601","0.0004","19.7758","0.002","90","","105.821","0.007","90","","7191.6","0.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H54 N4 O4 P2 S4 -","- C27 H54 N4 O4 P2 S4 -","- C216 H432 N32 O32 P16 S32 -","8","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0804","0.0662","","","0.1638","0.1732","","","","","","1.047","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207215","8.307","0.003","16.535","0.006","20.361","0.007","90","","105.04","0.02","90","","2700.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl2 N4 O4 S2 -","- C25 H26 Cl2 N4 O4 S2 -","- C100 H104 Cl8 N16 O16 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0698","0.0515","","","0.1525","0.1604","","","","","","1.086","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207216","8.651","0.0017","8.653","0.0017","8.658","0.0017","61.51","0.03","61.51","0.03","61.51","0.03","473.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H4 Ag3 N7 -","- C5 H4 Ag3 N7 -","- C10 H8 Ag6 N14 -","2","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0533","0.0452","","","0.1001","0.1027","","","","","","1.222","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207217","14.331","0.002","8.8966","0.0014","14.657","0.002","90","","103.572","0.002","90","","1816.5","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 Ag3 N7 -","- C13 H20 Ag3 N7 -","- C52 H80 Ag12 N28 -","4","0.5","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0265","0.024","","","0.052","0.0541","","","","","","1.071","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207218","9.134","0.004","18.973","0.007","15.354","0.006","90","","91.718","0.006","90","","2659.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Ag4 N8 -","- C18 H28 Ag4 N8 -","- C72 H112 Ag16 N32 -","4","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.1117","0.0586","","","0.1508","0.2015","","","","","","1.024","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207219","16.821","0.005","10.432","0.003","27.753","0.009","90","","90","","90","","4870","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H28 Ag3 N7 -","- C17 H28 Ag3 N7 -","- C136 H224 Ag24 N56 -","8","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0987","0.0697","","","0.195","0.2178","","","","","","1.108","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207220","6.285","0.0003","8.3874","0.0004","27.2578","0.0013","90","","90","","90","","1436.89","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71073","MoKα","","0.0354","0.0337","","","0.0883","0.0896","","","","","","1.1","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207221","9.607","0.002","5.9725","0.0014","13.838","0.004","90","","110.434","0.003","90","","744","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71075","MoKα","","0.0479","0.0463","","","0.1182","0.1198","","","","","","1.046","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207222","12.633","0.002","6.0545","0.0011","31.019","0.006","90","","102.008","0.003","90","","2320.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71075","MoKα","","0.0467","0.042","","","0.1104","0.1147","","","","","","1.059","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207223","8.9656","0.0018","9.0023","0.0018","10.242","0.002","86.35","0.03","74.79","0.03","81.44","0.03","788.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cd N3 O8 -","- C13 H13 Cd N3 O8 -","- C26 H26 Cd2 N6 O16 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0256","0.0219","","","0.0641","0.066","","","","","","1.03","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207224","8.4601","0.0005","10.0552","0.0006","12.9572","0.0007","68.863","0.004","84.699","0.004","87.698","0.004","1023.66","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Cd N5 O7 -","- C18 H17 Cd N5 O7 -","- C36 H34 Cd2 N10 O14 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0707","0.0681","","","0.1881","0.192","","","","","","1.01","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207225","9.4852","0.0019","11.06","0.002","11.768","0.002","90.17","0.03","93.31","0.03","101.11","0.03","1209.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N4 O14 Zn2 -","- C21 H12 N4 O14 Zn2 -","- C42 H24 N8 O28 Zn4 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0487","0.0373","","","0.1136","0.1251","","","","","","0.997","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207226","12.2062","0.0006","14.1995","0.0007","15.5626","0.0008","65.057","0.002","82.427","0.002","66.15","0.002","2234.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 N6 O28 Zn5 -","- C37 H24 N6 O28 Zn5 -","- C74 H48 N12 O56 Zn10 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0288","0.0246","","","0.0623","0.0644","","","","","","1.04","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207227","12.608","0.004","14.324","0.005","15.693","0.005","63.256","0.004","81.245","0.004","64.466","0.003","2280.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 N6 O29 Zn5 -","- C37 H26 N6 O29 Zn5 -","- C74 H52 N12 O58 Zn10 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.056","0.0413","","","0.1091","0.1201","","","","","","1.035","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207228","34.433","0.012","12.141","0.003","30.332","0.008","90","","106.958","0.007","90","","12129","6","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H120 N16 Na8 Ni4 O48 -","- C108 H90 N16 Na8 Ni4 O48 -","- C432 H360 N64 Na32 Ni16 O192 -","4","0.5","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0917","0.0806","","","0.2","0.2068","","","","","","1.141","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207229","15.932","0.003","8.8699","0.0019","19.24","0.004","90","","91.679","0.004","90","","2717.7","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Fe N4 Ni O11 -","- C26 H20 Fe N4 Ni O11 -","- C104 H80 Fe4 N16 Ni4 O44 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0509","0.0481","","","0.1434","0.1455","","","","","","1.065","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207230","15.3667","0.001","9.0896","0.0006","24.9074","0.0012","90","","126.332","0.003","90","","2802.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N4 Ni2 O12 -","- C26 H26 N4 Ni2 O12 -","- C104 H104 N16 Ni8 O48 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0349","0.0276","","","0.0688","0.0726","","","","","","1.038","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207231","8.9653","0.0018","15.482","0.003","19.932","0.004","90.78","0.03","91.84","0.03","91.97","0.03","2763.2","1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 N8 Ni2 O26 Zn2 -","- C48 H52 N8 Ni2 O26 Zn2 -","- C96 H104 N16 Ni4 O52 Zn4 -","2","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.1016","0.062","","","0.1398","0.1735","","","","","","1.074","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207232","11.1075","0.0017","14.004","0.002","19.542","0.003","90","","92.756","0.003","90","","3036.2","0.8","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cd N6 Ni O10 -","- C30 H30 Cd N6 Ni O10 -","- C120 H120 Cd4 N24 Ni4 O40 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0275","0.0221","","","0.0563","0.0581","","","","","","1.03","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207233","11.3958","0.0017","18.9334","0.0017","22.595","0.003","90","","96.522","0.003","90","","4843.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H38 Cd2 N8 Ni2 O15 -","- C52 H36 Cd2 N8 Ni2 O15 -","- C208 H144 Cd8 N32 Ni8 O60 -","4","0.5","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0613","0.0499","","","0.0968","0.1032","","","","","","1.11","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207234","9.3129","0.0004","13.062","0.0005","18.7085","0.0007","79.439","0.002","84.354","0.002","69.584","0.002","2095.25","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H46 Cl2 N4 Ni O8 P2 S4 -","- C31 H46 Cl2 N4 Ni O8 P2 S4 -","- C62 H92 Cl4 N8 Ni2 O16 P4 S8 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann","Influence of CH2Cl2 for the structure stabilization of the NiII complex [Ni{6-MeO(O)CC6H4NHC(S)NP(S)(OiPr)2-1,5-S,S′}2]·CH2Cl2","CrystEngComm","2012","14","2","370","","10.1039/c1ce06322g","","","0.71073","MoKα","","0.0522","0.0333","","","0.0825","0.0919","","","","","","1.015","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207235","14.384","0.005","14.384","0.005","15.215","0.005","90","0.005","90","0.005","120","0.005","2726.2","1.6","98","2","98","2","","","","","","","","7","P 63","P 6c","173","","","","- C34 H42 B4 Cu4 F16 N12 O6 -","- C34 H42 B4 Cu4 F16 N12 O6 -","- C68 H84 B8 Cu8 F32 N24 O12 -","2","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.71069","MoKα","","0.0703","0.0685","","","0.1917","0.1941","","","","","","1.074","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207236","18.673","0.003","18.673","0.003","18.673","0.003","90","","90","","90","","6510.9","1.8","118","2","118","2","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C24 H18 Cu3 F9 N12 Si2 -","- C24 H18 Cu3 F9.04 N12 Si1.5 -","- C192 H144 Cu24 F72.32 N96 Si12 -","8","0.166667","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.7107","MoKα","","0.0727","0.0726","","","0.1728","0.1729","","","","","","1.422","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207237","14.897","0.009","5.819","0.003","17.441","0.01","90","","107.581","0.006","90","","1441.3","1.4","117","2","117","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Cu2 N6 O6 -","- C10 H10 Cu2 N6 O6 -","- C40 H40 Cu8 N24 O24 -","4","1","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.71073","MoKα","","0.0434","0.0317","","","0.0686","0.0718","","","","","","1.099","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207238","20.8073","0.0009","13.2133","0.0018","15.3486","0.0011","90","","132.126","0.002","90","","3129.7","0.5","108","2","108","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cl3 Cu3 N8 O12 -","- C20 H20 Cl3 Cu3 N8 O12 -","- C80 H80 Cl12 Cu12 N32 O48 -","4","0.5","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.7107","MoKα","","0.087","0.057","","","0.132","0.1475","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207239","20.8286","0.0007","12.9965","0.0005","15.3593","0.0005","90","","132.566","0.001","90","","3062.17","0.19","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 B3 Cu3 F12 N8 -","- C20 H20 B3 Cu3 F12 N8 -","- C80 H80 B12 Cu12 F48 N32 -","4","0.5","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.7107","MoKα","","0.0418","0.0326","","","0.0719","0.0761","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207240","25.317","0.012","9.877","0.005","26.864","0.012","90","","104.382","0.016","90","","6507","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 Ag2 N8 O7 -","- C30 H33 Ag2 N8 O7 -","- C240 H264 Ag16 N64 O56 -","8","1","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","3D →3D interpenetrated and 2D →3D polycatenated Ag(i) networks constructed from 1,4-bis(2-methylimidazol-1-ylmethyl)benzene and dicarboxylates","CrystEngComm","2012","14","2","379","","10.1039/c1ce06356a","","","0.71073","MoKα","","0.0755","0.0671","","","0.164","0.1698","","","","","","1.102","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207241","18.193","0.008","11.273","0.005","8.606","0.004","90","","91.271","0.008","90","","1764.6","1.4","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H41 Ag2 N8 O6 -","- C36 H41 Ag2 N8 O6 -","- C72 H82 Ag4 N16 O12 -","2","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","3D →3D interpenetrated and 2D →3D polycatenated Ag(i) networks constructed from 1,4-bis(2-methylimidazol-1-ylmethyl)benzene and dicarboxylates","CrystEngComm","2012","14","2","379","","10.1039/c1ce06356a","","","0.71073","MoKα","","0.0595","0.0543","","","0.1233","0.1262","","","","","","1.155","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207242","11.8301","0.0005","5.5761","0.0002","22.7922","0.0009","90","","100.493","0.002","90","","1478.36","0.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8.9 Ca O6.45 S -","- C14 H8.9 Ca O6.45 S -","- C56 H35.6 Ca4 O25.8 S4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0488","0.0393","","","0.1261","0.1342","","","","","","1.18","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207243","12.1722","0.0005","5.7277","0.0002","22.9034","0.0009","90","","98.857","0.002","90","","1577.75","0.11","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8.4 O6.2 S Sr -","- C14 H8.4 O6.2 S Sr -","- C56 H33.6 O24.8 S4 Sr4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0445","0.0316","","","0.0917","0.0976","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207244","11.7361","0.001","5.5499","0.0004","22.819","0.0018","90","","100.999","0.004","90","","1459","0.2","295","2","295","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","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal–organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0596","0.0428","","","0.1072","0.117","","","","","","1.037","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207245","12.1704","0.0005","5.7317","0.0003","22.8977","0.0009","90","","98.851","0.002","90","","1578.26","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 O6 S Sr -","- C14 H8 O6 S Sr -","- C56 H32 O24 S4 Sr4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0566","0.0344","","","0.0952","0.1057","","","","","","1.057","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207246","3.86154","0.00009","22.1115","0.0007","27.1691","0.0007","67.429","0.003","88.114","0.002","87.127","0.002","2139.2","0.11","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H48 Br3 N3 -","- C39 H24 Br3 N3 -","- C78 H48 Br6 N6 -","2","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.1685","0.1229","","","0.3324","0.3607","","","","","","1.118","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207247","39.9115","0.0007","3.86753","0.00007","46.725","0.0007","90","","103.615","0.0015","90","","7009.8","0.2","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C44.77 H31.21 Br3 N3 -","- C44.768 H31.21 Br3 N3 -","- C358.144 H249.68 Br24 N24 -","8","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.0886","0.0805","","","0.2533","0.2623","","","","","","1.034","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207248","39.8459","0.0011","3.8434","0.0001","46.6728","0.0018","90","","104.398","0.001","90","","6923.2","0.4","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C43.8 H29.49 Br3 N3 -","- C43.802 H29.488 Br3 N3 -","- C350.416 H235.904 Br24 N24 -","8","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.0881","0.0581","","","0.1421","0.1567","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207249","7.8884","0.0016","9.6713","0.0019","25.38","0.005","82.76","0.03","89.58","0.02","68.29","0.03","1783","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N6 O17.5 -","- C38 H26 N6 O17.5 -","- C76 H52 N12 O35 -","2","1","","Fu, Zhiyong; Zhang, Jie; Zeng, Yu; Tan, Yi; Liao, Shijun; Chen, Hengjun; Dai, Jingcao","Synthesis and structure of a mixed crystal containing tris(4-pyridiniumyl)-1,3,5-triazine and benzenetetracarboxylate ions: constructing a new photochromic molecular system via self-assembly","CrystEngComm","2012","14","3","786","","10.1039/c2ce06048e","","","0.71073","MoKα","","0.0937","0.0517","","","0.1413","0.1834","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207250","7.8201","0.0014","9.6697","0.0018","25.351","0.005","82.651","0.003","89.211","0.003","68.329","0.003","1765.7","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N6 O17.5 -","- C38 H26 N6 O17.5 -","- C76 H52 N12 O35 -","2","1","","Fu, Zhiyong; Zhang, Jie; Zeng, Yu; Tan, Yi; Liao, Shijun; Chen, Hengjun; Dai, Jingcao","Synthesis and structure of a mixed crystal containing tris(4-pyridiniumyl)-1,3,5-triazine and benzenetetracarboxylate ions: constructing a new photochromic molecular system via self-assembly","CrystEngComm","2012","14","3","786","","10.1039/c2ce06048e","","","0.71073","MoKα","","0.0719","0.0524","","","0.1507","0.1663","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207251","15.262","0.003","13.046","0.003","13.058","0.003","90","","102.54","0.03","90","","2537.9","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 Cu N10 O5 -","- C22 H26 Cu N10 O5 -","- C88 H104 Cu4 N40 O20 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming; Huang, Yun-Chieh; Lu, Kuang-Lieh","Hydrogen bond-organized two-fold interpenetrating homochiral pcu net","CrystEngComm","2012","14","4","1189","","10.1039/c2ce06055h","","","0.71073","MoKα","","0.0739","0.0456","","","0.0931","0.112","","","","","","1.039","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207252","29.5578","0.0014","10.5995","0.0006","7.5118","0.0004","90","","91.337","0.004","90","","2352.8","0.2","296","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H16 N6 O7 Pb -","- C14 H16 N6 O7 Pb -","- C56 H64 N24 O28 Pb4 -","4","1","","Hashemi, Lida; Morsali, Ali","Microwave assisted synthesis of a new lead(ii) porous three-dimensional coordination polymer: study of nanostructured size effect on high iodide adsorption affinity","CrystEngComm","2012","14","3","779","","10.1039/c2ce06133c","","","0.71073","MoKα","","0.0777","0.0455","","","0.094","0.1015","","","","","","0.964","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207253","12.164","0.007","19.0805","0.0011","16.115","0.007","90","","125.95","0.03","90","","3028","2","225","2","225","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","poly-(E,E)-((diethyl-2,2'-(1,2- phenylenebis(iminomethylidyne))bis(3-oxobutanato) (2-)- N,N',O$3,O!3')(bis(4-pyridylmethyl)sulfide)iron(ii)","poly-(E,E)-[{diethyl-2,2'-[1,2-phenylenebis(iminomethylidyne)]bis[3-oxobutanato] (2-)-N,N',O^3,O^3'}(bis(4-pyridylmethyl)sulfide)iron(II)","","- C32 H34 Fe N4 O6 S -","- C32 H34 Fe N4 O6 S -","- C128 H136 Fe4 N16 O24 S4 -","4","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0571","0.0363","","","0.0903","0.1097","","","","","","1.064","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207254","18.8103","0.0009","16.0825","0.0007","25.3728","0.0013","90","","90","","90","","7675.7","0.6","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeL4(bpms)]LS","","","- C42 H38 Fe N4 O6 S -","- C42 H38 Fe N4 O6 S -","- C336 H304 Fe8 N32 O48 S8 -","8","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0625","0.0324","","","0.0723","0.0771","","","","","","0.879","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207255","19.2017","0.0005","16.2729","0.0008","25.7799","0.0015","90","","90","","90","","8055.4","0.6","250","2","250","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeL4(bpms)]HS","","","- C42 H38 Fe N4 O6 S -","- C42 H38 Fe N4 O6 S -","- C336 H304 Fe8 N32 O48 S8 -","8","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0815","0.0346","","","0.0741","0.0815","","","","","","0.823","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207256","15.3011","0.0012","20.084","0.002","25.52","0.0019","90","","90","","90","","7842.5","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 Cu3 N6 O16 -","- C81 H68 Cu3 N6 O16 -","- C324 H272 Cu12 N24 O64 -","4","1","","Liu, Juan; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Homochiral assembly of polycatenated bilayers with mixing achiral ligands","CrystEngComm","2012","14","3","789","","10.1039/c2ce06297f","","","0.71073","MoKα","","0.1279","0.068","","","0.175","0.1955","","","","","","0.983","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207257","17.6497","0.0002","17.6497","0.0002","34.498","0.0005","90","","90","","120","","9306.8","0.2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C45 H66 Cu3 N6 O12 P3 S6 -","- C45 H66 Cu3 N6 O12 P3 S6 -","- C270 H396 Cu18 N36 O72 P18 S36 -","6","0.333333","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0473","0.032","","","0.0899","0.096","","","","","","1.058","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207258","27.4538","0.0009","27.4538","0.0009","10.7505","0.0004","90","","90","","90","","8102.8","0.5","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C60 H88 Ag4 N8 O16 P4 S8 -","- C60 H88 Ag4 N8 O16 P4 S8 -","- C240 H352 Ag16 N32 O64 P16 S32 -","4","0.25","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0791","0.0551","","","0.1237","0.1374","","","","","","1.049","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207259","11.8107","0.0004","19.7508","0.0005","27.3802","0.001","90","","90.034","0.003","90","","6387","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Cu3 N6 O12 P3 S6 -","- C48 H72 Cu3 N6 O12 P3 S6 -","- C192 H288 Cu12 N24 O48 P12 S24 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0593","0.0505","","","0.1353","0.1406","","","","","","1.039","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207260","21.14","0.004","14.841","0.003","25.156","0.005","90","","96.507","0.002","90","","7842","3","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H82 F6 N6 O15 P2 Pd S2 -","- C76 H82 F6 N6 O15 P2 Pd S2 -","- C304 H328 F24 N24 O60 P8 Pd4 S8 -","4","1","","Guha, Samit; Goodson, Flynt S.; Clark, Ronald J.; Saha, Sourav","Deciphering anion‒π-acceptor interactions and detecting fluoride using a naphthalenediimide-based Pd(ii) coordination polymer","CrystEngComm","2012","14","4","1213","","10.1039/c2ce06363h","","","0.71073","MoKα","","0.1154","0.0987","","","0.2443","0.2541","","","","","","1.161","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207261","8.8709","0.0018","30.672","0.006","13.972","0.003","90","","117.065","0.01","90","","3385.3","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H14 Cl N9 O12 Pb4 -","- C30 H14 Cl N9 O12 Pb4 -","- C120 H56 Cl4 N36 O48 Pb16 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Pan, Mei; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","An unprecedented (3,4,14)-connected 3D metal‒organic framework based on planar octanuclear lead(ii) clusters as a secondary building unit","CrystEngComm","2012","14","4","1193","","10.1039/c2ce06378f","","","0.71073","MoKα","","0.0817","0.0469","","","0.0915","0.1039","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207262","10.6142","0.0002","5.8945","0.0001","11.1109","0.0002","90","","90.093","0.002","90","","695.16","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0371","0.033","","","0.0832","0.0843","","","","","","1.006","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207263","22.438","0.001","7.1267","0.0002","16.9373","0.0007","90","","117.532","0.006","90","","2401.7","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0828","0.0477","","","0.1073","0.1136","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207264","11.883","0.0002","14.6412","0.0003","15.4699","0.0003","90","","108.565","0.002","90","","2551.42","0.09","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C128 H128 O24 -","8","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.083","0.0464","","","0.1048","0.1111","","","","","","1.007","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207265","9.0829","0.0002","8.4907","0.0002","14.0688","0.0003","90","","96.172","0.002","90","","1078.7","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0842","0.0549","","","0.1472","0.1552","","","","","","1.001","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207266","20.0779","0.0008","6.228","0.0003","7.2121","0.0003","90","","100.161","0.004","90","","887.69","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0976","0.0538","","","0.1122","0.1209","","","","","","1.001","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207267","8.1408","0.0002","10.6093","0.0002","15.5627","0.0003","90","","95.408","0.002","90","","1338.14","0.05","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","2","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0595","0.0448","","","0.0932","0.0963","","","","","","1.005","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207268","6.5117","0.0001","10.3653","0.0002","21.8661","0.0004","90","","90","","90","","1475.87","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0931","0.0572","","","0.1037","0.1142","","","","","","1.006","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207269","5.8452","0.0003","9.3279","0.0003","12.1599","0.0006","109.289","0.004","99.692","0.004","93.069","0.004","612.59","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 Cl3 O3 -","- C13 H7 Cl3 O3 -","- C26 H14 Cl6 O6 -","2","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0373","0.0282","","","0.0729","0.0747","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207270","7.8319","0.0002","12.3938","0.0005","24.6888","0.0007","90","","90","","90","","2396.47","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","2","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.09","0.0716","","","0.1627","0.1722","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207271","7.5217","0.0002","15.7302","0.0004","9.087","0.0002","90","","90","","90","","1075.15","0.05","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0604","0.044","","","0.0913","0.0945","","","","","","1.001","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207272","10.7746","0.0004","15.6168","0.0005","6.1107","0.0002","90","","98.201","0.003","90","","1017.7","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes – Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0994","0.0513","","","0.0924","0.0976","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207273","7.62","0.002","20.963","0.006","9.876","0.003","90","","90","","90","","1577.6","0.8","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 H9 Cd Cl N6 O -","- C6 H8 Cd Cl N6 O -","- C24 H32 Cd4 Cl4 N24 O4 -","4","0.25","","Cui, Yan-Feng; Qian, Xin; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from a 3D microporous cation network and 1D anion ladders","CrystEngComm","2012","14","4","1201","","10.1039/c2ce06397b","","","0.7107","MoKα","","0.0563","0.0544","","","0.2019","0.2036","","","","","","1.091","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207274","18.912","0.0018","7.5956","0.0008","13.8924","0.0014","90","","90","","90","","1995.6","0.3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H9 Cd2 Cl2 N12 O0.5 -","- C10 H8 Cd2 Cl2 N12 O0.5 -","- C40 H32 Cd8 Cl8 N48 O2 -","4","0.5","","Cui, Yan-Feng; Qian, Xin; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from a 3D microporous cation network and 1D anion ladders","CrystEngComm","2012","14","4","1201","","10.1039/c2ce06397b","","","0.71075","MoKα","","0.0639","0.0545","","","0.1649","0.173","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207275","11.5383","0.0005","11.7825","0.0003","16.8252","0.0008","90","","96.236","0.002","90","","2273.85","0.16","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 Fe N4 O4 -","- C50 H66 Fe N4 O4 -","- C100 H132 Fe2 N8 O8 -","2","0.5","","Stokes, Francesca A.; Coles, Martyn P.; Hitchcock, Peter B.","Into the second dimension with ferrocene bis-amidinium salts","CrystEngComm","2012","14","3","771","","10.1039/c2ce06398k","","x-ray","0.71073","MoKα","","0.0792","0.0478","","","0.0994","0.1137","","","","","","0.959","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207276","16.2731","0.0002","17.5849","0.0003","21.4064","0.0002","90","","90","","90","","6125.67","0.14","173","2","173","2","","","","","","","synthesis as described","5","P c a n","-P 2n 2c","60","","","","- C58 H97 Fe N5 O8 -","- C58 H97 Fe N5 O8 -","- C232 H388 Fe4 N20 O32 -","4","0.5","","Stokes, Francesca A.; Coles, Martyn P.; Hitchcock, Peter B.","Into the second dimension with ferrocene bis-amidinium salts","CrystEngComm","2012","14","3","771","","10.1039/c2ce06398k","","x-ray","0.7107","MoKα","","0.0899","0.0703","","","0.1582","0.1713","","","","","","1.035","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207277","12.5838","0.0004","19.5656","0.0005","25.605","0.0006","99.792","0.002","90.436","0.002","97.756","0.002","6152.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C224 H220 Mn24 N24 O101.5 -","- C224 H218 Mn24 N24 O101.5 -","- C224 H218 Mn24 N24 O101.5 -","1","0.5","","Katsenis, Athanassios D.; Inglis, Ross; Prescimone, Alessandro; Brechin, Euan K.; Papaefstathiou, Giannis S.","Two-dimensional frameworks built from Single-Molecule Magnets","CrystEngComm","2012","14","4","1216","","10.1039/c2ce06536c","","","1.5418","CuKα","","0.1601","0.0674","","","0.1494","0.1759","","","","","","0.919","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207278","14.7534","0.0004","16.3686","0.0004","22.2983","0.0006","101.659","0.002","101.396","0.002","96.649","0.002","5101.3","0.2","100","","100","","","","","","","","TKI173A sample","5","P -1","-P 1","2","","","","- C83.7 H100.8 Mn9 N9 O42.2 -","- C79.7 H83.8 Mn9 N9 O37.2 -","- C159.4 H167.6 Mn18 N18 O74.4 -","2","1","","Katsenis, Athanassios D.; Inglis, Ross; Prescimone, Alessandro; Brechin, Euan K.; Papaefstathiou, Giannis S.","Two-dimensional frameworks built from Single-Molecule Magnets","CrystEngComm","2012","14","4","1216","","10.1039/c2ce06536c","","","1.5418","CuKα","","0.116","0.0744","","0.016","0.0128","0.0128","","","","","","0.8617","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207279","31.97","0.04","6.334","0.009","20.49","0.03","90","","120.078","0.013","90","","3590","9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 O5.5 Zn -","- C17 H9 O4 Zn -","- C136 H72 O32 Zn8 -","8","1","","Ibarra, Ilich A.; Bayliss, Peter A.; Pérez, Eduardo; Yang, Sihai; Blake, Alexander J.; Nowell, Harriott; Allan, David R.; Poliakoff, Martyn; Schröder, Martin","Near-critical water, a cleaner solvent for the synthesis of a metal‒organic framework","Green Chemistry","2012","14","1","117","","10.1039/c1gc15726d","","","0.6889","synchrotron","","0.194","0.137","","","0.348","0.409","","","","","","1.13","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207280","9.7477","0.0005","11.3212","0.0006","12.8467","0.0007","72.948","0.001","88.665","0.001","65.903","0.001","1229.69","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26.5 H27 Cl2 N O P Rh -","- C26.5 H27 Cl2 N O P Rh -","- C53 H54 Cl4 N2 O2 P2 Rh2 -","2","1","","Makhubela, Banothile C. E.; Jardine, Anwar; Smith, Gregory S.","Rh(i) complexes supported on a biopolymer as recyclable and selective hydroformylation catalysts","Green Chemistry","2012","14","2","338","","10.1039/c1gc15979h","","","0.71073","MoKα","","0.0288","0.0243","","","0.059","0.0612","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207309","7.6535","0.0003","18.7315","0.0008","8.4452","0.0004","90","","99.254","0.002","90","","1194.96","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","acetonitrile silver bistriflimide","acetonitrile silver bis(trifluoromethyl)sulfonylimide","","- C4 H3 Ag F6 N2 O4 S2 -","- C4 H3 Ag F6 N2 O4 S2 -","- C16 H12 Ag4 F24 N8 O16 S8 -","4","1","","Schaltin, Stijn; Brooks, Neil R.; Stappers, Linda; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","High current density electrodeposition from silver complex ionic liquids.","Physical chemistry chemical physics : PCCP","2012","14","5","1706","1715","10.1039/c2cp22987k","","","1.54178","CuKα","","0.0415","0.0387","","","0.0955","0.0974","","","","","","1.105","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207310","14.9257","0.0003","8.6793","0.0002","16.5837","0.0003","90","","108.698","0.001","90","","2034.94","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","bis(1-ethylimidazome)silver bistrifimide","bis(1-ethylimidazome)silver bis(trifluoromethyl)sulfonylimide","","- C12 H16 Ag F6 N5 O4 S2 -","- C12 H16 Ag F6 N5 O4 S2 -","- C48 H64 Ag4 F24 N20 O16 S8 -","4","1","","Schaltin, Stijn; Brooks, Neil R.; Stappers, Linda; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","High current density electrodeposition from silver complex ionic liquids.","Physical chemistry chemical physics : PCCP","2012","14","5","1706","1715","10.1039/c2cp22987k","","","1.54178","CuKα","","0.0341","0.0297","","","0.0708","0.0731","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207311","13.773","0.004","6.7999","0.0018","15.291","0.004","90","","96.715","0.003","90","","1422.3","0.7","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","7-(Methylsulfinyl)-14-phenylbenzo(5,6)tetraceno(1,12,11,10- jklmna)acridin-14-ium hexafluorophosphate(V), acetonitrile solvate","7-(Methylsulfinyl)-14-phenylbenzo[5,6]tetraceno[1,12,11,10-jklmna]acridin-14-ium hexafluorophosphate(V), acetonitrile solvate","","- C36 H23 F6 N2 O P S -","- C36 H23 F6 N2 O P S -","- C72 H46 F12 N4 O2 P2 S2 -","2","0.5","","Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W.","Photoinduced charge shift and charge recombination through an alkynyl spacer for an expanded acridinium-based dyad.","Physical chemistry chemical physics : PCCP","2012","14","9","3194","3199","10.1039/c2cp23273a","","","0.6709","synchrotron","","0.0909","0.0755","","","0.2157","0.2342","","","","","","1.051","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207312","14.1772","0.0019","14.2156","0.0018","13.9291","0.0019","90","","97.092","0.003","90","","2785.8","0.6","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 N6 O2 -","- C34 H24 N6 O2 -","- C136 H96 N24 O8 -","4","1","","Zhang, Ming-Dao; Pan, Hao; Ju, Xue-Hai; Ji, Ya-Jun; Qin, Ling; Zheng, He-Gen; Zhou, Xing-Fu","Improvement of dye-sensitized solar cells' performance through introducing suitable heterocyclic groups to triarylamine dyes.","Physical chemistry chemical physics : PCCP","2012","14","8","2809","2815","10.1039/c2cp23876d","","","0.71073","MoKα","","0.1213","0.0574","","","0.1221","0.137","","","","","","1.013","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207324","19.39","0.004","11.906","0.003","12.766","0.003","90","","90","","90","","2947.1","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H29 Br Co N6 O5 -","- C29 H29 Br Co N6 O5 -","- C116 H116 Br4 Co4 N24 O20 -","4","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0663","0.0512","","","0.1233","0.13","","","","","","1.009","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207325","13.3734","0.0013","16.6806","0.0016","16.815","0.0015","111.657","0.001","97.436","0.001","102.73","0.001","3307.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58.46 Br3 Co3 N12 O12.73 -","- C66 H58.456 Br3 Co3 N12 O12.728 -","- C132 H116.912 Br6 Co6 N24 O25.456 -","2","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0738","0.0476","","","0.119","0.1309","","","","","","1.066","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207326","24.2834","0.0009","20.5803","0.0009","12.6997","0.0004","90","","90","","90","","6346.8","0.4","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C28 H26 N4 Ni O8 S -","- C28 H22 N4 Ni O6 S -","- C224 H176 N32 Ni8 O48 S8 -","8","","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.1261","0.0534","","","0.0886","0.1004","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207327","10.1202","0.0016","10.883","0.0017","13.409","0.002","70.501","0.002","87.561","0.003","76.947","0.003","1355.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27.76 N4 Ni O7.38 S -","- C28 H24 N4 Ni O7.383 S -","- C56 H48 N8 Ni2 O14.766 S2 -","2","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0444","0.0375","","","0.0877","0.0902","","","","","","1.04","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207328","10.081","0.002","22.229","0.004","9.462","0.0019","90","","114.5","0.03","90","","1929.4","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H14 Ag Ho N4 O11 -","- C18 H14 Ag Ho N4 O11 -","- C72 H56 Ag4 Ho4 N16 O44 -","4","1","","Ding, Fu; Song, Xiao; Jiang, Bing; Smet, Philippe F.; Poelman, Dirk; Xiong, Gang; Wu, Yong-Li; Gao, En-Jun; Verpoort, Francis; Sun, Ya-Guang","Two new Ln/Ag heterometallic-based conversion phosphors constructed by 1H-benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","5","1753","","10.1039/c1ce06012k","","","0.71073","MoKα","","0.0217","0.0213","","","0.0525","0.0527","","","","","","0.973","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207329","7.732","0.003","12.238","0.005","12.394","0.004","81.707","0.013","71.83","0.02","89.722","0.009","1101.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H9 Ag Eu N4 O13 -","- C18 H9 Ag Eu N4 O13 -","- C36 H18 Ag2 Eu2 N8 O26 -","2","1","","Ding, Fu; Song, Xiao; Jiang, Bing; Smet, Philippe F.; Poelman, Dirk; Xiong, Gang; Wu, Yong-Li; Gao, En-Jun; Verpoort, Francis; Sun, Ya-Guang","Two new Ln/Ag heterometallic-based conversion phosphors constructed by 1H-benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","5","1753","","10.1039/c1ce06012k","","","0.71075","MoKα","","0.1257","0.0814","","","0.1647","0.1956","","","","","","1.079","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207330","12.204","0.001","8.196","0.001","18.415","0.002","90","","105.23","0.01","90","","1777.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag2 N8 O7 -","- C12 H14 Ag2 N8 O7 -","- C48 H56 Ag8 N32 O28 -","4","0.5","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0529","0.0361","","","0.0837","0.0901","","","","","","1.044","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207331","12.2275","0.0007","21.7867","0.0013","7.0262","0.0004","90","","90","","90","","1871.76","0.19","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C14 H12 Ag2 N8 S2 -","- C14 H12 Ag2 N8 S2 -","- C56 H48 Ag8 N32 S8 -","4","","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0247","0.0228","","","0.0537","0.0551","","","","","","1.06","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207332","5.8963","0.0004","7.1928","0.0004","10.9481","0.0007","73.61","0.001","86.576","0.001","87.068","0.001","444.37","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cd N8 S2 -","- C14 H12 Cd N8 S2 -","- C14 H12 Cd N8 S2 -","1","0.5","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0189","0.0185","","","0.0493","0.0496","","","","","","1.056","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207333","4.1197","0.0002","8.0163","0.0004","12.4386","0.0008","91.739","0.003","94.104","0.003","94.716","0.003","408.07","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cd I2 N6 -","- C12 H12 Cd I2 N6 -","- C12 H12 Cd I2 N6 -","1","0.5","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0165","0.0161","","","0.0416","0.0419","","","","","","1.103","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207334","9.3233","0.001","10.1051","0.0011","23.432","0.002","78.751","0.001","79.329","0.001","76.21","0.001","2080.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H43 N6 O9 Zn2 -","- C44 H43 N6 O9 Zn2 -","- C88 H86 N12 O18 Zn4 -","2","1","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand","CrystEngComm","2012","14","5","1729","","10.1039/c1ce06050c","","","0.71073","MoKα","","0.0428","0.0329","","","0.0807","0.0859","","","","","","1.02","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207335","9.0907","0.0009","11.4058","0.0011","12.0885","0.0012","79.066","0.001","84.264","0.001","77.018","0.001","1197.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 N6 O16 Zn3 -","- C48 H42 N6 O16 Zn3 -","- C48 H42 N6 O16 Zn3 -","1","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand","CrystEngComm","2012","14","5","1729","","10.1039/c1ce06050c","","","0.71073","MoKα","","0.0285","0.0254","","","0.0692","0.0704","","","","","","1.071","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207336","9.876","0.001","11.3027","0.0011","12.0107","0.0012","77.3","0.001","81.594","0.001","66.021","0.001","1192.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 N6 O16 Zn3 -","- C48 H40 N6 O16 Zn3 -","- C48 H40 N6 O16 Zn3 -","1","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand","CrystEngComm","2012","14","5","1729","","10.1039/c1ce06050c","","","0.71073","MoKα","","0.0296","0.0264","","","0.0732","0.0746","","","","","","1.068","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207337","7.6366","0.0007","15.5557","0.0014","15.0141","0.0014","90","","90.395","0.001","90","","1783.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N2 O -","- C23 H21 N2 O -","- C92 H84 N8 O4 -","4","2","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.1182","0.0989","","","0.2711","0.2891","","","","","","1.054","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207338","14.428","0.002","7.4072","0.0012","33.289","0.005","90","","91.483","0.002","90","","3556.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O2 -","- C23 H21 N2 O2 -","- C184 H168 N16 O16 -","8","2","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.1664","0.0723","","","0.1172","0.1407","","","","","","0.961","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207339","9.9817","0.0002","7.3687","0.0001","25.0583","0.0005","90","","94.737","0.001","90","","1836.8","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O2 -","- C23 H21 N2 O2 -","- C92 H84 N8 O8 -","4","1","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.0451","0.0386","","","0.1035","0.1101","","","","","","1.051","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207340","15.354","0.0003","7.5164","0.0002","18.7218","0.0004","90","","97.967","0.0013","90","","2139.77","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 F6 N4 O4 -","- C52 H42 F6 N4 O4 -","- C104 H84 F12 N8 O8 -","2","0.5","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.0632","0.0508","","","0.129","0.1371","","","","","","1.022","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207341","10.322","0.005","7.181","0.003","24.037","0.011","90","","98.018","0.006","90","","1764.3","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O -","- C23 H21 N2 O1.097 -","- C92 H84 N8 O4.388 -","4","1","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.064","0.0453","","","0.1054","0.1155","","","","","","1.031","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207342","17.376","0.0014","17.376","0.0014","10.304","0.0017","90","","90","","90","","3111","0.6","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C6 H3 Cl2 O Tl -","- C6 H3 Cl2 O Tl -","- C96 H48 Cl32 O16 Tl16 -","16","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0361","0.0291","","","0.0615","0.0636","","","","","","1.113","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207343","30.758","0.015","3.8153","0.0018","16.345","0.007","90","","122.1","0.001","90","","1624.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cl3 O Tl -","- C6 H2 Cl3 O Tl -","- C48 H16 Cl24 O8 Tl8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0177","0.0172","","","0.0474","0.0479","","","","","","1","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207344","10.3447","0.0012","19.514","0.002","6.392","0.0007","90","","90","","90","","1290.3","0.2","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H4 F O Tl -","- C6 H4 F O Tl -","- C48 H32 F8 O8 Tl8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0339","0.0282","","","0.0713","0.074","","","","","","1.094","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207345","19.8127","0.0014","7.6404","0.0005","14.2901","0.0017","90","","132.817","0.003","90","","1586.8","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H12 Cl8 O4 Tl4 -","- C24 H12 Cl8 O4 Tl4 -","- C48 H24 Cl16 O8 Tl8 -","2","0.5","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0894","0.0831","","","0.2073","0.2133","","","","","","1.086","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207346","3.8883","0.0004","19.8849","0.0019","9.7499","0.0008","90","","94.92","0.005","90","","751.07","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Cl2 O Tl -","- C6 H3 Cl2 O Tl -","- C24 H12 Cl8 O4 Tl4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0168","0.015","","","0.0347","0.0353","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207347","14.1678","0.0007","14.1678","0.0007","7.0565","0.0007","90","","90","","90","","1416.43","0.17","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C24 H16 Cl4 O4 Tl4 -","- C24 H16 Cl4 O4 Tl4 -","- C48 H32 Cl8 O8 Tl8 -","2","0.25","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0322","0.0314","","","0.0724","0.0727","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207348","10.0853","0.0005","15.7875","0.0008","10.31","0.0005","90","","104.334","0.002","90","","1590.47","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H16 I4 O4 Tl4 -","- C24 H16 I4 O4 Tl4 -","- C48 H32 I8 O8 Tl8 -","2","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0297","0.0269","","","0.0573","0.0582","","","","","","0.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207349","17.4773","0.0007","17.4773","0.0007","10.2912","0.0002","90","","90","","90","","3143.51","0.19","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C24 H12 Br4 Cl4 O4 Tl4 -","- C24 H12 Br4 Cl4 O4 Tl4 -","- C96 H48 Br16 Cl16 O16 Tl16 -","4","0.25","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0542","0.0326","","","0.0778","0.1142","","","","","","1.108","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207350","15.1961","0.0004","15.0703","0.0004","26.0915","0.0007","90","","90","","90","","5975.2","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H12 Cl4 F4 O4 Tl4 -","- C24 H12 Cl4 F4 O4 Tl4 -","- C192 H96 Cl32 F32 O32 Tl32 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0478","0.0281","","","0.0616","0.0722","","","","","","0.996","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207351","18.164","0.002","14.237","0.002","8.9017","0.0013","90","","109.17","0.007","90","","2174.3","0.5","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C28 H34 Ag2 B2 F8 N8 O5 S6 -","- C28 H24 Ag2 B2 F8 N8 O4.998 S6 -","- C56 H48 Ag4 B4 F16 N16 O9.996 S12 -","2","0.25","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.0665","0.0548","","","0.1396","0.1487","","","","","","1.095","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207352","29.96","0.03","5.629","0.004","20.905","0.017","90","","104.337","0.014","90","","3416","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag N5 O2 S3 -","- C14 H12 Ag N5 O2 S3 -","- C112 H96 Ag8 N40 O16 S24 -","8","1","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.0813","0.0472","","","0.0955","0.1086","","","","","","1.046","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207353","26.283","0.006","26.418","0.006","10.625","0.002","90","","90","","90","","7377","3","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C56 H48 Ag4 N20 O12 S12 -","- C56 H48 Ag4 N20 O12 S12 -","- C224 H192 Ag16 N80 O48 S48 -","4","0.5","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.1304","0.0771","","","0.1944","0.2111","","","","","","1.038","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207354","13.86","0.004","15.78","0.003","13.325","0.003","90","","90","","90","","2914.3","1.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H18 Cd2 N8 O8 -","- C30 H18 Cd2 N8 O8 -","- C120 H72 Cd8 N32 O32 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0682","0.0406","","","0.0545","0.0616","","","","","","0.964","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207355","8.652","0.002","9.105","0.006","12.29","0.005","93.175","0.004","100.408","0.003","113.747","0.008","862.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cd3 N6 O21 -","- C30 H18 Cd3 N6 O21 -","- C30 H18 Cd3 N6 O21 -","1","0.5","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0374","0.0313","","","0.0872","0.09","","","","","","0.997","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207356","8.743","0.005","9.887","0.005","11.655","0.001","71.127","0.009","72.77","0.001","65.701","0.005","853.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 Cd2 Cl N3 O8 -","- C14 H8 Cd2 Cl N3 O8 -","- C28 H16 Cd4 Cl2 N6 O16 -","2","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.029","0.0258","","","0.0679","0.0693","","","","","","1.088","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207357","13.562","0.006","6.941","0.002","16.19","0.001","90","","102.243","0.003","90","","1489.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cd2 N3 O8 -","- C12 H11 Cd2 N3 O8 -","- C48 H44 Cd8 N12 O32 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0421","0.0291","","","0.0618","0.066","","","","","","0.936","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207358","8.259","0.008","10.892","0.001","16.45","0.009","90","","98.025","0.008","90","","1465.3","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N3 O10 Zn2 -","- C12 H8 N3 O10 Zn2 -","- C48 H32 N12 O40 Zn8 -","4","0.5","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0543","0.0436","","","0.1199","0.1374","","","","","","0.986","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207359","8.301","0.006","14.878","0.005","11.575","0.004","90","","90.854","0.009","90","","1429.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Eu N3 O9 -","- C11 H5 Eu N3 O9 -","- C44 H20 Eu4 N12 O36 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.049","0.0311","","","0.0675","0.0734","","","","","","1.011","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207360","8.321","0.009","14.724","0.001","11.522","0.003","90","","90.797","0.007","90","","1411.5","1.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O9 Tb -","- C11 H7 N3 O9 Tb -","- C44 H28 N12 O36 Tb4 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0478","0.0312","","","0.0661","0.07","","","","","","1.02","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207361","9.5565","0.0005","12.4706","0.0006","22.8429","0.001","90","","102.6","0.002","90","","2656.7","0.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H42 Mn3 N8 O22 -","- C30 H42 Mn3 N8 O22 -","- C60 H84 Mn6 N16 O44 -","2","1","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.0519","0.0454","","","0.1089","0.113","","","","","","0.981","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207362","14.3147","0.0015","12.5692","0.0013","17.753","0.002","90","","94.401","0.006","90","","3184.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Mn3 N12 O24 -","- C48 H78 Mn3 N12 O24 -","- C96 H156 Mn6 N24 O48 -","2","0.5","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.0474","0.0398","","","0.1022","0.1076","","","","","","1.034","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207363","13.112","0.0011","23.1084","0.0019","6.7362","0.0006","90","","92.986","0.001","90","","2038.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Mn N4 O10 -","- C18 H19 Mn N4 O10 -","- C72 H76 Mn4 N16 O40 -","4","1","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.085","0.0655","","","0.1667","0.186","","","","","","1.108","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207364","10.8218","0.0011","15.0383","0.0016","16.836","0.0017","87.608","0.002","87.621","0.002","72.264","0.002","2606.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N6 O15 Zn2 -","- C20 H18 N6 O15 Zn2 -","- C80 H72 N24 O60 Zn8 -","4","2","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0951","0.0795","","","0.1784","0.186","","","","","","1.184","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207365","20.592","0.004","7.4868","0.0012","17.275","0.003","90","","123.44","0.006","90","","2222.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N6 O13 Zn2 -","- C20 H20 N6 O13 Zn2 -","- C80 H80 N24 O52 Zn8 -","4","0.5","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0336","0.0318","","","0.0939","0.0949","","","","","","1.075","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207366","10.3253","0.0018","10.6116","0.0017","11.0121","0.0019","90","","115.701","0.003","90","","1087.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O5 Zn -","- C10 H7 N3 O5 Zn -","- C40 H28 N12 O20 Zn4 -","4","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0429","0.0374","","","0.0939","0.0967","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207367","11.1185","0.0016","10.599","0.0015","9.7609","0.0013","90","","116.445","0.002","90","","1029.9","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H7 N3 O5 Zn -","- C10 H7 N3 O5 Zn -","- C40 H28 N12 O20 Zn4 -","4","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0374","0.0372","","","0.0938","0.0941","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207368","10.9277","0.0012","21.32","0.002","21.32","0.002","82.64","","75.341","0.002","75.341","0.002","4638.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 N24 O48 Zn10 -","- C80 H46 N24 O48 Zn10 -","- C160 H92 N48 O96 Zn20 -","2","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.1585","0.13","","","0.2757","0.2854","","","","","","1.202","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207384","8.8102","0.0002","15.6323","0.0004","16.3592","0.0004","103.544","0.001","100.811","0.001","90.1909","0.0012","2148.88","0.09","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Co2 N6 O13 -","- C33 H25 Co2 N5 O9 -","- C66 H50 Co4 N10 O18 -","2","1","","Song, Ping; Liu, Bin; Li, Yaoqi; Yang, Junzhi; Wang, Zheming; Li, Xingguo","Two pillared-layer metal‒organic frameworks constructed with Co(ii), 1,2,4,5-benzenetetracarboxylate, and 4,4′-bipyridine: syntheses, crystal structures, and gas adsorption properties","CrystEngComm","2012","14","6","2296","","10.1039/c2ce05586d","","","0.71073","MoKα","","0.083","0.0431","","","0.107","0.1155","","","","","","0.924","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7207385","10.2537","0.0002","13.3383","0.0003","11.6839","0.0003","90","","120.648","0.001","90","","1374.76","0.06","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Co2 N4 O10 -","- C26 H24 Co2 N4 O10 -","- C52 H48 Co4 N8 O20 -","2","0.5","","Song, Ping; Liu, Bin; Li, Yaoqi; Yang, Junzhi; Wang, Zheming; Li, Xingguo","Two pillared-layer metal‒organic frameworks constructed with Co(ii), 1,2,4,5-benzenetetracarboxylate, and 4,4′-bipyridine: syntheses, crystal structures, and gas adsorption properties","CrystEngComm","2012","14","6","2296","","10.1039/c2ce05586d","","","0.71073","MoKα","","0.0691","0.0376","","","0.0965","0.1036","","","","","","1.047","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207386","13.7314","0.0002","7.6426","0.0002","14.8068","0.0003","90","","96.755","0.002","90","","1543.09","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraaquacobalt(ii)-trans-1,2-bis(4-pyridil) -ethylene bis- aminosalicylate tetraahydrate","tetraaquacobalt(II)-trans-1,2-bis(4-pyridil) -ethylene bis-aminosalicylate tetraahydrate","","- C26 H38 Co N4 O14 -","- C26 H38 Co N4 O14 -","- C52 H76 Co2 N8 O28 -","2","0.5","","Garcia, Humberto C.; Diniz, Renata; de Oliveira, Luiz Fernando C.","An interesting pseudo-honeycomb supramolecular arrangement obtained from the interaction between 4-aminosalicylic acid, trans-1,2-bis(4-pyridyl)ethylene and transition metal ions","CrystEngComm","2012","14","5","1812","","10.1039/c2ce05771a","","","0.71073","MoKα","","0.0474","0.0396","","","0.1336","0.14","","","","","","1.182","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207387","13.641","0.0003","7.65426","0.00019","14.7589","0.0003","90","","96.6889","0.0019","90","","1530.51","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraaquanickel(ii)-trans-1,2-bis(4-pyridil) -ethylene bis- aminosalicylate tetrahydrate","tetraaquanickel(II)-trans-1,2-bis(4-pyridil) -ethylene bis-aminosalicylate tetrahydrate","","- C26 H38 N4 Ni O14 -","- C26 H38 N4 Ni O14 -","- C52 H76 N8 Ni2 O28 -","2","0.5","","Garcia, Humberto C.; Diniz, Renata; de Oliveira, Luiz Fernando C.","An interesting pseudo-honeycomb supramolecular arrangement obtained from the interaction between 4-aminosalicylic acid, trans-1,2-bis(4-pyridyl)ethylene and transition metal ions","CrystEngComm","2012","14","5","1812","","10.1039/c2ce05771a","","","0.71073","MoKα","","0.053","0.0429","","","0.1446","0.155","","","","","","1.13","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207388","13.7232","0.0003","7.6423","0.0002","14.8063","0.0004","90","","96.804","0.002","90","","1541.9","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraaquazinc(ii)-trans-1,2-bis(4-pyridil)-ethylene bis- aminosalicylate tetraahydrate","tetraaquazinc(II)-trans-1,2-bis(4-pyridil)- ethylene bis-aminosalicylate tetraahydrate","","- C26 H38 N4 O14 Zn -","- C26 H38 N4 O14 Zn -","- C52 H76 N8 O28 Zn2 -","2","0.5","","Garcia, Humberto C.; Diniz, Renata; de Oliveira, Luiz Fernando C.","An interesting pseudo-honeycomb supramolecular arrangement obtained from the interaction between 4-aminosalicylic acid, trans-1,2-bis(4-pyridyl)ethylene and transition metal ions","CrystEngComm","2012","14","5","1812","","10.1039/c2ce05771a","","","0.71073","MoKα","","0.04","0.0328","","","0.1005","0.1119","","","","","","1.158","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207389","9.8549","0.001","12.9803","0.0013","13.1435","0.0013","88.025","0.002","78.041","0.002","85.364","0.002","1639.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cu4 N8 O17 S2 -","- C24 H26 Cu4 N8 O17 S2 -","- C48 H52 Cu8 N16 O34 S4 -","2","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0459","0.0415","","","0.1072","0.1093","","","","","","1.069","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207390","11.3702","0.0014","17.1","0.002","17.374","0.002","90","","90","","90","","3378","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cu2 N4 O9 S -","- C12 H14 Cu2 N4 O9 S -","- C96 H112 Cu16 N32 O72 S8 -","8","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0435","0.0363","","","0.0956","0.0979","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207391","9.763","0.002","15.902","0.004","9.503","0.002","90","","109.733","0.004","90","","1388.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu2 N6 O -","- C14 H8 Cu2 N6 O -","- C56 H32 Cu8 N24 O4 -","4","0.5","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0457","0.0346","","","0.0785","0.0807","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207392","7.2659","0.0014","9.9624","0.0019","13.716","0.003","94.208","0.004","98.334","0.003","103.15","0.004","950.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cu2 N4 O7 -","- C20 H14 Cu2 N4 O7 -","- C40 H28 Cu4 N8 O14 -","2","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.066","0.0442","","","0.0692","0.0725","","","","","","0.949","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207393","3.7781","0.0017","12.032","0.005","11.896","0.005","90","","91.585","0.009","90","","540.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C24 H16 Cu2 N4 O8 -","2","0.5","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5–tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0538","0.0386","","","0.0734","0.0756","","","","","","1.001","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207394","8.8209","0.0003","13.7896","0.0005","18.6855","0.0006","90","","90","","90","","2272.84","0.13","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H12 Eu N4 Na O8 -","- C24 H12 Eu N4 Na O8 -","- C96 H48 Eu4 N16 Na4 O32 -","4","0.5","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0239","0.0213","","","0.0579","0.0593","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207395","8.8179","0.0003","13.7604","0.0003","18.66","0.0004","90","","90","","90","","2264.16","0.1","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H12 N4 Na O8 Tb -","- C24 H12 N4 Na O8 Tb -","- C96 H48 N16 Na4 O32 Tb4 -","4","0.5","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0198","0.0164","","","0.0428","0.0443","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207396","8.7617","0.0008","21.2393","0.0018","15.8856","0.0011","90","","121.147","0.004","90","","2530","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Eu K N4 O9 -","- C25 H16 Eu K N4 O9 -","- C100 H64 Eu4 K4 N16 O36 -","4","1","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali–lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0519","0.0367","","","0.0794","0.0856","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207397","8.8249","0.0001","21.0395","0.0003","15.8776","0.0003","90","","120.844","0.002","90","","2531.07","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 K N4 O9 Tb -","- C25 H16 K N4 O9 Tb -","- C100 H64 K4 N16 O36 Tb4 -","4","1","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali–lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","1.54178","CuKα","","0.0763","0.0707","","","0.1732","0.1805","","","","","","1.096","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207398","22.3163","0.0005","22.3163","0.0005","12.7222","0.0006","90","","90","","90","","6335.9","0.4","185","2","185","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C25.9 H23.1 N5.3 Ni O5.3 -","- C22 H14 N4 Ni O4 -","- C176 H112 N32 Ni8 O32 -","8","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.0602","0.047","","","0.1174","0.1225","","","","","","1.015","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207399","6.1802","0.0004","29.4218","0.0018","23.3127","0.0014","90","","95.663","0.001","90","","4218.3","0.5","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 N8 O9 Zn2 -","- C39 H36 N8 O9 Zn2 -","- C156 H144 N32 O36 Zn8 -","4","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.1023","0.063","","","0.1848","0.21","","","","","","1.062","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207400","8.1191","0.0005","18.8297","0.0011","18.7331","0.0012","90","","100.574","0.001","90","","2815.3","0.3","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Cd N7 O7 -","- C22 H14 Cd N4 O4 -","- C88 H56 Cd4 N16 O16 -","4","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.0502","0.0373","","","0.1009","0.1048","","","","","","1.03","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207401","24.803","0.0005","24.803","0.0005","16.3693","0.0003","90","","90","","120","","8721.1","0.3","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C96 H66 Co12 N15 O46 -","- C96 H66 Co12 N15 O46 -","- C192 H132 Co24 N30 O92 -","2","0.166667","","Chen, Qing; Xue, Wei; Wang, Bao-Ying; Zeng, Ming-Hua; Chen, Xiao-Ming","Unprecedented binodal (7,9)-connected network based on distinct tricobalt(ii) clusters: structure, topology and cooperative magnetism","CrystEngComm","2012","14","6","2009","","10.1039/c2ce06020e","","","0.71075","MoKα","","0.0806","0.0703","","","0.2174","0.2371","","","","","","1.047","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207402","6.7174","0.0013","22.973","0.005","7.2182","0.0014","90","","100.255","0.002","90","","1096.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd N4 O5 -","- C8 H8 Cd N4 O5 -","- C32 H32 Cd4 N16 O20 -","4","1","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0265","0.0225","","","0.0545","0.0565","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207403","11.2987","0.0013","19.407","0.002","8.4415","0.001","90","","90","","90","","1851","0.4","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H6 Cd N4 O4 -","- C8 H6 Cd N4 O4 -","- C64 H48 Cd8 N32 O32 -","8","0.5","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0246","0.024","","","0.0729","0.0738","","","","","","1.084","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207404","6.3478","0.0017","7.609","0.002","17.406","0.005","84.001","0.003","89.051","0.003","66.246","0.003","765","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Cd2 N4 O10 S -","- C8 H10 Cd2 N4 O10 S -","- C16 H20 Cd4 N8 O20 S2 -","2","1","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0587","0.0559","","","0.1857","0.1877","","","","","","1.096","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207405","14.0366","0.0005","8.0126","0.0003","17.497","0.0007","90","","98.2","0.004","90","","1947.76","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 N8 O12 Zn -","- C34 H28 Cl2 N8 O12 Zn -","- C68 H56 Cl4 N16 O24 Zn2 -","2","0.5","","Li, Guo-Bi; He, Jian-Rong; Liu, Jun-Min; Su, Cheng-Yong","Anion effect on the structural diversity of three 1D coordination polymers based on a pyridyl diimide ligand","CrystEngComm","2012","14","6","2152","","10.1039/c2ce06147c","","","0.71073","MoKα","","0.1205","0.0765","","","0.2254","0.2725","","","","","","1.091","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207406","13.44","0.005","18.453","0.005","11.221","0.005","90","","107.95","0.005","90","","2647.4","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 N4 O6 Zn -","- C26 H16 Cl2 N4 O6 Zn -","- C104 H64 Cl8 N16 O24 Zn4 -","4","0.5","","Li, Guo-Bi; He, Jian-Rong; Liu, Jun-Min; Su, Cheng-Yong","Anion effect on the structural diversity of three 1D coordination polymers based on a pyridyl diimide ligand","CrystEngComm","2012","14","6","2152","","10.1039/c2ce06147c","","","0.71073","MoKα","","0.0963","0.0563","","","0.1282","0.143","","","","","","1.005","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207407","8.5441","0.0006","9.5798","0.0007","12.6628","0.0009","71.189","0.006","87.143","0.006","78.616","0.006","961.69","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 F6 N4 O17 S2 Zn -","- C28 H24 F6 N4 O17 S2 Zn -","- C28 H24 F6 N4 O17 S2 Zn -","1","0.5","","Li, Guo-Bi; He, Jian-Rong; Liu, Jun-Min; Su, Cheng-Yong","Anion effect on the structural diversity of three 1D coordination polymers based on a pyridyl diimide ligand","CrystEngComm","2012","14","6","2152","","10.1039/c2ce06147c","","","1.54178","CuKα","","0.0598","0.0564","","","0.1742","0.1789","","","","","","1.02","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207408","25.712","0.004","25.712","0.004","36.372","0.007","90","","90","","120","","20824","6","173","2","173","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C174 H168 Cl6 N18 Ni3 O27 -","- C174 H114 Cl6 N18 Ni3 O30 -","- C522 H342 Cl18 N54 Ni9 O90 -","3","0.0833333","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Bucky-blocks: templating a coordination network with C60","CrystEngComm","2012","14","5","1770","","10.1039/c2ce06156b","","","0.71073","MoKα","","0.1154","0.1143","","","0.3369","0.3381","","","","","","1.262","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207409","24.817","0.005","25.609","0.005","16.634","0.003","90","","90.25","0.03","90","","10571","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C382 H416 Cl42 N48 Ni8 O30 -","- C382 H356 Cl42 N48 Ni8 O30 -","- C382 H356 Cl42 N48 Ni8 O30 -","1","0.25","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Bucky-blocks: templating a coordination network with C60","CrystEngComm","2012","14","5","1770","","10.1039/c2ce06156b","","","0.71073","MoKα","","0.1186","0.0887","","","0.1981","0.2166","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207410","25.712","0.005","25.712","0.005","36.372","0.006","90","","90","","120","","20824","7","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C174 H114 Cl6 N18 Ni3 -","- C174 H114 Cl6 N18 Ni3 -","- C522 H342 Cl18 N54 Ni9 -","3","0.0833333","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Bucky-blocks: templating a coordination network with C60","CrystEngComm","2012","14","5","1770","","10.1039/c2ce06156b","","","0.71073","MoKα","","0.0689","0.0657","","","0.1807","0.1845","","","","","","1.159","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207411","10.185","0.005","10.983","0.005","14.243","0.005","88.775","0.005","72.634","0.005","75.77","0.005","1471.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Cd N4 O12 -","- C25 H22 Cd N4 O12 -","- C50 H44 Cd2 N8 O24 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.1532","0.0737","","","0.1161","0.1425","","","","","","0.947","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207412","17.518","0.005","17.907","0.005","18.204","0.005","90","0.005","111.876","0.005","90","0.005","5299","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N8 O17 Zn2 -","- C50 H43 N8 O17 Zn2 -","- C200 H172 N32 O68 Zn8 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.2063","0.0782","","","0.1399","0.1749","","","","","","1.144","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207413","20.322","0.005","7.679","0.005","16.703","0.005","90","0.005","90","0.005","90","0.005","2607","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H24 N4 O7 Zn -","- C26 H24 N4 O7 Zn -","- C104 H96 N16 O28 Zn4 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.0648","0.0461","","","0.116","0.1294","","","","","","1.03","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207414","9.6973","0.0006","11.1543","0.0007","11.5573","0.0007","92.228","0.005","94.339","0.005","95.885","0.005","1238.59","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Co N4 O7 -","- C26 H24 Co N4 O7 -","- C52 H48 Co2 N8 O14 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.0882","0.0582","","","0.1122","0.1319","","","","","","1.049","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207415","12.846","0.005","12.858","0.005","13.629","0.005","89.363","0.005","84.024","0.005","76.58","0.005","2177.6","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H55.5 Co N8 O13.75 -","- C38 H52 Co N8 O13.75 -","- C76 H104 Co2 N16 O27.5 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.156","0.0739","","","0.138","0.173","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207416","8.9508","0.0004","9.0335","0.0003","18.2518","0.0007","76.907","0.003","79.085","0.004","65.248","0.004","1297.89","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cu N4 O7 -","- C26 H24 Cu N4 O7 -","- C52 H48 Cu2 N8 O14 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.1229","0.073","","","0.1381","0.1602","","","","","","1.195","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207417","15.9321","0.0007","17.2033","0.0006","9.9871","0.0004","90","","90","","90","","2737.31","0.19","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H26 Cu N4 O7 -","- C27 H26 Cu N4 O7 -","- C108 H104 Cu4 N16 O28 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.1115","0.0646","","","0.1321","0.1587","","","","","","1.052","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207418","11.291","0.002","13.235","0.003","15.436","0.003","73.8","0.03","72.74","0.03","79.37","0.03","2102.3","0.9","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H94 Cu6 La4 N12 O65 -","- C42 H94 Cu6 La4 N12 O65 -","- C42 H94 Cu6 La4 N12 O65 -","1","0.5","","Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.","Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers","CrystEngComm","2012","14","5","1842","","10.1039/c2ce06180e","","","0.71073","MoKα","","0.061","0.0517","","","0.1474","0.1559","","","","","","1.116","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207419","11.19","0.002","13.181","0.003","15.356","0.003","73.7","0.03","72.87","0.03","79.78","0.03","2066.3","0.8","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H94 Cu6 N12 Nd4 O65 -","- C42 H94 Cu6 N12 Nd4 O65 -","- C42 H94 Cu6 N12 Nd4 O65 -","1","0.5","","Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.","Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers","CrystEngComm","2012","14","5","1842","","10.1039/c2ce06180e","","","0.71073","MoKα","","0.0518","0.0345","","","0.0832","0.0902","","","","","","1.044","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207420","11.0485","0.0003","13.1016","0.0003","15.4028","0.0003","73.203","0.002","72.574","0.002","79.917","0.002","2026.92","0.09","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H94 Cu6 Gd4 N12 O65 -","- C42 H94 Cu6 Gd4 N12 O65 -","- C42 H94 Cu6 Gd4 N12 O65 -","1","0.5","","Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.","Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers","CrystEngComm","2012","14","5","1842","","10.1039/c2ce06180e","","","0.71073","MoKα","","0.0569","0.036","","","0.0748","0.082","","","","","","1.063","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207421","25.054","0.002","13.2154","0.0009","17.3885","0.0013","90","","90","","90","","5757.3","0.7","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cl2 Cu N12 O10 -","- C16 H28 Cl2 Cu N12 O10 -","- C128 H224 Cl16 Cu8 N96 O80 -","8","0.25","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0713","0.0616","","","0.1807","0.1874","","","","","","1.073","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207422","9.1844","0.0007","13.1362","0.0014","8.2785","0.0007","90","","95.885","0.007","90","","993.52","0.16","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H12 Cl2 Cu N12 O8 -","- C10 H12 Cl2 Cu N12 O8 -","- C20 H24 Cl4 Cu2 N24 O16 -","2","0.25","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0563","0.0417","","","0.1021","0.1062","","","","","","1.048","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207423","14.198","0.0006","21.2033","0.0006","8.7574","0.0003","90","","90","","90","","2636.37","0.16","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C12 H22 Cl2 Cu N12 O11 -","- C12 H16 Cl2 Cu N12 O11 -","- C48 H64 Cl8 Cu4 N48 O44 -","4","0.5","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.086","0.0661","","","0.1854","0.2057","","","","","","1.072","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207424","18.2592","0.0006","12.6726","0.0004","12.0365","0.0005","90","","90","","90","","2785.14","0.17","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H27 Cl2 Cu N12 O11.5 -","- C14 H27 Cl2 Cu N12 O11.5 -","- C56 H108 Cl8 Cu4 N48 O46 -","4","1","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0386","0.0348","","","0.0954","0.0968","","","","","","1.108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207425","9.991","0.005","16.421","0.005","15.645","0.005","90","","108.492","0.005","90","","2434.2","1.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C112 H80 F24 N8 O8 -","8","2","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0663","0.0551","","","0.1276","0.13","","","","","","1.269","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207426","5.359","0.005","7.714","0.005","14.242","0.005","77.099","0.005","81.606","0.005","89.607","0.005","567.5","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C28 H20 F6 N2 O2 -","2","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.052","0.04","","","0.1037","0.1078","","","","","","1.093","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207427","9.052","0.005","9.052","0.005","15.156","0.005","90","","90","","90","","1241.9","1.1","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C56 H40 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0438","0.0334","","","0.0714","0.0742","","","","","","1.014","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207428","13.8471","0.0004","8.6097","0.0002","10.0943","0.0003","90","","100.131","0.003","90","","1184.67","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C56 H40 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0706","0.0492","","","0.1127","0.1297","","","","","","1.031","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207429","9.034","0.005","13.743","0.005","11.372","0.005","90","","90","","90","","1411.9","1.1","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0502","0.0399","","","0.1008","0.1047","","","","","","1.023","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207430","12.059","0.005","12.54","0.005","8.884","0.005","90","","91.804","0.005","90","","1342.8","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.1001","0.0539","","","0.1244","0.1371","","","","","","1.012","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207431","12.8346","0.0008","8.061","0.005","14.155","0.005","90","","108.35","0.005","90","","1390","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0976","0.0445","","","0.1031","0.1157","","","","","","0.976","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207432","25.559","0.005","11.622","0.005","9.509","0.005","90","","90","","90","","2825","2","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C120 H72 F48 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0783","0.0538","","","0.1461","0.1572","","","","","","1.1","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207433","5.2019","0.0003","14.3865","0.0007","18.1844","0.0009","90","","97.367","0.005","90","","1349.63","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0851","0.0568","","","0.1331","0.1504","","","","","","1.083","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207434","21.2145","0.0013","6.779","0.0003","9.7179","0.0005","90","","100.886","0.005","90","","1372.41","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","0.5","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.073","0.0481","","","0.1106","0.1282","","","","","","1.032","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207435","8.6642","0.0003","11.7031","0.0004","22.3567","0.0006","86.773","0.002","86.541","0.002","86.636","0.002","2255.73","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H56 B2 F4 N6 -","- C49 H56 B2 F4 N6 -","- C98 H112 B4 F8 N12 -","2","1","","Xi, He; Yuan, Chun-Xue; Li, Ye-Xin; Liu, Yang; Tao, Xu-Tang","Crystal structures and solid-state fluorescence of BODIPY dyes based on Λ-shaped Tröger's base","CrystEngComm","2012","14","6","2087","","10.1039/c2ce06260g","","","0.71073","MoKα","","0.0747","0.0424","","","0.107","0.1152","","","","","","0.954","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207436","13.734","0.002","14.564","0.002","21.08","0.003","90","","103.102","0.002","90","","4106.7","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 B2 F4 N6 -","- C41 H40 B2 F4 N6 -","- C164 H160 B8 F16 N24 -","4","1","","Xi, He; Yuan, Chun-Xue; Li, Ye-Xin; Liu, Yang; Tao, Xu-Tang","Crystal structures and solid-state fluorescence of BODIPY dyes based on Λ-shaped Tröger's base","CrystEngComm","2012","14","6","2087","","10.1039/c2ce06260g","","","0.71073","MoKα","","0.0917","0.0634","","","0.1863","0.1972","","","","","","1.101","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207437","9.9923","0.0009","39.407","0.004","14.7337","0.0014","90","","94.433","0.002","90","","5784.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H92 F2 N8 O7.5 -","- C52 H92 F2 N8 O7.52 -","- C208 H368 F8 N32 O30.08 -","4","1","","Dalapati, Sasanka; Akhtarul Alam, Md.; Saha, Rajat; Jana, Sankar; Guchhait, Nikhil","An efficient size-selective anion binding cleft-shaped receptor: A novel [F2(H2O)3]2− cluster with pseudo-encapsulated F− ion","CrystEngComm","2012","14","5","1527","","10.1039/c2ce06286k","","","0.71073","MoKα","","0.1355","0.106","","","0.2722","0.2911","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207438","11.499","0.005","11.793","0.005","12.374","0.005","94.564","0.007","101.799","0.007","105.126","0.007","1569.9","1.1","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULPHONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C26 H36.5 Cl0.5 O14 S -","- C26.125 H36.25 Cl0.25 O14 S -","- C52.25 H72.5 Cl0.5 O28 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.1169","0.0779","","","0.1893","0.2207","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207439","12.404","0.004","12.492","0.004","13.331","0.004","99.188","0.005","109.62","0.005","116.837","0.004","1612.7","0.9","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C28 H39 N O14.5 S -","- C28 H39 N O14.25 S -","- C56 H78 N2 O28.5 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0412","0.0398","","","0.1044","0.1061","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207440","12.401","0.004","12.587","0.004","13.25","0.004","98.697","0.005","108.729","0.005","117.919","0.004","1614.4","0.9","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C27 H39 N O16 S -","- C27 H39 N O16.125 S -","- C54 H78 N2 O32.25 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0836","0.0811","","","0.2324","0.2352","","","","","","1.091","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207441","13.597","0.004","14.351","0.004","17.818","0.005","90","","91.466","0.005","90","","3475.7","1.7","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2,3,4(6),5-O-PENTA ACETYL 6(4)-O-CAMPHORSULFONYL MYO-INOSITOL","","- C28.25 H40.5 O14.75 S -","- C28.25 H40.5 O14.755 S -","- C113 H162 O59.02 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0754","0.0631","","","0.1702","0.1845","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207442","13.857","0.003","14.298","0.003","17.717","0.004","90","","90.651","0.004","90","","3510","1.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C26.75 H36.75 Cl2.5 O14 S -","- C26.75 H36.75 Cl2.25 O14 S -","- C107 H147 Cl9 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0804","0.064","","","0.1726","0.1894","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207443","13.39","0.02","14.35","0.03","17.54","0.03","90","","91.55","0.02","90","","3369","10","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C28 H40 Cl2 O14 S -","- C28 H40 Cl2.005 O14 S -","- C112 H160 Cl8.02 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0684","0.0519","","","0.1233","0.1301","","","","","","0.982","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207444","13.463","0.002","14.451","0.003","17.848","0.003","90","","91.363","0.003","90","","3471.4","1.1","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C27 H38 Cl2 O14 S -","- C27 H38 Cl2 O14 S -","- C108 H152 Cl8 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C–H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0966","0.0785","","","0.2091","0.2286","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207445","19.885","0.004","4.208","0.0008","13.807","0.003","90","","100.83","0.03","90","","1134.7","0.4","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C21 H15 Cu2 I2 N4 S2 -","- C21 H13 Cu2 I2 N4 S2 -","- C42 H26 Cu4 I4 N8 S4 -","2","0.5","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0562","0.056","","","0.1272","0.1273","","","","","","1.025","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207446","7.6628","0.0015","8.355","0.0017","11.668","0.002","95.2","0.03","102.55","0.03","93.44","0.03","723.7","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Cu2 I2 N2 S -","- C11 H9 Cu2 I2 N2 S -","- C22 H18 Cu4 I4 N4 S2 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0399","0.0309","","","0.0734","0.0744","","","","","","1.026","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207447","10.357","0.002","11.51","0.002","13.13","0.003","93.44","0.03","102.57","0.03","97.87","0.03","1506.8","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Cu3 I3 N5 S2 -","- C25 H23 Cu3 I3 N5 S2 -","- C50 H46 Cu6 I6 N10 S4 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0525","0.0483","","","0.1305","0.1341","","","","","","1.082","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207448","7.7834","0.0016","9.768","0.002","11.779","0.002","110.16","0.03","91.73","0.03","109.35","0.03","782.6","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu I N3 S -","- C14 H14 Cu I N3 S -","- C28 H28 Cu2 I2 N6 S2 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0372","0.0306","","","0.0702","0.0709","","","","","","1.017","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207449","10.868","0.002","13.951","0.003","19.474","0.004","86.82","0.03","88.76","0.03","76.72","0.03","2869.1","1.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Cu2 I2 N4 S2 -","- C25 H24 Cu2 I2 N4 S2 -","- C100 H96 Cu8 I8 N16 S8 -","4","2","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0893","0.0648","","","0.1107","0.1219","","","","","","1.151","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207450","9.889","0.002","10.169","0.002","10.898","0.002","91.87","0.03","95.71","0.03","116.91","0.03","968.7","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cu2 I2 N3 S -","- C15 H16 Cu2 I2 N3 S -","- C30 H32 Cu4 I4 N6 S2 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0468","0.0331","","","0.0749","0.0784","","","","","","0.945","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207451","13.974","0.005","19.181","0.007","12.84","0.005","90","","117.009","0.003","90","","3066","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Co N2 O12 -","- C34 H28 Co N2 O12 -","- C136 H112 Co4 N8 O48 -","4","0.5","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.077","0.0493","","","0.0786","0.087","","","","","","0.998","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207452","18.101","0.004","15.391","0.004","16.678","0.004","90","","111.648","0.003","90","","4318.6","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 Cu N2 O4 -","- C23 H13 Cu N2 O4 -","- C184 H104 Cu8 N16 O32 -","8","1","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.1217","0.0772","","","0.1892","0.2194","","","","","","1.006","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207453","11.749","0.002","12.01","0.002","14.524","0.003","90","","99.314","0.002","90","","2022.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 Mn N2 O5 -","- C23 H15 Mn N2 O5 -","- C92 H60 Mn4 N8 O20 -","4","1","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.0699","0.0526","","","0.161","0.1735","","","","","","1.112","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207454","14.05","0.002","19.069","0.003","12.814","0.003","90","","117.154","0.001","90","","3054.7","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N2 Ni O12 -","- C34 H28 N2 Ni O12 -","- C136 H112 N8 Ni4 O48 -","4","0.5","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.081","0.0538","","","0.1137","0.1262","","","","","","1.002","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207455","22.908","0.003","14.679","0.003","18.591","0.004","90","","116.921","0.003","90","","5574.1","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H42 N4 O18 Zn3 -","- C68 H42 N4 O18 Zn3 -","- C272 H168 N16 O72 Zn12 -","4","0.5","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.0621","0.0506","","","0.1534","0.1628","","","","","","1.002","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207456","7.8961","0.0016","18.24","0.004","17.618","0.003","90","","96.23","0.03","90","","2522.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N12 Ni2 O13 -","- C54 H40 N12 Ni2 O13 -","- C108 H80 N24 Ni4 O26 -","2","0.5","","Liu, Yu; Li, Ning; Li, Le; Guo, Hui-Lin; Wang, Xiao-Fang; Li, Zuo-Xi","One-pot synthesis of two pillar-layer frameworks: coordination polymorphs deriving from different linking modes of 1,3,5-benzenetricarboxylate","CrystEngComm","2012","14","6","2080","","10.1039/c2ce06345j","","","0.71073","MoKα","","0.0657","0.0464","","","0.0886","0.0946","","","","","","1.106","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207457","10.047","0.002","12.658","0.003","13.494","0.003","86.56","0.03","71.43","0.03","72.16","0.03","1547.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H52 N12 Ni3 O19 -","- C55 H52 N12 Ni3 O19 -","- C55 H52 N12 Ni3 O19 -","1","0.5","","Liu, Yu; Li, Ning; Li, Le; Guo, Hui-Lin; Wang, Xiao-Fang; Li, Zuo-Xi","One-pot synthesis of two pillar-layer frameworks: coordination polymorphs deriving from different linking modes of 1,3,5-benzenetricarboxylate","CrystEngComm","2012","14","6","2080","","10.1039/c2ce06345j","","","0.71073","MoKα","","0.0737","0.0538","","","0.1273","0.1347","","","","","","1.103","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207458","23.567","0.0006","23.567","0.0006","46.997","0.002","90","","90","","90","","26102.3","1.5","123","0","123","0","","","","","","","","5","P 4/m c c","-P 4 2c","124","","","","- C54 H41 Cu6 N O36 -","- C54 H24 Cu6 N O35.75 -","- C432 H192 Cu48 N8 O286 -","8","0.5","","Li, Chuanqiang; Qiu, Wenge; Shi, Wei; Song, Haibin; Bai, Guangmei; He, Hong; Li, Jian; Zaworotko, Michael J.","A pcu-type metal‒organic framework based on covalently quadruple cross-linked supramolecular building blocks (SBBs): structure and adsorption properties","CrystEngComm","2012","14","6","1929","","10.1039/c2ce06384k","","","0.71073","MoKα","","0.0768","0.055","","","0.1588","0.1686","","","","","","0.537","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207459","9.47497","0.00016","10.17469","0.00014","14.53205","0.00025","90","","90","","90","","1400.96","0.04","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-Mandelsaeure-(R)-Prolinamid","(R)-Mandelsaeure-(R)-Prolinamid","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","","Bock, Dominique Anna; Lehmann, Christian W.","Chirality determination from X-ray powder data—diastereomeric co-crystals of mandelic acid and proline amide","CrystEngComm","2012","14","5","1534","","10.1039/c2ce06427h","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.365","","","","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207460","9.32239","0.00021","10.09939","0.00022","14.71604","0.00033","90","","90","","90","","1385.52","0.05","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Mandelsaeure-(R)-Prolinamid","(S)-Mandelsaeure-(R)-Prolinamid","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","","Bock, Dominique Anna; Lehmann, Christian W.","Chirality determination from X-ray powder data—diastereomeric co-crystals of mandelic acid and proline amide","CrystEngComm","2012","14","5","1534","","10.1039/c2ce06427h","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.444","","","","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207461","3.8288","0.0002","10.6688","0.0005","12.0072","0.0006","67.07","0.003","89.415","0.003","87.226","0.003","451.17","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Quinoline/fumaric acid (2:1)","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","1","0.5","","Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.","An experimental screen for quinoline/fumaric acid salts and co-crystals","CrystEngComm","2012","14","6","1967","","10.1039/c2ce06439a","","","0.71073","MoKα","","0.043","0.031","","","0.0747","0.0807","","","","","","1.034","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207462","3.8896","0.0002","19.6117","0.0013","13.0475","0.0008","90","","92.417","0.003","90","","994.4","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Methylquinoline/fumaric acid (2:1)","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C48 H44 N4 O8 -","2","0.5","","Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.","An experimental screen for quinoline/fumaric acid salts and co-crystals","CrystEngComm","2012","14","6","1967","","10.1039/c2ce06439a","","","0.71073","MoKα","","0.0571","0.0494","","","0.1291","0.1355","","","","","","1.137","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207463","3.8588","0.0002","19.5187","0.0011","13.072","0.0008","90","","92.465","0.003","90","","983.66","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","75% 6-Methylquinoline/fumaric acid (2:1) 25% Quinoline/fumaric acid (2:1)","","","- C23.5 H21 N2 O4 -","- C23.5 H21 N2 O4 -","- C47 H42 N4 O8 -","2","0.5","","Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.","An experimental screen for quinoline/fumaric acid salts and co-crystals","CrystEngComm","2012","14","6","1967","","10.1039/c2ce06439a","","","0.71073","MoKα","","0.0644","0.041","","","0.0921","0.1011","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207464","6.387","0.005","6.888","0.005","15.845","0.005","79.079","0.005","85.111","0.005","82.479","0.005","677.3","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 O5 P -","- C14 H13 O5 P -","- C28 H26 O10 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0701","0.0504","","","0.1278","0.1452","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207465","5.1625","0.0003","9.7839","0.0006","14.709","0.0013","90","","90.773","0.006","90","","742.87","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Cu O6 P -","- C14 H11 Cu O6 P -","- C28 H22 Cu2 O12 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0442","0.0394","","","0.0676","0.0709","","","","","","0.993","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207466","13.647","0.001","12.2255","0.0005","10.0282","0.0004","90","","97.675","0.005","90","","1658.13","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25.5 Cu5 O15 P2 -","- C28 H20 Cu5 O14.82 P2 -","- C56 H40 Cu10 O29.64 P4 -","2","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0917","0.06","","","0.1329","0.1539","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207467","15.076","0.005","10.156","0.005","19.074","0.005","90","0.005","99.099","0.005","90","0.005","2883.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O11 P2 Zn3 -","- C28 H20 O11 P2 Zn3 -","- C112 H80 O44 P8 Zn12 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0747","0.0468","","","0.091","0.1039","","","","","","1.031","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207468","10.5652","0.0002","17.5422","0.0004","25.6946","0.0006","90","","90","","90","","4762.16","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H40 N4 O12 P2 Zn3 -","- C52 H36 N4 O12 P2 Zn3 -","- C208 H144 N16 O48 P8 Zn12 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0446","0.0361","","","0.0674","0.0712","","","","","","1.042","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207469","10.151","0.005","9.687","0.005","29.778","0.005","90","0.005","90","0.005","90","0.005","2928","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cd3 O12 P2 -","- C28 H24 Cd3 O12 P2 -","- C112 H96 Cd12 O48 P8 -","4","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0323","0.028","","","0.0564","0.0585","","","","","","1.055","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207470","14.8874","0.0007","10.9755","0.0004","9.8754","0.0004","90","","93.096","0.004","90","","1611.25","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd2 O7.5 P -","- C14 H10 Cd2 O7.5 P -","- C56 H40 Cd8 O30 P4 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0524","0.0376","","","0.0777","0.0881","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207471","11.2243","0.0017","12.7247","0.0008","13.065","0.002","95.695","0.009","102.674","0.013","94.36","0.009","1802.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cd N4 O7.5 P -","- C38 H27 Cd N4 O7.519 P -","- C76 H54 Cd2 N8 O15.038 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0716","0.0497","","","0.107","0.1209","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207472","11.202","0.01","12.897","0.011","28.51","0.02","90","","90","","90","","4119","6","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C50 H80 Cu4 N14 O24 -","- C50 H80 Cu4 N14 O24 -","- C100 H160 Cu8 N28 O48 -","2","0.25","","Lou, Benyong; Wei, Yongqin; Lin, Qi","The dipeptide-based chiral binuclear complex capturing 4,4′-bipyridine to form a 3D supramolecular framework with a 1D channel","CrystEngComm","2012","14","6","2040","","10.1039/c2ce06486c","","","0.71073","MoKα","","0.091","0.0658","","","0.1647","0.1838","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207473","7.261","","10.749","","11.075","","68.967","0.007","77.087","0.008","76.293","0.008","774.63","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 Cu2 N6 O16 -","- C20 H44 Cu2 N6 O16 -","- C20 H44 Cu2 N6 O16 -","1","0.5","","Lou, Benyong; Wei, Yongqin; Lin, Qi","The dipeptide-based chiral binuclear complex capturing 4,4′-bipyridine to form a 3D supramolecular framework with a 1D channel","CrystEngComm","2012","14","6","2040","","10.1039/c2ce06486c","","","0.71073","MoKα","","0.0406","0.0372","","","0.1025","0.1057","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207474","8.007","0.0018","8.389","0.002","10.586","0.003","78.572","0.007","70.445","0.007","89.192","0.007","655.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(1,4-diammoniumbutane)tetrabromoplumbate(II)","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C8 H28 Br8 N4 Pb2 -","2","1","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0432","0.0346","","","0.0889","0.0918","","","","","","1.121","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207475","21.119","0.004","8.5018","0.0014","8.8936","0.0015","90","","103.648","0.003","90","","1551.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,4-diammonium)tetraiodoplumbate(II)","","- C4 H14 I4 N2 Pb -","- C4 H14 I4 N2 Pb -","- C16 H56 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0452","0.0394","","","0.0976","0.1003","","","","","","1.01","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207476","11.639","0.003","11.877","0.003","13.828","0.003","68.68","0.005","71.022","0.005","86.892","0.004","1679.5","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(1,7-diammoniumheptane)dodecaiodotriplumbate(II) diiodide","","- C28 H80 I14 N8 Pb3 -","- C28 H80 I14 N8 Pb3 -","- C28 H80 I14 N8 Pb3 -","1","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0474","0.0368","","","0.0906","0.0943","","","","","","1.07","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207477","13.815","0.003","8.3815","0.0015","9.0264","0.0016","90","","106.749","0.003","90","","1000.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,8-diammoniumoctane)tetraiodoplumbate(II)","","- C8 H22 I4 N2 Pb -","- C8 H22 I4 N2 Pb -","- C16 H44 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0616","0.0576","","","0.1372","0.1418","","","","","","1.102","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207478","14.651","0.006","7.926","0.003","8.455","0.003","90","","96.709","0.008","90","","975.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,10-diammoniumdecane)tetrabromoplumbate(II)","","- C10 H26 Br4 N2 Pb -","- C10 H26 Br4 N2 Pb -","- C20 H52 Br8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.065","0.0588","","","0.1597","0.1667","","","","","","1.119","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207479","15.8186","0.0008","8.4304","0.0004","8.8539","0.0004","90","","90.231","0.003","90","","1180.72","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,12-diammoniumdodecane)tetraiodoplumbate(II)","","- C12 H30 I4 N2 Pb -","- C12 H30 I4 N2 Pb -","- C24 H60 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0692","0.0577","","","0.1684","0.1842","","","","","","1.286","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207480","11.163","0.003","8.96","0.002","8.737","0.002","90","","90.314","0.004","90","","873.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,5-diammoniumnaphthalene)tetraiodoplumbate(II)","","- C10 H12 I4 N2 Pb -","- C10 H12 I4 N2 Pb -","- C20 H24 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0343","0.0326","","","0.0745","0.0758","","","","","","1.18","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207481","8.9023","0.0008","27.727","0.002","14.71","0.0012","90","","102.226","0.006","90","","3548.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis(1,2-diammoniumethane)nonabromodiplumbate(II) tribromide","","- C8 H40 Br12 N8 Pb2 -","- C8 H40 Br12 N8 Pb2 -","- C32 H160 Br48 N32 Pb8 -","4","1","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0862","0.061","","","0.1529","0.1649","","","","","","1.06","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207482","25.333","0.008","42.923","0.014","4.5149","0.0015","90","","90","","90","","4909","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","(4,4-methylenedianilinium)hexaiododiplumbate(II)","","- C13 H16 I6 N2 Pb2 -","- C13 H16 I6 N2 Pb2 -","- C104 H128 I48 N16 Pb16 -","8","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0315","0.0277","","","0.0625","0.0633","","","","","","1.033","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207483","6.7004","0.0007","8.2245","0.0008","15.4159","0.0015","90","","101","0.03","90","","833.92","0.17","190","0.2","190","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chloroform cyclobutanone co-crystal","trichloromethane cyclobutanone clathrate (1:1)","","- C5 H7 Cl3 O -","- C5 H7 Cl3 O -","- C20 H28 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.0417","0.0342","","","0.0955","0.1041","","","","","","1.075","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207484","10.3053","0.0012","20.118","0.002","5.5119","0.0004","90","","90","","90","","1142.74","0.19","180","0.2","180","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","dichloromethane cyclobutanone co-crystal","dichloromethane cyclobutanone clathrate (1:2)","","- C9 H14 Cl2 O2 -","- C9 H14 Cl2 O2 -","- C36 H56 Cl8 O8 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","","0.71073","MoKα","","0.0555","0.0325","","","0.073","0.0792","","","","","","1.072","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207485","6.2893","0.0006","7.8029","0.0009","10.3006","0.0013","103.76","0.01","103.15","0.01","98.4","0.01","467.28","0.1","180","0.2","180","0.2","","","","","","","","4","P -1","-P 1","2","dichloromethane cyclohexanone co-crystal","dichloromethane cyclohexanone clathrate (1:1)","","- C7 H12 Cl2 O -","- C7 H12 Cl2 O -","- C14 H24 Cl4 O2 -","2","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MoKα","K-L~3~","0.0453","0.0339","","","0.0912","0.0977","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207486","6.054","0.002","6.965","0.003","16.346","0.006","90","","95.86","0.03","90","","685.6","0.5","165","0.2","165","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","chloroform methylethylketone co-crystal","trichloromethane butanone-2 clathrate (2:1)","","- C6 H10 Cl6 O -","- C6 H10 Cl6 O -","- C12 H20 Cl12 O2 -","2","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.1068","0.0497","","","0.1044","0.1205","","","","","","0.957","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207487","8.5922","0.0011","12.7617","0.0018","7.6903","0.0009","90","","102.77","0.02","90","","822.4","0.2","160","0.2","160","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dichloromethane methylethylketone co-crystal","dichloromethane butanone-2 clathrate (1:1)","","- C5 H10 Cl2 O -","- C5 H10 Cl2 O -","- C20 H40 Cl8 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.0531","0.0303","","","0.0648","0.0696","","","","","","1.004","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207488","5.8895","0.0004","13.6031","0.001","10.0396","0.0008","90","","90.99","0.02","90","","804.21","0.1","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Chloroform aceton co-crystal","trichloromethane propanone-2 clathrate (1:1)","","- C4 H7 Cl3 O -","- C4 H7 Cl3 O -","- C16 H28 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MoKα","K-L~3~","0.0359","0.0289","","","0.0736","0.0772","","","","","","1.061","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207489","14.5833","0.0012","8.2213","0.0007","13.924","0.001","90","","117.21","0.01","90","","1484.7","0.2","200","0.2","200","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dichloromethane acetone co-crystal","dichloromethane propanone-2 clathrate (1:1)","","- C4 H8 Cl2 O -","- C4 H8 Cl2 O -","- C32 H64 Cl16 O8 -","8","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MoKα","K-L~3~","0.055","0.0418","","","0.1275","0.1394","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207490","5.9481","0.0005","9.3502","0.0008","12.1479","0.0011","90","","100.93","0.02","90","","663.36","0.11","200","0.2","200","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chloroform dioxane co-crystal","trichloromethane 1,4-dioxane (2:1)","","- C3 H5 Cl3 O -","- C3 H5 Cl3 O -","- C12 H20 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.0422","0.0364","","","0.0976","0.1043","","","","","","1.066","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207491","7.8287","0.0013","10.025","0.002","14.764","0.003","90","","90","","90","","1158.7","0.4","195","0.2","195","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dichloromethane dioxane co-crystal","dichloromethane 1,4-dioxane clathrate (2:1)","","- C6 H12 Cl4 O2 -","- C6 H12 Cl4 O2 -","- C24 H48 Cl16 O8 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","","0.71073","Mo-Kα","","0.0512","0.0326","","","0.0753","0.0848","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207492","23.76","0.005","39.331","0.008","40.61","0.009","90","","90","","90","","37950","14","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C60 H50 In2 N2 O17 -","- C60 H32 In2 N2 O17 -","- C960 H512 In32 N32 O272 -","16","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.18","0.0602","","","0.1754","0.2017","","","","","","0.78","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207493","23.088","0.003","39.262","0.005","41.133","0.005","90","","90","","90","","37286","8","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C56 H32 In2 O16 -","- C56 H32 In2 O16 -","- C896 H512 In32 O256 -","16","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.1483","0.0686","","","0.1946","0.2091","","","","","","0.822","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207494","12.251","0.003","18.631","0.004","20.976","0.004","90","0.03","90","0.03","90","0.03","4787.7","1.8","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H16 In N O8 -","- C32 H16 In N O8 -","- C128 H64 In4 N4 O32 -","4","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.0829","0.0754","","","0.2198","0.2276","","","","","","1.132","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207495","38.4167","0.0008","38.4167","0.0008","38.4167","0.0008","90","","90","","90","","56697","2","200","2","200","2","","","","","","","","9","F 2 3","F 2 2 3","196","","","","- C72 H89.33 Au4 Cl2 Co2 N4 O20.67 P4 S4 -","- C72 H84 Au4 Cl1.99933 Co2 N4 O20.6666 P4 S4 -","- C1728 H2016 Au96 Cl47.984 Co48 N96 O495.999 P96 S96 -","24","0.5","","Lee, Raeeun; Igashira-Kamiyama, Asako; Motoyoshi, Hiroki; Konno, Takumi","Aggregation of chiral hexanuclear complex-cations into cationic metallosupramolecules with concomitant aggregation of inorganic counter-anions into anionic clusters","CrystEngComm","2012","14","6","1936","","10.1039/c2ce06539h","","","0.71075","MoKα","","0.0664","0.0537","","","0.1341","0.1441","","","","","","0.976","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207496","38.0216","0.0006","38.0216","0.0006","38.0216","0.0006","90","","90","","90","","54965.6","1.5","200","2","200","2","","","","","","","","9","F 2 3","F 2 2 3","196","","","","- C72 H106 Au4 Cl2 Co2 N4 O19 P4 S4 -","- C72 H84 Au4 Cl2 Co2 N4 O19 P4 S4 -","- C1728 H2016 Au96 Cl48 Co48 N96 O456 P96 S96 -","24","0.5","","Lee, Raeeun; Igashira-Kamiyama, Asako; Motoyoshi, Hiroki; Konno, Takumi","Aggregation of chiral hexanuclear complex-cations into cationic metallosupramolecules with concomitant aggregation of inorganic counter-anions into anionic clusters","CrystEngComm","2012","14","6","1936","","10.1039/c2ce06539h","","","0.71075","MoKα","","0.0536","0.0468","","","0.1338","0.1392","","","","","","0.991","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207497","36.087","0.003","13.2881","0.001","19.2349","0.0014","90","","107.849","0.001","90","","8779.7","1.2","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H66 Cd23 Cl2 N176 O11 -","- C44 H42 Cd23 Cl2 N176 O11 -","- C88 H84 Cd46 Cl4 N352 O22 -","2","0.25","","Zhong, Di-Chang; Deng, Ji-Hua; Luo, Xu-Zhong; Lu, Tong-Bu; Wang, Ke-Jun","An unprecedented (4,10)-connected porous metal‒organic framework containing two rare large secondary building units (SBUs)","CrystEngComm","2012","14","5","1538","","10.1039/c2ce06555j","","","0.71073","MoKα","","0.0721","0.0466","","","0.1292","0.1428","","","","","","1.094","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207510","30.073","0.006","6.7129","0.0014","16.722","0.003","90","","104.76","0.03","90","","3264.4","1.2","100","2","100","2","","","","","","","Sigma Aldrich","5","C 1 2/c 1","-C 2yc","15","Ofloxcacin","","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.5608","AgKα","","0.0701","0.0346","","","","0.0344","","","","","","2.7286","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207511","8.2477","0.0006","21.6745","0.0017","9.5199","0.0007","90","","110.692","0.001","90","","1592","0.2","100","2","100","2","","","","","","","Sigma Aldrich","5","P 1 21/c 1","-P 2ybc","14","Norfloxacin","","","- C16 H22 F N3 O5 -","- C16 H22 F N3 O5 -","- C64 H88 F4 N12 O20 -","4","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.71073","MoKα","","0.0835","0.0311","","","","0.0261","","","","","","2.1753","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207512","4.26","0.0006","9.7217","0.0012","17.862","0.003","78.225","0.008","87.712","0.009","79.626","0.007","712.34","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Norfloxacin","","","- C16 H18 F N3 O3 -","- C16 H18 F N3 O3 -","- C32 H36 F2 N6 O6 -","2","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","1.54178","CuKα","","0.1326","0.1155","","","","0.1918","","","","","","1.5936","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207513","8.4124","0.0006","22.0645","0.0015","17.1587","0.0012","90","","100.896","0.001","90","","3127.5","0.4","100","2","100","","","","","","","","Sigma Aldrich","5","P 1 21/c 1","-P 2ybc","14","Enoxacin","","","- C15 H20.44 F N4 O4.72 -","- C15 H20.4366 F N4 O4.7183 -","- C120 H163.493 F8 N32 O37.7464 -","8","2","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.71073","MoKα","","0.0778","0.0273","","","","0.0172","","","","","","2.7767","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207514","5.2","0.001","39.96","0.008","9.38","0.0019","90","","90.55","0.03","90","","1949","0.7","100","2","100","2","","","","","","","Sigma Aldrich","6","P 1 21/c 1","-P 2ybc","14","Lomefloxacin","","","- C17 H24 Cl0.95 F2 N3 O5 -","- C17 H24 Cl0.9538 F2 N3 O5 -","- C68 H96 Cl3.8152 F8 N12 O20 -","4","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.8","synchrotron","","0.0737","0.0703","","","","0.1056","","","","","","3.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207515","5.9241","0.0001","9.4808","0.0002","18.5568","0.0004","90","","91.192","0.002","90","","1042.02","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","doxycycline monohydrate","6-Deoxy-5-oxytetracycline monohydrate","","- C22 H26 N2 O9 -","- C22 H26 N2 O9 -","- C44 H52 N4 O18 -","2","1","","Legendre, Alexandre O.; Silva, Laila R. R.; Silva, Douglas M.; Rosa, Iara M. L.; Azarias, Lilian C.; de Abreu, Polyana J.; de Araújo, Magali B.; Neves, Person P.; Torres, Claudia; Martins, Felipe T.; Doriguetto, Antonio C.","Solid state chemistry of the antibiotic doxycycline: structure of the neutral monohydrate and insights into its poor water solubility","CrystEngComm","2012","14","7","2532","","10.1039/c1ce06181j","","","0.71073","MoKα","","0.0413","0.0369","","","0.0918","0.0945","","","","","","1.051","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207516","6.2761","0.0006","22.345","0.002","6.8833","0.0007","90","","97.257","0.001","90","","957.58","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acetaminophen hydrochloride hydrate","","","- C8 H12 Cl N O3 -","- C8 H12 Cl N O3 -","- C32 H48 Cl4 N4 O12 -","4","1","","Perumalla, Sathyanarayana Reddy; Shi, Limin; Sun, Changquan Calvin","Ionized form of acetaminophen with improved compaction properties","CrystEngComm","2012","14","7","2389","","10.1039/c1ce06278f","","","0.71073","MoKα","","0.0306","0.0272","","","0.0734","0.076","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207517","6.4919","0.0006","6.1159","0.0006","16.87","0.0016","90","","90.032","0.001","90","","669.8","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-hydroxybenzenaminium chloride","","","- C6 H8 Cl N O -","- C6 H8 Cl N O -","- C24 H32 Cl4 N4 O4 -","4","1","","Perumalla, Sathyanarayana Reddy; Shi, Limin; Sun, Changquan Calvin","Ionized form of acetaminophen with improved compaction properties","CrystEngComm","2012","14","7","2389","","10.1039/c1ce06278f","","","0.71073","MoKα","","0.0228","0.0226","","","0.0658","0.066","","","","","","1.097","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207518","7.6205","0.0005","7.9261","0.0005","8.0664","0.0007","85.402","0.007","81.432","0.006","70.018","0.006","452.55","0.06","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H24 Mn2 O14 -","- C10 H24 Mn2 O14 -","- C10 H24 Mn2 O14 -","1","0.5","","Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K.","Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands","CrystEngComm","2012","14","8","2711","","10.1039/c2ce05947a","","x-ray","0.71073","MoKα","","0.0279","0.0265","","","0.0672","0.0687","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207519","9.0862","0.0005","10.7299","0.0005","19.5496","0.0007","89.452","0.003","87.337","0.004","80.347","0.004","1876.95","0.15","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H44 Co6 O31 -","- C22 H44 Co6 O31 -","- C44 H88 Co12 O62 -","2","1","","Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K.","Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands","CrystEngComm","2012","14","8","2711","","10.1039/c2ce05947a","","","0.71073","MoKα","","0.073","0.0386","","","0.0699","0.0865","","","","","","1.008","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207520","16.1859","0.0007","4.8014","0.0002","9.2596","0.0004","90","","90.191","0.004","90","","719.61","0.05","295","2","295","2","","","","","","","synthesis as described","4","P 1 2/c 1","-P 2yc","13","","","","- C6 H8 Co O4 -","- C6 H8 Co O4 -","- C24 H32 Co4 O16 -","4","1","","Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K.","Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands","CrystEngComm","2012","14","8","2711","","10.1039/c2ce05947a","","x-ray","0.71073","MoKα","","0.0939","0.083","","","0.2275","0.2361","","","","","","1.185","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207521","7.8814","0.0004","16.4329","0.0013","18.0521","0.0013","90","","90.406","0.004","90","","2337.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Cu2 N10 O12 -","- C42 H60 Cu2 N10 O12 -","- C84 H120 Cu4 N20 O24 -","2","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.1067","0.0639","","","0.1664","0.2061","","","","","","1.06","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207522","11.0014","0.0004","16.1868","0.0006","17.8272","0.0007","90","","106.526","0.002","90","","3043.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H80 Cu2 N10 O16 -","- C54 H72 Cu2 N10 O16 -","- C108 H144 Cu4 N20 O32 -","2","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.2395","0.0884","","","0.223","0.3108","","","","","","1.099","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207523","10.4604","0.0005","11.964","0.0007","16.1087","0.0008","78.673","0.003","72.493","0.003","64.513","0.003","1730.24","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H92 Cu2 N10 O16 -","- C66 H84 Cu2 N10 O16 -","- C66 H84 Cu2 N10 O16 -","1","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.1203","0.0616","","","0.1748","0.2233","","","","","","1.101","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207524","16.5171","0.0003","11.386","0.0003","17.9517","0.0005","90","","106.933","0.001","90","","3229.7","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H92 Cu2 N10 O24 -","- C54 H72 Cu2 N10 O24 -","- C108 H144 Cu4 N20 O48 -","2","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.1473","0.0878","","0.3174","0.2482","0.2434","","","1.086","1.177","1.177","1.075","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207525","6.4897","0.0014","19.302","0.005","12.454","0.002","90","","99.848","0.019","90","","1537.1","0.6","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","0.5","","Li, Ye-Xin; Jia, Jiong; Tao, Xu-Tang","Intramolecular H⋯H steric hindrance modulated aggregate packing and optoelectronic properties in 1-naphthyl, 9-anthryl end-capped styrylarylene derivatives","CrystEngComm","2012","14","8","2843","","10.1039/c2ce06190b","","","0.71073","MoKα","","0.2226","0.0748","","","0.1478","0.1887","","","","","","0.968","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207526","7.3324","0.0007","7.3383","0.0007","37.984","0.003","89.627","0.007","89.836","0.007","85.628","0.007","2037.8","0.3","293","2","293","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Li, Ye-Xin; Jia, Jiong; Tao, Xu-Tang","Intramolecular H⋯H steric hindrance modulated aggregate packing and optoelectronic properties in 1-naphthyl, 9-anthryl end-capped styrylarylene derivatives","CrystEngComm","2012","14","8","2843","","10.1039/c2ce06190b","","","1.5418","CuKα","","0.1443","0.0995","","","0.2777","0.361","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207527","18.9657","0.0019","10.8842","0.0011","11.7477","0.0012","90","","125.406","0.012","90","","1976.6","0.5","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[diaquabis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo- 4,5-dihydro-1H-pyrrol-2-olato-κ^2^N^3^:N^3'^)copper(II)] dihydrate]","","- C16 H10 Cu N8 O8 -","- C16 H10 Cu N8 O8 -","- C64 H40 Cu4 N32 O32 -","4","0.5","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0408","0.0372","","","0.1026","0.1054","","","","","","1.114","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207528","6.9985","0.0009","8.0047","0.0011","9.5314","0.0014","88.986","0.011","68.71","0.013","84.342","0.013","495","0.13","291","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II)","","- C16 H10 Cu N8 O8 -","- C16 H10 Cu N8 O8 -","- C16 H10 Cu N8 O8 -","1","0.5","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","0.71073","MoKα","","0.0755","0.0492","","","0.1044","0.1157","","","","","","1.041","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207529","5.4","0.002","8.849","0.003","11.531","0.005","88.24","0.02","77.28","0.02","82.33","0.03","532.7","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II) half-hydrate","","- C16 H10 Cu N8 O9 -","- C16 H10 Cu N8 O9 -","- C16 H10 Cu N8 O9 -","1","0.5","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0523","0.0494","","","0.1401","0.143","","","","","","1.091","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207530","6.753","0.001","11.707","0.002","14.382","0.002","103.56","0.01","97.73","0.01","101.01","0.01","1065.6","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II) hydrate","","- C16 H12 Cu N8 O9 -","- C16 H12 Cu N8 O9 -","- C32 H24 Cu2 N16 O18 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0922","0.0571","","","0.1331","0.1533","","","","","","1.029","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207531","5.3101","0.0007","15.741","0.001","8.506","0.0001","90","","105.2","0.01","90","","686.11","0.11","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diacetonitrile(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(I)","","- C12 H7 Cu N6 O2 -","- C12 H7 Cu N6 O2 -","- C24 H14 Cu2 N12 O4 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0338","0.0305","","","0.0836","0.0854","","","","","","1.066","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207532","7.378","0.002","8.246","0.003","9.217","0.002","84.82","0.02","74.28","0.02","88.3","0.02","537.6","0.3","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","acetonitrile(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(I)","","- C10 H4 Cu N5 O2 -","- C10 H4 Cu N5 O2 -","- C20 H8 Cu2 N10 O4 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","0.71073","MoKα","","0.054","0.0311","","","0.0792","0.0864","","","","","","1.027","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207533","5.8384","0.0002","9.1212","0.0003","22.1209","0.0007","90","","94.571","0.002","90","","1174.26","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C44 H48 N8 O20 -","4","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0868","0.0544","","","0.1335","0.1532","","","","","","1.032","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207534","11.4528","0.0005","6.3801","0.0003","17.643","0.001","90","","90.489","0.002","90","","1289.13","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O7 -","- C11 H11 N3 O7 -","- C44 H44 N12 O28 -","4","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0496","0.0384","","","0.0934","0.1007","","","","","","1.071","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207535","10.8821","0.0004","7.6597","0.0003","16.4743","0.0006","90","","103.612","0.003","90","","1334.62","0.09","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C52 H56 F12 N4 O12 -","4","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0581","0.0399","","","0.1076","0.1171","","","","","","1.066","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207536","6.6109","0.0001","6.9719","0.0002","13.9678","0.0003","93.855","0.001","97.257","0.001","101.429","0.001","623.14","0.02","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C24 H28 N4 O10 -","2","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0563","0.046","","","0.1197","0.1275","","","","","","1.061","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207537","7.4022","0.0001","13.3198","0.0003","15.1641","0.0003","109.418","0.001","93.784","0.001","104.67","0.001","1345.5","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 O7 -","- C12 H13 N3 O7 -","- C48 H52 N12 O28 -","4","2","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0804","0.0586","","","0.144","0.1599","","","","","","1.052","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207538","6.5358","0.0002","7.6095","0.0003","11.8452","0.0004","79.803","0.002","78.578","0.002","75.337","0.002","553.61","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C22 H22 N2 O12 -","2","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0933","0.0551","","","0.1244","0.1445","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207539","20.264","0.002","15.8241","0.0016","16.1914","0.0016","90","","113.573","0.003","90","","4758.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H20.5 N7 O7.25 Zn -","- C18 H15 N6 O2 Zn -","- C144 H120 N48 O16 Zn8 -","8","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.1165","0.0674","","","0.1466","0.167","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207540","31.7755","0.0007","31.7755","0.0007","16.0824","0.0005","90","","90","","90","","16238.1","0.7","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C51 H68 Co3 N24 O31 -","- C51 H42 Co3 N24 O31 -","- C408 H336 Co24 N192 O248 -","8","0.5","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1186","0.0736","","","0.2197","0.237","","","","","","1.011","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207541","35.5716","0.0007","34.6846","0.0007","37.7791","0.0008","90","","90","","90","","46611.4","1.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C204 H180 Cl14 Cu8 N72 O63 -","- C204 H170 Cl14 Cu8 N72 O63 -","- C1632 H1360 Cl112 Cu64 N576 O504 -","8","0.5","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1039","0.0772","","","0.2109","0.2266","","","","","","1.034","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207542","8.3699","0.0014","16.482","0.003","17.686","0.003","90","","90","","90","","2439.8","0.7","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C18 H20 Cd N7 O6 -","- C18 H15 Cd N6 O2 -","- C72 H60 Cd4 N24 O8 -","4","0.25","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.0551","0.0427","","","0.0953","0.1025","","","","","","1.008","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207543","16.2938","0.0004","19.3536","0.0004","38.9277","0.0009","90","","90","","90","","12275.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H57 Cd2 N22 O19.5 -","- C51 H58.5 Cd2 N22 O19.5 -","- C408 H468 Cd16 N176 O156 -","8","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1122","0.0985","","","0.2269","0.2321","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207544","19.756","0.003","16.208","0.002","19.19","0.003","90","","98.206","0.004","90","","6081.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H52 N22 O17 Zn2 -","- C51 H42 N22 O17 Zn2 -","- C204 H168 N88 O68 Zn8 -","4","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.1318","0.0975","","","0.2572","0.2825","","","","","","1.048","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207545","12.581","0.008","13.474","0.009","17.579","0.017","107.462","0.015","95.017","0.016","115.509","0.01","2483","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H98 As2 Cu9 N18 O81 W18 -","- C18 H72 As2 Cu9 N18 O81 W18 -","- C18 H72 As2 Cu9 N18 O81 W18 -","1","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Cai, Xiaomeng; Wang, Zhiqiao; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two organic‒inorganic hybrid 1-D and 3-D polyoxotungstates constructed from hexa-CuII substituted sandwich-type arsenotungstate units","CrystEngComm","2012","14","8","2797","","10.1039/c2ce06298d","","","0.71073","MoKα","","0.1071","0.0734","","","0.1816","0.198","","","","","","1.041","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207546","13.502","0.002","31.969","0.005","12.229","0.002","90","","113.405","0.003","90","","4844.3","1.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H92 As2 Cu9 N16 O74 W18 -","- C24 H80 As2 Cu9 N16 O74 W18 -","- C48 H160 As4 Cu18 N32 O148 W36 -","2","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Cai, Xiaomeng; Wang, Zhiqiao; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two organic‒inorganic hybrid 1-D and 3-D polyoxotungstates constructed from hexa-CuII substituted sandwich-type arsenotungstate units","CrystEngComm","2012","14","8","2797","","10.1039/c2ce06298d","","","0.71073","MoKα","","0.0565","0.0432","","","0.1022","0.1091","","","","","","1.037","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207547","5.706","0.0002","11.967","0.0005","8.3401","0.0004","90","","104.273","0.002","90","","551.91","0.04","298","2","298","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl) - (1H)-pyrimidin-2-one hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] -(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0438","0.0365","","","0.0896","0.0943","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207548","5.2927","0.0002","17.2524","0.0012","6.8518","0.0004","90","","98.865","0.003","90","","618.18","0.06","298","1","298","1","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl)- (1H)-pyrimidin-2-one hydrochloride monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride monohydrate","","- C8 H14 Cl N3 O4 S -","- C8 H14 Cl N3 O4 S -","- C16 H28 Cl2 N6 O8 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0528","0.0364","","","0.0754","0.0823","","","","","","1.039","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207549","5.652","0.0003","11.924","0.0006","8.322","0.0006","90","","104.76","0.003","90","","542.35","0.06","150","2","150","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl) - (1H)-pyrimidin-2-one hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] -(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0667","0.0497","","","0.114","0.1239","","","","","","0.994","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207550","5.2554","0.0001","17.1944","0.0006","6.821","0.0002","90","","98.774","0.002","90","","609.16","0.03","150","2","150","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl)- (1H)-pyrimidin-2-one hydrochloride monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride monohydrate","","- C8 H14 Cl N3 O4 S -","- C8 H14 Cl N3 O4 S -","- C16 H28 Cl2 N6 O8 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0529","0.05","","","0.1137","0.1166","","","","","","1.058","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207551","9.5767","0.0012","12.7646","0.0017","13.9388","0.0018","90","","90.758","0.002","90","","1703.8","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","(Antipyrine)(4-Aminobenzoic acid)","Antipyrine 4-Aminobenzoic acid (1/1)","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","2","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0731","0.0482","","","0.1071","0.1191","","","","","","1.016","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207552","15.557","0.002","17.056","0.003","19.782","0.003","80.658","0.005","78.559","0.007","77.168","0.006","4977.6","1.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2(Phenazine)(4-Aminobenzoic acid)","Phenazine 4-Aminobenzoic acid (2/1)","","- C31 H23 N5 O2 -","- C31 H23 N5 O2 -","- C248 H184 N40 O16 -","8","4","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.6889","Synchrotron","","0.0928","0.0709","","","0.1999","0.2304","","","","","","1.111","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207553","8.958","0.003","5.1788","0.0014","14.357","0.004","90","","106.109","0.004","90","","639.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(2,2'-Bipyridine)(Succinic acid)","2,2'-Bipyridine Succinic acid (1/1)","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","0.5","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0486","0.0391","","","0.0976","0.1017","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207554","14.654","0.004","5.554","0.0014","16.288","0.004","90","","90.471","0.004","90","","1325.6","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2(Diphenylcyclopropenone)(Succinic Acid)","Diphenylcyclopropenone Succinic acid (2/1)","","- C17 H13 O3 -","- C17 H13 O3 -","- C68 H52 O12 -","4","1","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0563","0.0474","","","0.1261","0.1333","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207555","9.916","0.007","9.185","0.006","11.738","0.007","90","","90","","90","","1069.1","1.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-butylidene-4-hydroxybenzohydrazide","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.1495","0.0578","","","0.0986","0.1221","","","","","","1.004","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207556","9.835","0.003","9.153","0.003","11.37","0.005","90","","90","","90","","1023.5","0.6","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0532","0.0462","","","0.1203","0.129","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207557","9.875","0.002","9.103","0.003","11.59","0.005","90","","90","","90","","1041.8","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0636","0.0424","","","0.0959","0.1073","","","","","","1.055","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207558","9.968","0.005","8.082","0.005","13.267","0.008","90","","90","","90","","1068.8","1.1","368","2","368","2","","","","","","","","4","P n a 21","P 2c -2n","33","N'-2-propylidene-4-hydroxybenzohydrazide","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0974","0.0642","","","0.1763","0.2047","","","","","","1.121","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207559","9.008","0.001","7.064","0.001","15.833","0.002","90","","90","","90","","1007.5","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0382","0.0313","","","0.089","0.0967","","","","","","0.91","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207560","9.157","0.004","7.196","0.003","15.566","0.006","90","","90","","90","","1025.7","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.049","0.037","","","0.0901","0.0974","","","","","","1.099","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207561","9.818","0.006","10.485","0.008","11.333","0.008","90","","90","","90","","1166.6","1.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-cyclohexylidene-4-hydroxybenzohydrazide'","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.1047","0.0535","","","0.1144","0.1382","","","","","","1.009","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207562","8.415","0.004","16.247","0.007","7.729","0.003","90","","112.6","0.03","90","","975.6","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N'-cyclobutylidene-4-hydroxybenzohydrazide'","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0571","0.043","","","0.106","0.1165","","","","","","1.109","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207563","7.4965","0.0002","11.4692","0.0004","12.3648","0.0005","68.093","0.002","88.655","0.002","81.853","0.002","975.89","0.06","293","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C40 H48 N4 O12 -","2","1","","Yang, Caiqin; Zhang, Zhenwei; Zeng, Yanli; Wang, Jing; Wang, Yongli; Ma, Baoqing","Structures and characterization of m-nisoldipine polymorphs","CrystEngComm","2012","14","7","2589","","10.1039/c2ce06359j","","","0.7107","MoKα","","0.1149","0.0676","","","0.1872","0.2265","","","","","","1.01","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207564","17.0708","0.0014","11.9644","0.001","11.0576","0.0009","90","","106.189","0.001","90","","2168.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Cl F N3 O -","- C23 H33 Cl F N3 O -","- C92 H132 Cl4 F4 N12 O4 -","4","1","","Maddileti, D.; Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Blonanserin HCl salt and its monohydrate","CrystEngComm","2012","14","7","2367","","10.1039/c2ce06367k","","","0.71073","MoKα","","0.0611","0.0499","","","0.1075","0.1136","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207565","7.485","0.01","8.578","0.009","16.794","0.018","82.718","0.017","85.478","0.017","84.883","0.011","1063","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 Cl F N3 -","- C23 H31 Cl F N3 -","- C46 H62 Cl2 F2 N6 -","2","1","","Maddileti, D.; Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Blonanserin HCl salt and its monohydrate","CrystEngComm","2012","14","7","2367","","10.1039/c2ce06367k","","","0.71073","MoKα","","0.1063","0.0741","","","0.1953","0.242","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207566","13.1622","0.0015","7.2427","0.0008","17.7408","0.0019","90","","103.584","0.002","90","","1643.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H13 Co N2 O5 -","- C18 H11 Co N2 O5 -","- C72 H44 Co4 N8 O20 -","4","1","","Liu, Bo; Miao, Hui; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent influences structural variation from a 3D 4-fold interpenetrated framework to a 2D layer-type porous coordination polymer: Structure analysis and highly selective gas adsorption properties","CrystEngComm","2012","14","8","2954","","10.1039/c2ce06372g","","","0.71073","MoKα","","0.0424","0.0353","","","0.0901","0.0942","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207567","17.795","0.002","14.8776","0.0019","16.052","0.002","90","","109.14","0.002","90","","4014.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Co N2 O7 -","- C18 H13 Co N2 O7 -","- C144 H104 Co8 N16 O56 -","8","1","","Liu, Bo; Miao, Hui; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent influences structural variation from a 3D 4-fold interpenetrated framework to a 2D layer-type porous coordination polymer: Structure analysis and highly selective gas adsorption properties","CrystEngComm","2012","14","8","2954","","10.1039/c2ce06372g","","","0.71073","MoKα","","0.0793","0.0611","","","0.1845","0.1984","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207568","7.883","0.002","8.697","0.003","12.506","0.004","90","","97.74","0.03","90","","849.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0435","0.0397","","","0.0942","0.0968","","","","","","1.114","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207569","8.1339","0.0003","8.7424","0.0004","12.4779","0.0005","90","","96.933","0.004","90","","880.81","0.06","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0447","0.0366","","","0.0897","0.0956","","","","","","1.052","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207570","6.971","0.006","19.508","0.017","7.26","0.006","90","","114.603","0.013","90","","897.7","1.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N3 O3 -","- C8 H10 N3 O3 -","- C32 H40 N12 O12 -","4","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0551","0.0486","","","0.1301","0.1356","","","","","","1.085","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207571","3.7408","0.0007","17.352","0.002","12.558","0.002","90","","95.76","0.016","90","","811","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0739","0.052","","","0.1146","0.1351","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207572","3.8701","0.0004","17.3536","0.0018","12.4978","0.0013","90","","95.859","0.002","90","","834.97","0.15","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N3 O3 -","- C7 H8 N3 O3 -","- C28 H32 N12 O12 -","4","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0502","0.0424","","","0.1038","0.1081","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207573","8.2124","0.0007","18.5162","0.0017","34.876","0.003","90","","90","","90","","5303.3","0.8","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dutasteride hemihydrate","","","- C54 H62 F12 N4 O5 -","- C54 H62 F12 N4 O5 -","- C216 H248 F48 N16 O20 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan","Resonance-assisted amide protonation in dutasteride hydrochloride salt","CrystEngComm","2012","14","7","2571","","10.1039/c2ce06421a","","","0.71073","MoKα","","0.0761","0.066","","","0.177","0.1893","","","","","","1.121","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207574","7.9357","0.0007","9.105","0.0008","11.1952","0.0009","73.746","0.001","88.687","0.001","86.193","0.001","774.85","0.11","294","2","294","2","","","","","","","","6","P 1","P 1","1","Dutasteride chloride hydrate ethanol solvate","","","- C29 H39 Cl F6 N2 O4 -","- C29 H39 Cl F6 N2 O4 -","- C29 H39 Cl F6 N2 O4 -","1","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan","Resonance-assisted amide protonation in dutasteride hydrochloride salt","CrystEngComm","2012","14","7","2571","","10.1039/c2ce06421a","","","0.71073","MoKα","","0.0479","0.0448","","","0.101","0.1031","","","","","","1.072","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207575","6.2064","0.0012","13.189","0.003","14.101","0.003","73.07","0.03","87.75","0.03","78.39","0.03","1081.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Ba O10.5 S -","- C14 H17.04 Ba O10.52 S -","- C28 H34.08 Ba2 O21.04 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0494","0.0398","","","0.114","0.1219","","","","","","1.004","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207576","6.3038","0.0003","12.8616","0.0007","13.8616","0.0008","77.467","0.002","86.23","0.002","84.291","0.002","1090.51","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 Ba O11 S -","- C17 H21 Ba O11 S -","- C34 H42 Ba2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0406","0.0395","","","0.1126","0.114","","","","","","1.003","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207577","6.3032","0.0007","13.0543","0.0014","13.9108","0.0015","76.742","0.001","86.683","0.001","83.306","0.001","1106","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H22 Ba N0 O11 S -","- C17.5 H22 Ba O11 S -","- C35 H44 Ba2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0246","0.0233","","","0.0703","0.0714","","","","","","0.994","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207578","6.3012","0.0005","14.0909","0.001","14.1544","0.001","113.043","0.001","91.63","0.001","93.08","0.001","1153.14","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Ba N O11 S -","- C19 H22 Ba N O11 S -","- C38 H44 Ba2 N2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0277","0.0256","","","0.0739","0.0756","","","","","","1.04","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207579","6.3003","0.0002","14.0098","0.0004","14.6389","0.0004","64.98","0.001","89.644","0.001","89.075","0.001","1170.71","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H21.5 Ba N O11 S -","- C16.5 H21.5 Ba N O11 S -","- C33 H43 Ba2 N2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0259","0.0244","","","0.0744","0.0758","","","","","","0.999","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207580","6.273","0.0013","13.638","0.003","14.194","0.003","70.26","0.03","89.06","0.03","80.07","0.03","1124.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18.5 Ba F O10.25 S -","- C17 H18.5 Ba F O10.25 S -","- C34 H37 Ba2 F2 O20.5 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0655","0.0607","","","0.2201","0.2543","","","","","","1.002","","","","has coordinates,has disorder","189142","2020-10-21","18:00:00",""
"7207581","6.317","0.002","14.13","0.005","14.147","0.005","112.859","0.004","91.748","0.004","91.742","0.004","1161.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Ba O13.5 S -","- C14 H23 Ba O13.5 S -","- C28 H46 Ba2 O27 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal–organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.058","0.0549","","","0.1632","0.1675","","","","","","0.997","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207582","8.7652","0.0012","26.451","0.002","14.962","0.0018","90","","100.861","0.009","90","","3406.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 N20 O26 Zn3 -","- C48 H66 N20 O26 Zn3 -","- C96 H132 N40 O52 Zn6 -","2","0.5","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.0745","0.0665","","","0.2114","0.2252","","","","","","1.004","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207583","16.1042","0.0016","9.2778","0.0006","21.079","0.002","90","","101.627","0.006","90","","3084.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Cd2 Cl4 N7 O2 -","- C24 H33 Cd2 Cl4 N7 O2 -","- C96 H132 Cd8 Cl16 N28 O8 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.0626","0.0457","","","0.1325","0.1505","","","","","","0.988","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207584","25.184","0.015","17.768","0.011","16.452","0.008","90","","114.83","0.03","90","","6681","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H39 Cd1.5 N10 O12 -","- C24 H33 Cd1.5 N10 O12 -","- C192 H264 Cd12 N80 O96 -","8","1","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.0995","0.0651","","","0.1648","0.1933","","","","","","1.096","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207585","9.1896","0.0008","14.2875","0.0013","27.356","0.002","90","","93.552","0.008","90","","3584.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H47 Cl3 Mn1.5 N7 O7 -","- C24 H33 Cl3 Mn1.5 N7 O7 -","- C96 H132 Cl12 Mn6 N28 O28 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.1099","0.077","","","0.2156","0.2457","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207586","9.7504","0.0001","9.7504","0.0001","21.2854","0.0015","90","","90","","120","","1752.5","0.13","123","2","123","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","catena-clambda-(triaqua-1.5(mu-dihydroxymalonato- kappaO,O'':O''',O'''')lanthanum(iii))","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')lanthanum(III)]","","- C9 H18 La2 O24 -","- C9 H18 La2 O24 -","- C27 H54 La6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0126","0.0125","","","0.0296","0.0297","","","","","","1.189","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207587","9.7193","0.0014","9.7193","0.0014","21.191","0.004","90","","90","","120","","1733.6","0.5","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')cerium(III)]","","- C9 H18 Ce2 O24 -","- C9 H18 Ce2 O24 -","- C27 H54 Ce6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","x-ray","0.71073","MoKα","","0.0133","0.0127","","","0.0358","0.0361","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207588","9.7612","0.0004","9.7612","0.0004","21.3097","0.0009","90","","90","","120","","1758.39","0.13","294","2","294","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')praseodymium(III)]","","- C9 H18 O24 Pr2 -","- C9 H18 O24 Pr2 -","- C27 H54 O72 Pr6 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0156","0.0145","","","0.0274","0.0276","","","","","","1.176","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207589","9.6974","0.0001","9.6974","0.0001","20.976","0.0005","90","","90","","120","","1708.3","0.05","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')neodymium(III)]","","- C9 H18 Nd2 O24 -","- C9 H18 Nd2 O24 -","- C27 H54 Nd6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.016","0.0146","","","0.0292","0.0296","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207590","9.6396","0.0008","9.6396","0.0008","20.7433","0.0016","90","","90","","120","","1669.3","0.2","294","2","294","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')gadolinium(III)]","","- C9 H18 Gd2 O24 -","- C9 H18 Gd2 O24 -","- C27 H54 Gd6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0187","0.0179","","","0.0391","0.0394","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207591","9.5813","0.0002","9.5813","0.0002","20.4715","0.0006","90","","90","","120","","1627.53","0.07","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Δ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')erbium(III)]","","- C9 H18 Er2 O24 -","- C9 H18 Er2 O24 -","- C27 H54 Er6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0133","0.0132","","","0.0357","0.0357","","","","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207592","9.5548","0.0001","9.5548","0.0001","20.4006","0.0004","90","","90","","120","","1612.93","0.04","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Δ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')ytterbium(III)]","","- C9 H18 O24 Yb2 -","- C9 H18 O24 Yb2 -","- C27 H54 O72 Yb6 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0137","0.0132","","","0.0366","0.0367","","","","","","1.276","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207593","6.80704","0.00007","20.73858","0.00018","6.449","0.00006","90","","76.4302","0.0005","90","","884.981","0.015","298","2","298","","","","","","","","","3","P 1 21 1","P 2yb","4","(7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-4(5)en-3- one","(7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-4(5)en-3-one","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Gomez, Ariel; Antonio, Selma Gutierrez; Barros de Araujo, Gabriel Lima; Ferreira, Fabio Furlan; Paiva-Santos, Carlos Oliveira","Crystal structure of isotibolone: a major degradation product of tibolone","CrystEngComm","2012","14","8","2826","","10.1039/c2ce06504e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.00847","0.01984","1.845","","","","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207594","6.6573","0.0013","8.1256","0.0014","18.128","0.003","95.391","0.01","97.999","0.012","104.439","0.014","931.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","242 (3-pyridyl)-CONH-N=CH-(2-pyridyl), hexanoic acid hydrate","","- C18 H24 N4 O4 -","- C18 H24 N4 O4 -","- C36 H48 N8 O8 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1249","0.063","","","0.1541","0.1825","","","","","","0.894","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207595","6.661","0.0008","8.4541","0.0011","19.684","0.002","99.459","0.008","94.349","0.009","107.887","0.008","1031.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF241 formylpyridine phenylhydrazone, octanoic acid, hydrate","","- C20 H28 N4 O4 -","- C20 H28 N4 O4 -","- C40 H56 N8 O8 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1322","0.0679","","","0.1609","0.1858","","","","","","0.847","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207596","6.6047","0.0008","8.0678","0.0009","15.3573","0.0018","98.182","0.006","101.688","0.008","104.436","0.009","759.84","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF363 [4-pyridyl-CONH-N=CH-2-pyridyl] adipic acid","","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.078","0.0589","","","0.1523","0.1713","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207597","6.6074","0.0006","8.1545","0.0007","15.8735","0.0014","81.488","0.006","83.679","0.006","75.024","0.007","814.8","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF357 [(3-pyridyl)-CONH-N=CH-(2-pyridyl)]2, octanedioic acid hydrate","","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1044","0.0541","","","0.13","0.1572","","","","","","0.934","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207598","6.5516","0.0004","8.1666","0.0005","33.7458","0.0019","94.293","0.003","93.041","0.003","105.225","0.003","1732.32","0.18","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","SF 356 (4-pyridyl)-CONH-N=CH-(2-pyridyl), decanedioic acid","","- C34 H42 N8 O8 -","- C34 H42 N8 O8 -","- C68 H84 N16 O16 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1133","0.0508","","","0.1141","0.1388","","","","","","1.013","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207599","8.8995","0.0002","14.6202","0.0004","14.0267","0.0003","90","","93.198","0.002","90","","1822.21","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C20 (4-pyridyl)-CONH-N=CH-(2-pyridyl), 4-aminobenzoic acid hydrate ?","","- C19 H19 N5 O4 -","- C19 H19 N5 O4 -","- C76 H76 N20 O16 -","4","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0673","0.042","","","0.0997","0.1129","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207600","6.6065","0.0014","7.2295","0.0017","21.354","0.004","92.457","0.013","97.668","0.014","116.706","0.015","896.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","SF228 (3-pyridyl)-CONH-N=CH-(2-pyridyl), 3-fluorobenzoic acid","","- C19 H17 F N4 O4 -","- C19 H17 F N4 O4 -","- C38 H34 F2 N8 O8 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.172","0.0624","","","0.1467","0.1947","","","","","","0.885","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207601","7.4376","0.0002","12.3798","0.0004","39.348","0.0011","90","","93.396","0.002","90","","3616.64","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SF355 4-pyridyl-CONH-N=CH-2-pyridyl, 2,4-difluorobenzoic acid hydrate","","- C19 H16 F2 N4 O4.1 -","- C19 H16 F2 N4 O4.1 -","- C152 H128 F16 N32 O32.8 -","8","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0713","0.054","","","0.1381","0.1528","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207602","6.5983","0.0013","7.2343","0.0014","19.755","0.004","81.922","0.011","84.772","0.014","80.711","0.016","919.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF229 (3-pyridyl)-CONH-N=CH-(2-pyridyl), 4-nitrobenzoic acid hydrate","","- C19 H17 N5 O6 -","- C19 H17 N5 O6 -","- C38 H34 N10 O12 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1363","0.0866","","","0.2181","0.2475","","","","","","0.924","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207603","4.8122","0.0003","8.8128","0.0005","11.0772","0.0006","75.874","0.003","80.095","0.003","76.225","0.003","439.22","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF41 4-pyridyl-CONH-N=CH-4-pyridyl, succinic acid dihydrate","","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0576","0.0491","","","0.1586","0.1659","","","","","","1.318","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207604","6.8908","0.0003","11.3841","0.0006","12.6504","0.0006","66.395","0.002","89.086","0.002","84.907","0.002","905.54","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF807 [(4-pyridyl)-CONH-N=CH-(4-pyridyl)], hexanedioic acid hydrate","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0848","0.055","","","0.1322","0.1458","","","","","","1.05","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207605","6.918","0.002","11.8","0.004","13.91","0.005","67.522","0.016","79.851","0.016","84.973","0.016","1032.6","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF40 4-pyridyl-CONH-N=CH-4-pyridyl, octanedioic acid hydrate","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C40 H52 N8 O12 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1177","0.0629","","","0.1621","0.2042","","","","","","1.024","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207606","7.363","0.004","12.292","0.006","12.305","0.006","118.571","0.008","90.144","0.009","98.023","0.008","965.4","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","nevirapine-glutaric acid 1:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido [3,2-b:2',3'-e]diazepin-6-one pentanedioic acid 1:1 co-crystal","","- C20 H22 N4 O5 -","- C20 H22 N4 O5 -","- C40 H44 N8 O10 -","2","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0537","0.0352","","","0.0798","0.0884","","","","","","1.007","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207607","7.4001","0.0005","10.4599","0.0007","23.2561","0.0016","90","","98.968","0.001","90","","1778.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nevirapine-maleic acid 1:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one (Z)-butenedioic acid 1:1 co-crystal","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0621","0.0413","","","0.0942","0.1035","","","","","","1.032","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207608","9.5649","0.0005","13.8069","0.0007","13.8726","0.0007","64.09","0.003","79.292","0.002","82.686","0.002","1616.98","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","nevirapine-saccharin 2:1 cocrystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one 1,2-benzoisothiazol-3(2H)-one 1,1-dioxide 1:1 co-crystal","","- C37 H33 N9 O5 S -","- C37 H33 N9 O5 S -","- C74 H66 N18 O10 S2 -","2","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0855","0.0459","","","0.1035","0.1206","","","","","","1.039","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207609","11.1549","0.0014","12.6194","0.0015","13.4644","0.0016","113.374","0.002","99.133","0.002","107.324","0.002","1575.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","nevirapine-salicylic acid 2:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one 2-hydroxybenzoic acid 2:1 co-crystal","","- C37 H34 N8 O5 -","- C37 H34 N8 O5 -","- C74 H68 N16 O10 -","2","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0899","0.0664","","","0.1851","0.2077","","","","","","1.042","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207610","9.877","0.002","19.286","0.004","9.6971","0.0019","90","","90.66","0.03","90","","1847.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nevirapine-rac-tartaric acid 1:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one rac-2,3-dihydroxybutanedioic acid 1:1 co-crystal","","- C19 H20 N4 O7 -","- C19 H20 N4 O7 -","- C76 H80 N16 O28 -","4","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0518","0.0355","","","0.0795","0.0876","","","","","","1.03","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207611","17.0461","0.0006","21.6229","0.0009","9.8505","0.0004","90","","90","","90","","3630.8","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H33 Br2 Cu6 N13 -","- C7 Br2 Cu6 N7 -","- C28 Br8 Cu24 N28 -","4","0.5","","Ding, Rui; Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Crystalline 3D open-framework halogeno(cyano)cuprates synthesized in ionic liquids","CrystEngComm","2012","14","8","2626","","10.1039/c2ce06508h","","","0.71073","MoKα","","0.086","0.0595","","","0.1401","0.1507","","","","","","1.01","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207612","7.0962","0.0002","12.4549","0.0007","13.158","0.0005","68.16","0.004","83.115","0.003","81.834","0.003","1065.68","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 Br2 Cu7 N14 -","- C8 Br2 Cu7 N8 -","- C8 Br2 Cu7 N8 -","1","0.5","","Ding, Rui; Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Crystalline 3D open-framework halogeno(cyano)cuprates synthesized in ionic liquids","CrystEngComm","2012","14","8","2626","","10.1039/c2ce06508h","","","0.71073","MoKα","","0.0735","0.0537","","","0.1558","0.1687","","","","","","1.007","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207613","8.2543","0.0011","12.6631","0.0016","14.1054","0.0018","99.035","0.002","98.947","0.002","95.887","0.002","1426.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Co N4 O6 -","- C29 H32 Co N4 O6 -","- C58 H64 Co2 N8 O12 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Wu, Tie; Wu, Jian","Control over multifarious entangled Co(ii) metal‒organic frameworks: role of steric bulk and molar ratio of organic ligands","CrystEngComm","2012","14","8","2906","","10.1039/c2ce06509f","","","0.71073","MoKα","","0.0604","0.0435","","","0.1306","0.1498","","","","","","0.851","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207614","9.866","0.006","11.392","0.007","11.936","0.007","63.328","0.008","79.908","0.008","88.633","0.008","1177.9","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Co N2 O8 -","- C22 H21 Co N2 O7.056 -","- C44 H42 Co2 N4 O14.112 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Wu, Tie; Wu, Jian","Control over multifarious entangled Co(ii) metal‒organic frameworks: role of steric bulk and molar ratio of organic ligands","CrystEngComm","2012","14","8","2906","","10.1039/c2ce06509f","","","0.71073","MoKα","","0.0682","0.0559","","","0.1721","0.1789","","","","","","1.177","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207615","9.352","0.0019","12.509","0.003","12.643","0.003","66.32","0.03","80.84","0.03","79.86","0.03","1326.9","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N4 O6 -","- C26 H28 Co N4 O6 -","- C52 H56 Co2 N8 O12 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Wu, Tie; Wu, Jian","Control over multifarious entangled Co(ii) metal‒organic frameworks: role of steric bulk and molar ratio of organic ligands","CrystEngComm","2012","14","8","2906","","10.1039/c2ce06509f","","","0.71073","MoKα","","0.0732","0.0609","","","0.1739","0.1883","","","","","","1.053","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207616","11.326","0.002","11.827","0.002","17.784","0.003","94.695","0.002","104.155","0.002","100.96","0.002","2247","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cd2 N12 O19 -","- C32 H50 Cd2 N12 O19 -","- C64 H100 Cd4 N24 O38 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0387","0.0291","","","0.0703","0.0764","","","","","","1.026","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207617","9.3161","0.0012","10.4338","0.0013","11.5703","0.0015","87.702","0.001","68.257","0.001","69.207","0.001","971.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C36 H40 Cd2 N8 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0278","0.025","","","0.0634","0.0652","","","","","","1.039","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207618","7.7344","0.0011","9.9796","0.0014","11.6303","0.0016","88.084","0.002","78.895","0.002","70.193","0.002","828.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cd N3 O8 -","- C13 H18 Cd N3 O8 -","- C26 H36 Cd2 N6 O16 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0359","0.0329","","","0.0895","0.0922","","","","","","1.073","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207619","10.3443","0.0014","10.6769","0.0014","11.0401","0.0015","81.775","0.002","66.024","0.001","70.742","0.001","1051.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cd N6 O6 -","- C16 H20 Cd N6 O6 -","- C32 H40 Cd2 N12 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0394","0.0306","","","0.0682","0.0714","","","","","","1.034","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207620","10.2191","0.0009","11.4377","0.0011","12.0542","0.0011","70.013","0.001","65.168","0.001","68.592","0.001","1160.43","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Cd N6 O6 -","- C19 H26 Cd N6 O6 -","- C38 H52 Cd2 N12 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0286","0.0257","","","0.0656","0.0674","","","","","","1.057","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207621","7.9338","0.0009","9.7756","0.0011","10.6865","0.0012","87.166","0.001","77.817","0.001","70.773","0.001","764.78","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cd N3 O6 -","- C13 H16 Cd N3 O6 -","- C26 H32 Cd2 N6 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0221","0.0195","","","0.0466","0.0478","","","","","","1.056","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207622","11.995","0.005","11.236","0.005","10.403","0.005","90","","99.09","0.007","90","","1384.5","1.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C56 H60 N4 O20 S4 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation–desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0517","0.0394","","","0.1009","0.1078","","","","","","1.067","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207623","11.3275","0.0012","20.489","0.002","7.8699","0.0008","90","","131.549","0.001","90","","1366.9","0.2","293","2","293","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C56 H60 N4 O20 S4 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation–desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0341","0.0326","","","0.0837","0.0851","","","","","","1.063","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207624","9.016","0.004","9.765","0.005","10.068","0.005","67.731","0.009","78.939","0.008","86.504","0.009","805","0.7","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H19 N O6 S -","- C16 H19 N O6 S -","- C32 H38 N2 O12 S2 -","2","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation–desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.1064","0.0549","","","0.1167","0.1296","","","","","","0.951","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207625","13.8424","0.0013","7.2425","0.0007","18.778","0.0018","90","","104.95","0.002","90","","1818.8","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O6 S2 -","- C16 H21 N O6 S2 -","- C64 H84 N4 O24 S8 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation–desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0482","0.0456","","","0.1266","0.1287","","","","","","1.124","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207626","7.865","0.0019","26.831","0.007","8.552","0.002","90","","90","","90","","1804.7","0.8","293","2","293","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C16 H21 N O6 S2 -","- C16 H21 N O6 S2 -","- C64 H84 N4 O24 S8 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation–desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0601","0.0393","","","0.0856","0.1045","","","","","","0.999","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207627","28.713","0.002","9.399","0.007","16.6487","0.0012","90","","126.015","0.009","90","","3634","3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O6 S2 -","- C16 H19 N O6 S2 -","- C128 H152 N8 O48 S16 -","8","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.2781","0.1572","","","0.388","0.5387","","","","","","1.068","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207628","9.227","","9.227","","43.99","0.003","90","","90","","90","","3745.2","0.3","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C11 H13 Br3 N2 O7 Pb -","- C11 H13 Br3 N2 O7 Pb -","- C88 H104 Br24 N16 O56 Pb8 -","8","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.0396","0.0341","","","0.0805","0.0826","","","","","","1.069","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207629","9.0731","0.0008","6.9348","0.0006","11.9935","0.0011","90","","95.716","0.001","90","","750.88","0.12","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H10 Br3 N O7 Pb -","- C9 H10 Br3 N O7 Pb -","- C18 H20 Br6 N2 O14 Pb2 -","2","0.5","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.028","0.0242","","","0.0586","0.0602","","","","","","1.079","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207630","7.5364","0.0006","9.2515","0.0007","12.6753","0.0009","70.76","0.001","73.909","0.001","66.4","0.001","753.76","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Br3 N O8 Pb -","- C8 H10 Br3 N O8 Pb -","- C16 H20 Br6 N2 O16 Pb2 -","2","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.0511","0.0467","","","0.1223","0.1355","","","","","","1.042","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207631","19.45","0.003","20.139","0.005","8.06","0.002","90","","110.07","0.03","90","","2965.4","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","","- C26 H38 N2 O9 Pb2 -","- C26 H36 N2 O9 Pb2 -","- C104 H144 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0538","0.0518","","","0.1435","0.1461","","","","","","1.107","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207632","18.479","0.004","22.36","0.005","8.248","0.0016","90","","100.64","0.03","90","","3349.4","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","","- C28 H40 N2 O9 Pb2 -","- C28 H38 N2 O9 Pb2 -","- C112 H152 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0325","0.0309","","","0.0835","0.0851","","","","","","1.075","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207633","18.037","0.004","22.43","0.005","8.139","0.0016","90","","100.63","0.03","90","","3236.3","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","","- C28 H40 N2 O9 Pb2 -","- C28 H38 N2 O9 Pb2 -","- C112 H152 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0514","0.0498","","","0.1322","0.1346","","","","","","1.04","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207634","20.3","0.004","20.143","0.004","8.147","0.0016","90","","109.71","0.03","90","","3136.2","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","","- C26 H38 N2 O9 Pb2 -","- C26 H36 N2 O9 Pb2 -","- C104 H144 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0382","0.0376","","","0.0938","0.0946","","","","","","1.072","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207635","9.4455","0.0003","7.8767","0.0002","17.2532","0.0005","90","","98.352","0.002","90","","1270.01","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil methylparaben","","","- C30 H27 N3 O7 -","- C30 H27 N3 O7 -","- C60 H54 N6 O14 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0393","0.0349","","","0.0864","0.0888","","","","","","1.034","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207636","9.3357","0.0002","8.3056","0.0002","17.3542","0.0005","90","","90.854","0.002","90","","1345.47","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil propylparaben","","","- C32 H31 N3 O7 -","- C32 H31 N3 O7 -","- C64 H62 N6 O14 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0478","0.041","","","0.0963","0.1002","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207637","9.5476","0.0012","8.1881","0.001","16.673","0.002","90","","96.305","0.009","90","","1295.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil hydrocinnamic acid","","","- C31 H29 N3 O6 -","- C31 H29 N3 O6 -","- C62 H58 N6 O12 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0514","0.042","","","0.0957","0.1007","","","","","","0.98","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207638","24.189","0.003","9.4989","0.001","17.9964","0.0019","90","","126.011","0.001","90","","3344.8","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N2 O5 Zn -","- C18 H15 N2 O5 Zn -","- C144 H120 N16 O40 Zn8 -","8","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0349","0.0261","","","0.0608","0.0651","","","","","","1.041","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207639","8.6436","0.0016","14.894","0.003","17.462","0.003","90","","90","","90","","2248","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H24 N4 O5 Zn -","- C21 H24 N4 O5 Zn -","- C84 H96 N16 O20 Zn4 -","4","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0785","0.0441","","","0.0906","0.1064","","","","","","1.043","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207640","8.3071","0.001","8.3924","0.0011","10.1349","0.0013","99.445","0.001","101.382","0.001","106.488","0.001","645.73","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N2 O5 Zn -","- C13 H11 N2 O5 Zn -","- C26 H22 N4 O10 Zn2 -","2","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0266","0.0235","","","0.0564","0.0578","","","","","","1.05","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207641","10.132","0.0017","10.4262","0.0017","11.8021","0.0019","72.703","0.002","82.516","0.002","64.173","0.002","1071.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 N12 O11 Zn2 -","- C42 H38 N12 O11 Zn2 -","- C42 H38 N12 O11 Zn2 -","1","0.5","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0603","0.0442","","","0.1136","0.1229","","","","","","1.07","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207642","10.203","0.005","14.382","0.008","14.783","0.008","89.622","0.007","77.435","0.007","87.157","0.007","2114.7","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 N8 O10 Zn2 -","- C46 H40 N8 O10 Zn2 -","- C92 H80 N16 O20 Zn4 -","2","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.1845","0.1035","","","0.2352","0.2821","","","","","","1.013","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207643","8.0419","0.0003","8.3021","0.0004","14.7143","0.0007","92.045","0.004","97.07","0.003","95.305","0.003","969.65","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Ag4 N6 O9 -","- C14 H14 Ag4 N6 O9 -","- C28 H28 Ag8 N12 O18 -","2","1","","Yeşilel, Okan Zafer; Günay, Güneş; Darcan, Cihan; Soylu, Mustafa Serkan; Keskin, Seda; Ng, Seik Weng","An unusual 3D metal‒organic framework, {[Ag4(μ4-pzdc)2(μ-en)2]·H2O}n: C‒H⋯Ag, N‒H⋯Ag and (O‒H)⋯Ag interactions and an unprecedented coordination mode for pyrazine-2,3-dicarboxylate","CrystEngComm","2012","14","8","2817","","10.1039/c2ce06603c","","","0.71073","MoKα","","0.0286","0.0251","","","0.0753","0.0782","","","","","","1.126","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207644","23.9938","0.0005","7.2021","0.0002","14.5155","0.0003","90","","90","","90","","2508.36","0.1","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C10 H30 Cu N26 O2 -","- C10 H30 Cu N26 O2 -","- C40 H120 Cu4 N104 O8 -","4","0.5","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.045","0.0317","","","0.0813","0.0908","","","","","","0.831","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207645","11.9182","0.0003","7.2555","0.0002","14.557","0.0004","90","","98.464","0.002","90","","1245.07","0.06","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H28 N26 Ni O2 -","- C10 H28 N26 Ni O2 -","- C20 H56 N52 Ni2 O4 -","2","0.5","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0348","0.0302","","","0.0802","0.0832","","","","","","1.074","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207646","7.9461","0.0006","8.2084","0.0006","12.887","0.001","77.665","0.005","74.131","0.004","71.317","0.004","758.55","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 Cu N14 O2 -","- C6 H18 Cu N14 O2 -","- C12 H36 Cu2 N28 O4 -","2","1","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0625","0.0447","","","0.1302","0.1416","","","","","","1.078","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207647","7.0326","0.0002","8.4673","0.0003","12.2837","0.0004","103.133","0.001","98.02","0.001","105.275","0.001","671.51","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H16 Cu N14 -","- C6 H16 Cu N14 -","- C12 H32 Cu2 N28 -","2","1","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0359","0.0304","","","0.0986","0.1031","","","","","","1.108","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207648","9.6939","0.001","14.8594","0.0015","16.3712","0.0016","106.433","0.005","105.99","0.005","102.997","0.004","2053.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H54 Co2 N42 O3 -","- C18 H54 Co2 N42 O3 -","- C36 H108 Co4 N84 O6 -","2","1","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0326","0.0273","","","0.072","0.0759","","","","","","1.037","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207649","6.2611","0.0013","6.4887","0.0013","12.483","0.003","90","","90","","90","","507.14","0.19","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C7 H12 Ag N5 S -","- C7 H12 Ag N5 S -","- C14 H24 Ag2 N10 S2 -","2","0.5","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.019","0.019","","","0.0534","0.0534","","","","","","1.139","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207650","10.505","0.002","7.7023","0.0015","16.84","0.003","90","","95","0.03","90","","1357.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Ag2 N6 S2 -","- C8 H12 Ag2 N6 S2 -","- C32 H48 Ag8 N24 S8 -","4","1","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.0253","0.0241","","","0.0681","0.069","","","","","","1.149","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207651","6.3439","0.0013","14.097","0.003","7.3832","0.0015","90","","97.69","0.03","90","","654.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H6 Ag N3 S -","- C4 H6 Ag N3 S -","- C16 H24 Ag4 N12 S4 -","4","1","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.0222","0.0212","","","0.0544","0.055","","","","","","1.116","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207652","45.797","0.002","5.4342","0.0003","17.5936","0.0009","90","","102.16","0.003","90","","4280.3","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 K N2 O8 S -","- C17 H25 K N2 O8 S -","- C136 H200 K8 N16 O64 S8 -","8","1","","Ong, Winston; Cheung, Eugene Y.; Schultz, Karen A.; Smith, Cartney; Bourassa, James; Hickey, Magali B.","Sodium and potassium salts of bumetanide trihydrate: Impact of counterion on structure, aqueous solubility and dehydration kinetics","CrystEngComm","2012","14","7","2428","","10.1039/c2ce06631a","","","0.71073","MoKα","","0.0477","0.036","","0.0788","0.0697","0.0788","","","","","","1.0355","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207653","11.7361","0.0006","11.1568","0.0009","10.1886","0.0006","90","","110.205","0.006","90","","1251.97","0.15","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1233","0.088","","","0.1612","0.174","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207654","16.7545","0.0015","9.866","0.0008","7.1799","0.0005","90","","90","","90","","1186.84","0.17","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","0.71073","MoKα","","0.078","0.0563","","","0.1149","0.1243","","","","","","1.05","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207655","14.5136","0.001","6.8344","0.0003","12.4979","0.0006","90","","104.762","0.006","90","","1198.77","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1035","0.064","","","0.126","0.1332","","","","","","1.106","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207656","12.6733","0.0011","20.6887","0.0019","10.2529","0.0007","90","","118.458","0.009","90","","2363.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","co-crystal phenobarbital + nembutal","","","- C23 H30 N4 O6 -","- C23 H24.94 N4 O6 -","- C92 H99.76 N16 O24 -","4","0.5","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1182","0.1026","","","0.1762","0.1813","","","","","","1.092","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207657","11.8675","0.001","21.824","0.003","10.2201","0.0009","90","","110.476","0.009","90","","2479.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nembutal, pentobarbital","","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C88 H144 N16 O24 -","8","2","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1538","0.0874","","","0.1315","0.1469","","","","","","1.078","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207658","14.583","0.002","27.006","0.004","23.412","0.004","90","","107.795","0.01","90","","8779","2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C92 H128 O15 -","- C92 H128 O15 -","- C368 H512 O60 -","4","1","","Gattuso, Giuseppe; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pilati, Tullio; Terraneo, Giancarlo","Picturing the induced fit of calix[5]arenes upon n-alkylammonium cation binding","CrystEngComm","2012","14","8","2621","","10.1039/c2ce06719f","","","0.71073","MoKα","","0.0731","0.0414","","","0.0973","0.107","","","","","","0.958","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207659","14.553","0.004","21.508","0.003","31.576","0.008","91.43","0.02","100.11","0.02","90.91","0.02","9725","4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H132 I3 N O15 -","- C89 H132 I3.00015 N O15 -","- C356 H528 I12.0006 N4 O60 -","4","2","","Gattuso, Giuseppe; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pilati, Tullio; Terraneo, Giancarlo","Picturing the induced fit of calix[5]arenes upon n-alkylammonium cation binding","CrystEngComm","2012","14","8","2621","","10.1039/c2ce06719f","","","0.71073","MoKα","","0.0985","0.0527","","","0.1249","0.1482","","","","","","1.009","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207660","8.1283","0.0005","13.8659","0.0007","14.9447","0.0008","90","","97.473","0.003","90","","1670.05","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Caffeine:2-iodo-4nitroaniline","","","- C14 H15 I N6 O4 -","- C14 H15 I N6 O4 -","- C56 H60 I4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure–mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0608","0.0443","","","0.1015","0.1111","","","","","","1.208","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207661","8.0323","0.0005","13.7265","0.0008","15.3774","0.0009","90","","93.548","0.001","90","","1692.19","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:4-iodo-3nitroaniline","","","- C14 H15 I N6 O4 -","- C14 H15 I N6 O4 -","- C56 H60 I4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure–mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0312","0.0256","","","0.0649","0.0687","","","","","","1.073","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207662","7.795","0.0006","13.5627","0.0009","14.992","0.001","90","","95.657","0.001","90","","1577.25","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:4-chloro-3nitroaniline","","","- C14 H15 Cl N6 O4 -","- C14 H15 Cl N6 O4 -","- C56 H60 Cl4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure–mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0355","0.033","","","0.0936","0.0969","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207663","15.8624","0.0019","13.5643","0.0015","7.336","0.0009","90","","90","","90","","1578.4","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Caffeine:4-fluoro-3nitroaniline","","","- C14 H15 F N6 O4 -","- C14 H15 F N6 O4 -","- C56 H60 F4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure–mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0568","0.0429","","","0.1106","0.1212","","","","","","1.08","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207664","13.585","0.0006","13.9085","0.0006","17.5266","0.0008","90","","104.892","0.001","90","","3200.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:2-chloro-5nitroaniline","","","- C14 H15 Cl N6 O4 -","- C14 H15 Cl N6 O4 -","- C112 H120 Cl8 N48 O32 -","8","2","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure–mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0335","0.0298","","","0.0805","0.0834","","","","","","1.067","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207665","10.5157","0.0007","10.7574","0.0007","13.6464","0.001","90","","100.179","0.001","90","","1519.41","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Caffeine:4nitroaniline","","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C56 H64 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure–mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0474","0.0401","","","0.1192","0.1286","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207666","8.5624","0.0004","11.8197","0.0006","18.7587","0.001","88.269","0.001","77.089","0.001","72.212","0.001","1760.53","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Caffeine:2,4dinitrobenzoicacid","","","- C15 H14 N6 O8 -","- C15 H14 N6 O8 -","- C60 H56 N24 O32 -","4","2","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure–mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0714","0.0558","","","0.1464","0.1665","","","","","","1.03","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207667","5.8784","0.0005","33.258","0.003","8.0008","0.0007","90","","92.806","0.002","90","","1562.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:2-fluoro-5nitroaniline","","","- C14 H15 F N6 O4 -","- C14 H15 F N6 O4 -","- C56 H60 F4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure–mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0673","0.0588","","","0.1406","0.1458","","","","","","1.134","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207668","12.5652","0.0006","8.1475","0.0004","16.5266","0.0008","90","","93.688","0.002","90","","1688.41","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:2-fluoro-5-nitrobenzoicacid","","","- C15 H14 F N5 O6 -","- C15 H14 F N5 O6 -","- C60 H56 F4 N20 O24 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure–mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0582","0.0457","","","0.1274","0.1417","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207669","10.416","0.002","11.022","0.002","11.536","0.002","114.31","0.03","92.94","0.03","115.71","0.03","1044","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(Co2(biphen)2(py)4).2EtOH","","","- C48 H48 Co2 N4 O6 -","- C48 H48 Co2 N4 O6 -","- C48 H48 Co2 N4 O6 -","1","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.0388","0.0347","","","0.0846","0.0875","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207670","11.119","0.002","12.486","0.003","13.342","0.003","111.49","0.03","113.74","0.03","95.46","0.03","1512.3","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","?[Co2(Biphen)2(3-pic)4].2(BiphenH2)","","","- C72 H64 Co2 N4 O8 -","- C72 H64 Co2 N4 O8 -","- C72 H64 Co2 N4 O8 -","1","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.0489","0.0337","","","0.0767","0.0811","","","","","","1.018","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207671","12.7876","0.0005","19.4297","0.0007","20.1892","0.0008","90","","103.649","0.004","90","","4874.5","0.3","149.9","","149.9","","","","","","","","Leigh F. Jones","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H87 Co8 N9 O18 -","- C104 H87 Co8 N9 O18 -","- C208 H174 Co16 N18 O36 -","2","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1285","0.0698","","0.0331","0.0232","0.0232","","","","","","1.1163","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207672","10.572","0.002","13.755","0.003","15.127","0.003","90","","94.03","0.03","90","","2194.3","0.8","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","(Co(L1H)(L2)2(NO3)).(L1H2)","","","- C50 H47 Co N5 O7 -","- C50 H47 Co N5 O7 -","- C100 H94 Co2 N10 O14 -","2","1","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1213","0.0736","","","0.1271","0.1542","","","","","","1.028","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207673","10.1508","0.0006","14.8829","0.0007","18.3001","0.0009","90","","101.469","0.005","90","","2709.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(biphenH)(t-bpe)1.5(NO3)]","","","- C60 H42 Co2 N8 O10 -","- C60 H42 Co2 N8 O10 -","- C120 H84 Co4 N16 O20 -","2","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1204","0.0695","","","0.1676","0.2023","","","","","","1.061","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207674","7.2188","0.0014","8.5282","0.0017","13.827","0.003","90.33","0.03","101.29","0.03","107.57","0.03","793.9","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","MOnohydrate of caffeine-4HBA (1:1)","MOnohydrate of caffeine-4HBA (1:1)","","- C15 H18 N4 O6 -","- C15 H18 N4 O6 -","- C30 H36 N8 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Co-crystals of caffeine and piracetam with 4-hydroxybenzoic acid: Unravelling the hidden hydrates of 1 : 1 co-crystals","CrystEngComm","2012","14","7","2381","","10.1039/c2ce25080b","","","0.71073","MoKα","","0.0658","0.0581","","","0.13","0.1365","","","","","","1.139","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207675","6.4211","0.0013","6.6058","0.0013","16.59","0.003","96.2","0.03","96.76","0.03","90.86","0.03","694.4","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Monohydrate of Piracetam-4-hydroxybenzoic acid (1:1)","Monohydrate of Piracetam-4-hydroxybenzoic acid (1:1)","","- C13 H18 N2 O6 -","- C13 H18 N2 O6 -","- C26 H36 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Co-crystals of caffeine and piracetam with 4-hydroxybenzoic acid: Unravelling the hidden hydrates of 1 : 1 co-crystals","CrystEngComm","2012","14","7","2381","","10.1039/c2ce25080b","","","0.71073","MoKα","","0.0445","0.0425","","","0.1102","0.1119","","","","","","1.088","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207676","9.119","0.007","10.382","0.008","15.374","0.011","105.468","0.009","95.318","0.009","100.648","0.01","1363.1","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O4 S -","- C32 H26 N2 O4 S -","- C64 H52 N4 O8 S2 -","2","1","","Cai, Minmin; Gao, Zhiqiang; Zhou, Xinhui; Wang, Xupeng; Chen, Shufen; Zhao, Yuezhi; Qian, Yan; Shi, Naien; Mi, Baoxiu; Xie, Linghai; Huang, Wei","A small change in molecular structure, a big difference in the AIEE mechanism.","Physical chemistry chemical physics : PCCP","2012","14","15","5289","5296","10.1039/c2cp23040b","","","0.71073","MoKα","","0.0513","0.0414","","","0.115","0.1219","","","","","","1.063","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207677","7.4253","0.0004","18.6837","0.0011","7.9579","0.0005","90","","96.325","0.006","90","","1097.3","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 B F2 N5 -","- C23 H26 B F2 N5 -","- C46 H52 B2 F4 N10 -","2","1","","Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W.","Exploring Förster electronic energy transfer in a decoupled anthracenyl-based borondipyrromethene (bodipy) dyad.","Physical chemistry chemical physics : PCCP","2012","14","13","4447","4456","10.1039/c2cp23868c","","","0.71073","MoKα","","0.0896","0.0455","","","0.0973","0.1053","","","","","","0.873","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207678","11.893","0.0003","15.14","0.0003","17.8155","0.0004","90","","93.888","0.002","90","","3200.48","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 B F2 N5 -","- C39 H36 B F2 N5 -","- C156 H144 B4 F8 N20 -","4","1","","Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W.","Exploring Förster electronic energy transfer in a decoupled anthracenyl-based borondipyrromethene (bodipy) dyad.","Physical chemistry chemical physics : PCCP","2012","14","13","4447","4456","10.1039/c2cp23868c","","","1.54184","CuKα","","0.0505","0.043","","","0.1157","0.1211","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207679","15.67","0.007","8.175","0.01","18.648","0.007","90","","110.21","0.05","90","","2242","3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H32 Fe2 N16 O2 S4 -","- C76 H64 Fe4 N32 O4 S8 -","2","0.5","","Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor","High-pressure spin-crossover in a dinuclear Fe(ii) complex.","Physical chemistry chemical physics : PCCP","2012","14","15","5265","5271","10.1039/c2cp23940j","","","0.71073","MoKα","","0.1461","0.0966","","","0.2391","0.2896","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207680","15.409","0.011","8.078","0.007","18.56","0.03","90","","110.54","0.13","90","","2163","5","295","2","295","2","","","250000","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H32 Fe2 N16 O2 S4 -","- C76 H64 Fe4 N32 O4 S8 -","2","0.5","","Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor","High-pressure spin-crossover in a dinuclear Fe(ii) complex.","Physical chemistry chemical physics : PCCP","2012","14","15","5265","5271","10.1039/c2cp23940j","","","0.71073","MoKα","","0.1439","0.0966","","","0.2305","0.2682","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207681","15.186","0.019","7.967","0.003","18.57","0.03","90","","111.53","0.18","90","","2090","5","295","2","295","2","","","600000","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H32 Fe2 N16 O2 S4 -","- C76 H64 Fe4 N32 O4 S8 -","2","0.5","","Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor","High-pressure spin-crossover in a dinuclear Fe(ii) complex.","Physical chemistry chemical physics : PCCP","2012","14","15","5265","5271","10.1039/c2cp23940j","","","0.71073","MoKα","","0.1389","0.0886","","","0.2014","0.2592","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207682","14.925","0.009","7.861","0.005","18.28","0.02","90","","111.02","0.1","90","","2002","3","295","2","295","2","","","900000","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H32 Fe2 N16 O2 S4 -","- C76 H64 Fe4 N32 O4 S8 -","2","0.5","","Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor","High-pressure spin-crossover in a dinuclear Fe(ii) complex.","Physical chemistry chemical physics : PCCP","2012","14","15","5265","5271","10.1039/c2cp23940j","","","0.71073","MoKα","","0.1444","0.1016","","","0.2263","0.2583","","","","","","1.134","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207683","14.849","0.006","7.823","0.004","18.233","0.016","90","","111.47","0.07","90","","1971","2","295","2","295","2","","","1300000","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H32 Fe2 N16 O2 S4 -","- C76 H64 Fe4 N32 O4 S8 -","2","0.5","","Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor","High-pressure spin-crossover in a dinuclear Fe(ii) complex.","Physical chemistry chemical physics : PCCP","2012","14","15","5265","5271","10.1039/c2cp23940j","","","0.71073","MoKα","","0.1959","0.1092","","","0.2122","0.2694","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207684","14.8","0.02","7.69","0.02","18.15","0.11","91","0.5","112","0.4","89.4","0.2","1915","14","295","2","295","2","","","1600000","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Fe2 N16 O2 S4 -","- C38 H32 Fe2 N16 O2 S4 -","- C76 H64 Fe4 N32 O4 S8 -","2","0.5","","Shepherd, Helena J.; Rosa, Patrick; Vendier, Laure; Casati, Nicola; Létard, Jean-François; Bousseksou, Azzedine; Guionneau, Philippe; Molnár, Gábor","High-pressure spin-crossover in a dinuclear Fe(ii) complex.","Physical chemistry chemical physics : PCCP","2012","14","15","5265","5271","10.1039/c2cp23940j","","","0.71073","MoKα","","0.1689","0.118","","","0.2964","0.3419","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207685","10.544","0.003","15.291","0.004","15.387","0.004","64.648","0.003","74.579","0.003","83.447","0.003","2161.2","1","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 N4 O4 -","- C56 H42 N4 O4 -","- C112 H84 N8 O8 -","2","1","","Hatano, Sayaka; Abe, Jiro","A peroxide-bridged imidazole dimer formed from a photochromic naphthalene-bridged imidazole dimer.","Physical chemistry chemical physics : PCCP","2012","14","16","5855","5860","10.1039/c2cp40239d","","","0.71073","MoKα","","0.0612","0.0438","","","0.1035","0.1124","","","","","","1.024","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207686","10.462","0.009","10.806","0.009","17.637","0.015","86.158","0.011","74.173","0.013","73.868","0.012","1843","3","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H34 N4 O2 -","- C52 H34 N4 O2 -","- C104 H68 N8 O4 -","2","1","","Hatano, Sayaka; Abe, Jiro","A peroxide-bridged imidazole dimer formed from a photochromic naphthalene-bridged imidazole dimer.","Physical chemistry chemical physics : PCCP","2012","14","16","5855","5860","10.1039/c2cp40239d","","","0.71073","MoKα","","0.1479","0.0917","","","0.2496","0.274","","","","","","1.044","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207687","35.463","0.003","35.463","0.003","7.8005","0.0009","90","","90","","120","","8495.8","1.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H28 N4 O5 Si -","- C15 H28 N4 O5 Si -","- C270 H504 N72 O90 Si18 -","18","1","","Creff, Gaëlle; Arrachart, Guilhem; Hermet, Patrick; Wadepohl, Hubert; Almairac, Robert; Maurin, David; Sauvajol, Jean-Louis; Carcel, Carole; Moreau, Joël J E; Dieudonné, Philippe; Man, Michel Wong Chi; Bantignies, Jean-Louis","Investigation on the vibrational and structural properties of a self-structured bridged silsesquioxane.","Physical chemistry chemical physics : PCCP","2012","14","16","5672","5679","10.1039/c2cp40250e","","x-ray","0.71073","MoKα","","0.3174","0.2631","","","0.6365","0.6768","","","","","","2.928","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207688","35.463","0.003","35.463","0.003","7.8005","0.0009","90","","90","","120","","8495.8","1.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H28 N4 O5 Si -","- C7 H9 N4 O2 -","- C126 H162 N72 O36 -","18","1","","Creff, Gaëlle; Arrachart, Guilhem; Hermet, Patrick; Wadepohl, Hubert; Almairac, Robert; Maurin, David; Sauvajol, Jean-Louis; Carcel, Carole; Moreau, Joël J E; Dieudonné, Philippe; Man, Michel Wong Chi; Bantignies, Jean-Louis","Investigation on the vibrational and structural properties of a self-structured bridged silsesquioxane.","Physical chemistry chemical physics : PCCP","2012","14","16","5672","5679","10.1039/c2cp40250e","","x-ray","0.71073","MoKα","","0.1664","0.1302","","","0.3633","0.3893","","","","","","1.305","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207689","7.3224","0.0009","10.0224","0.0012","16.631","0.002","102.112","0.005","92.853","0.006","91.309","0.006","1191.2","0.3","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C9 H34 N3 Na2 O18 P -","- C9 H34 N3 Na2 O18 P -","- C18 H68 N6 Na4 O36 P2 -","2","2","","Perras, Frédéric A; Korobkov, Ilia; Bryce, David L.","(23)Na double-rotation NMR of sodium nucleotides leads to the discovery of a new dCMP hendecahydrate.","Physical chemistry chemical physics : PCCP","2012","14","14","4677","4681","10.1039/c2cp40273d","","","0.71073","MoKα","","0.0632","0.0568","","","0.1482","0.1544","","","","","","1.061","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7207690","10.3969","0.0004","10.3969","0.0004","28.4886","0.0015","90","","90","","120","","2666.9","0.2","180","2","180","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C15 H33 N3 -","- C15 H33 N3 -","- C90 H198 N18 -","6","0.333333","","Mercer, Sean M.; Robert, Tobias; Dixon, Daniel V.; Chen, Chien-Shun; Ghoshouni, Zahra; Harjani, Jitendra R.; Jahangiri, Soran; Peslherbe, Gilles H.; Jessop, Philip G.","Design, synthesis, and solution behaviour of small polyamines as switchable water additives","Green Chemistry","2012","14","3","832","","10.1039/c2gc16240g","","","0.71073","MoKα","","0.0636","0.0482","","","0.1314","0.1464","","","","","","1.053","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207691","8.096","0.003","8.432","0.003","14.387","0.006","85.32","0.018","88.539","0.019","62.728","0.01","870","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O3 S -","- C20 H18 N2 O3 S -","- C40 H36 N4 O6 S2 -","2","1","","Wen, Li-Rong; Li, Zhao-Rui; Li, Ming; Cao, Han","Solvent-free and efficient synthesis of imidazo[1,2-a]pyridine derivatives via a one-pot three-component reaction","Green Chemistry","2012","14","3","707","","10.1039/c2gc16388h","","","0.71073","MoKα","","0.0546","0.0496","","","0.1179","0.1218","","","","","","1.095","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207692","10.4","0.001","12.165","0.0015","15.37","0.002","90","","90","","90","","1944.6","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[cyclopentane-1,2'(1'<i>H</i>)-pyrido[2,3-<i>d</i>]pyrimidin]- 4'(3'<i>H</i>)-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","1","","Yang, Liupan; Shi, Daxin; Chen, Shu; Chai, Hongxin; Huang, Danfei; Zhang, Qi; Li, Jiarong","Microwave-assisted synthesis of 2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-ones catalyzed by DBU in aqueous medium","Green Chemistry","2012","14","4","945","","10.1039/c2gc16469h","","","0.71075","MoKα","","0.0427","0.0395","","","0.0999","0.1026","","","","","","1.049","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207693","10.591","0.003","12.359","0.003","9.116","0.003","90","","97.951","0.004","90","","1181.8","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br N3 O -","- C12 H14 Br N3 O -","- C48 H56 Br4 N12 O4 -","4","1","","Yang, Liupan; Shi, Daxin; Chen, Shu; Chai, Hongxin; Huang, Danfei; Zhang, Qi; Li, Jiarong","Microwave-assisted synthesis of 2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-ones catalyzed by DBU in aqueous medium","Green Chemistry","2012","14","4","945","","10.1039/c2gc16469h","","","0.71073","MoKα","","0.0555","0.0345","","","0.0685","0.0739","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7207694","8.355","0.002","10.746","0.003","12.843","0.004","98.611","0.002","99.924","0.003","110.707","0.003","1034.3","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 Cl N3 O2 -","- C23 H28 Cl N3 O2 -","- C46 H56 Cl2 N6 O4 -","2","1","","Yang, Liupan; Shi, Daxin; Chen, Shu; Chai, Hongxin; Huang, Danfei; Zhang, Qi; Li, Jiarong","Microwave-assisted synthesis of 2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-ones catalyzed by DBU in aqueous medium","Green Chemistry","2012","14","4","945","","10.1039/c2gc16469h","","","0.71073","MoKα","","0.0662","0.0464","","","0.1083","0.116","","","","","","1.001","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207695","9.8188","0.0002","15.916","0.0003","13.4755","0.0003","90","","100.875","0.002","90","","2068.08","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Cl N2 O2 -","- C26 H17 Cl N2 O2 -","- C104 H68 Cl4 N8 O8 -","4","1","","Gunasekaran, Pethaiah; Balamurugan, Kamaraj; Sivakumar, Sathiyamoorthi; Perumal, Subbu; Menéndez, J. Carlos; Almansour, Abdulrahman I.","Domino reactions in water: diastereoselective synthesis of densely functionalized indolyldihydrofuran derivatives","Green Chemistry","2012","14","3","750","","10.1039/c2gc16517a","","","0.71073","MoKα","","0.0557","0.0451","","","0.1469","0.1598","","","","","","1.254","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207696","8.715","0.004","11.09","0.004","13.771","0.007","90","","90.303","0.006","90","","1330.9","1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Jida, Mouhamad; Soueidan, Olivier-Mohamad; Deprez, Benoit; Laconde, Guillaume; Deprez-Poulain, Rebecca","Racemic and diastereoselective construction of indole alkaloids under solvent- and catalyst-free microwave-assisted Pictet–Spengler condensation","Green Chemistry","2012","14","4","909","","10.1039/c2gc16596a","","","0.71073","MoKα","","0.113","0.0718","","0.1143","0.0602","0.0447","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207697","11.814","0.0005","21.2181","0.0011","14.6684","0.0006","90","","95.337","0.004","90","","3661","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 Br2 N2 O -","- C40 H58 Br2 N2 O -","- C160 H232 Br8 N8 O4 -","4","1","","Doherty, Simon; Knight, Julian G.; Ellison, Jack R.; Weekes, David; Harrington, Ross W.; Hardacre, Christopher; Manyar, Haresh","An efficient recyclable peroxometalate-based polymer-immobilised ionic liquid phase (PIILP) catalyst for hydrogen peroxide-mediated oxidation","Green Chemistry","2012","14","4","925","","10.1039/c2gc16679h","","","0.71073","MoKα","","0.1057","0.0619","","","0.1392","0.1671","","","","","","1.025","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207718","6.7907","0.0003","39.3289","0.0018","15.507","0.0007","90","","97.857","0.002","90","","4102.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H54 Ag2 B36 Co2 N2 -","- C15 H54 Ag2 B36 Co2 N2 -","- C60 H216 Ag8 B144 Co8 N8 -","4","1","","Cunha-Silva, Luís; Hardie, Michaele J.","Exploring Ag⋯H‒B interactions in coordination polymers: silver‒alkanedinitrile networks with cobalt carbaborane anions","CrystEngComm","2012","14","10","3367","","10.1039/c2ce00003b","","","0.71073","MoKα","","0.0361","0.0273","","","0.0749","0.0868","","","","","","1.128","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207719","36.846","0.007","12.174","0.002","30.395","0.006","90","","102.93","0.03","90","","13288","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H90 Ag3 B54 Co3 N4 -","- C28 H90 Ag3 B54 Co3 N4 -","- C224 H720 Ag24 B432 Co24 N32 -","8","1","","Cunha-Silva, Luís; Hardie, Michaele J.","Exploring Ag⋯H‒B interactions in coordination polymers: silver‒alkanedinitrile networks with cobalt carbaborane anions","CrystEngComm","2012","14","10","3367","","10.1039/c2ce00003b","","","0.71073","MoKα","","0.0741","0.0491","","","0.1285","0.1451","","","","","","1.051","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207720","13.8493","0.0011","13.9797","0.001","15.3847","0.0012","91.493","0.006","110.928","0.007","109.633","0.007","2584","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)} dimethylformamide solvate","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)} dimethylformamide solvate","","- C43 H55 Cd2 N9 O13 -","- C43 H55 Cd2 N9 O13 -","- C86 H110 Cd4 N18 O26 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0519","0.0396","","","0.0947","0.1036","","","","","","1.02","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207721","10.2012","0.0006","10.2797","0.0006","14.2612","0.0007","94.523","0.004","91.481","0.004","115.168","0.006","1346.39","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","catena{(1,2-cyclohexanedione dioxime)-bis((4-pyridylthio)acetate)- zinc(II)} dimethylformamide solvate","catena{(1,2-cyclohexanedione dioxime)-bis((4-pyridylthio)acetate)- zinc(II)} dimethylformamide solvate","","- C23 H29 N5 O7 S2 Zn -","- C23 H29 N5 O7 S2 Zn -","- C46 H58 N10 O14 S4 Zn2 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0686","0.0435","","","0.0812","0.0913","","","","","","1.023","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207722","21.709","0.003","6.593","0.0003","15.9532","0.0019","90","","133.85","0.02","90","","1646.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena{(mu2-aqua)-bis((4-pyridylthio)acetate)-cadmium(II)}","catena{(mu2-aqua)-bis((4-pyridylthio)acetate)-cadmium(II)}","","- C14 H14 Cd N2 O5 S2 -","- C14 H14 Cd N2 O5 S2 -","- C56 H56 Cd4 N8 O20 S8 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0251","0.0228","","","0.0548","0.0558","","","","","","1.096","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207723","8.4248","0.0002","23.3062","0.0005","12.1929","0.0003","90","","93.277","0.002","90","","2390.16","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena{( mu2-4,4^'^-dipyridylsulfide)-(1,2-cyclohexanedionedioxime)- ( di-acetate)-cadmium(II)}","catena{( mu2-4,4^'^-dipyridylsulfide)-(1,2-cyclohexanedionedioxime)- ( di-acetate)-cadmium(II)}","","- C20 H24 Cd N4 O6 S -","- C20 H24 Cd N4 O6 S -","- C80 H96 Cd4 N16 O24 S4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0493","0.0359","","","0.0852","0.0916","","","","","","1.093","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207724","10.9226","0.0003","22.3442","0.0004","17.7664","0.0004","90","","94.19","0.002","90","","4324.42","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena{( mu2-4,4^'^-dipyridyl sulfide)-(1,2-cyclohexanedione dioxime)- (di-formate)‒cadmium(II)}","catena{( mu2-4,4^'^-dipyridyl sulfide)-(1,2-cyclohexanedione dioxime)- (di-formate)‒cadmium(II)}","","- C18 H20 Cd N4 O6 S -","- C18 H20 Cd N4 O6 S -","- C144 H160 Cd8 N32 O48 S8 -","8","2","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0652","0.0401","","","0.0848","0.0944","","","","","","1.073","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207725","8.1727","0.0002","22.8786","0.0004","12.0939","0.0002","90","","92.5","0.002","90","","2259.16","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena{( mu2-4,4^'^- dipyridylsulfide)-(1,2-cyclohexanedionedioxime) -(di-acetate)-zinc(II)}","catena{( mu2-4,4^'^- dipyridylsulfide)-(1,2-cyclohexanedionedioxime) -(di-acetate)-zinc(II)}","","- C20 H24 N4 O6 S Zn -","- C20 H24 N4 O6 S Zn -","- C80 H96 N16 O24 S4 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.039","0.0299","","","0.0745","0.0794","","","","","","1.011","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207726","13.924","0.004","14.118","0.003","14.651","0.004","104.3","0.02","116.29","0.03","102.62","0.02","2317.1","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)}","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)}","","- C40 H48 Cd2 N8 O12 -","- C40 H48 Cd2 N8 O12 -","- C80 H96 Cd4 N16 O24 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.308","0.1424","","","0.204","0.2986","","","","","","1.01","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207727","7.8595","0.0007","8.8017","0.0007","9.0249","0.0008","100.43","0.007","93.113","0.007","92.86","0.007","611.96","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4,4^'^-bipyrydine ethane bis(1,2-cyclohexanedionedioxime) clathrate","4,4^'^-bipyrydine ethane bis(1,2-cyclohexanedionedioxime) clathrate","","- C24 H32 N6 O4 -","- C24 H32 N6 O4 -","- C24 H32 N6 O4 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.1191","0.0581","","","0.1022","0.1271","","","","","","1.046","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207728","5.575","0.003","14.42","0.007","11.901","0.006","90","","103.109","0.008","90","","931.8","0.8","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 I2 N O -","- C5 H7 I2 N O -","- C20 H28 I8 N4 O4 -","4","1","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0408","0.0304","","","0.0785","0.0864","","","","","","1.031","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207729","4.2383","0.0006","7.3655","0.001","7.8486","0.001","113.047","0.004","99.614","0.004","93.365","0.004","220.2","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 I2 N2 -","- C6 H4 I2 N2 -","- C6 H4 I2 N2 -","1","0.5","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0408","0.0401","","","0.13","0.1307","","","","","","1.234","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207730","6.5418","0.0002","8.2834","0.0003","10.337","0.0003","90","","101.233","0.002","90","","549.41","0.03","120","","120","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H12 I2 N2 -","- C8 H12 I2 N2 -","- C16 H24 I4 N4 -","2","0.5","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0268","0.0184","","","0.039","0.0433","","","","","","1.033","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207731","15.9274","0.0007","11.0145","0.0004","8.7574","0.0004","90","","92.8","0.002","90","","1534.5","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 I4 N4 -","- C8 H12 I4 N4 -","- C32 H48 I16 N16 -","4","1","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0632","0.0491","","","0.09","0.0952","","","","","","1.191","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207732","7.7843","0.0016","12.857","0.003","13.002","0.003","113.73","0.03","106.34","0.03","92.43","0.03","1125.1","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N14 O14 -","- C12 H20 N14 O14 -","- C24 H40 N28 O28 -","2","1","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.6889","Synchrotron","","0.0645","0.062","","0.1639","0.1601","0.1639","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207733","10.3061","0.0003","10.7691","0.0003","14.5298","0.0004","73.897","0.002","89.527","0.002","85.057","0.002","1543.38","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","2,4,6,8,10,12-hexanitrohexaazaisowurtzitane: 1,4-dioxane (1:4) Co-crystal","","- C10 H17 N6 O9.5 -","- C10 H17 N6 O9.5 -","- C40 H68 N24 O38 -","4","2","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.71073","MoKα","","0.0738","0.071","","0.1526","0.1482","0.1526","","","","","","0.9917","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207734","15.7503","0.0009","20.5096","0.0013","23.2073","0.0013","90","","90.092","0.002","90","","7496.7","0.8","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,6,8,10,12-hexanitrohexaazaisowurtzitane:","","- C13.33 H15.67 N16 O18.67 -","- C13.3333 H15.6667 N16 O18.6667 -","- C160 H188 N192 O224 -","12","3","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.71073","MoKα","","0.0627","0.0535","","0.1336","0.1264","0.1336","","","","","","0.9669","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207735","18.893","0.0003","12.07295","0.00013","21.8241","0.0004","90","","114.977","0.002","90","","4512.4","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4,6,8,10,12-hexanitrohexaazisowurtzitane:","","","- C24 H60 N21 O15 P3 -","- C24 H60 N21 O15 P3 -","- C96 H240 N84 O60 P12 -","4","1","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","1.5418","CuKα","","0.0535","0.0456","","0.137","0.1329","0.137","","","","","","1.0187","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207736","20.059","0.003","3.685","0.0004","21.004","0.003","90","","104.424","0.015","90","","1503.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O4 -","- C14 H8 O4 -","- C84 H48 O24 -","6","1.5","","Cyrański, Michał K.; Jamróz, Michał H.; Rygula, Anna; Dobrowolski, Jan Cz.; Dobrzycki, Łukasz; Baranska, Malgorzata","On two alizarin polymorphs","CrystEngComm","2012","14","10","3667","","10.1039/c2ce06063a","","","0.71073","MoKα","","0.1336","0.0696","","","0.1763","0.2013","","","","","","0.851","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207737","8.1319","0.0004","3.7102","0.0002","16.8711","0.0009","90","","100.455","0.005","90","","500.57","0.05","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C14 H8 O4 -","- C14 H8 O4 -","- C28 H16 O8 -","2","1","","Cyrański, Michał K.; Jamróz, Michał H.; Rygula, Anna; Dobrowolski, Jan Cz.; Dobrzycki, Łukasz; Baranska, Malgorzata","On two alizarin polymorphs","CrystEngComm","2012","14","10","3667","","10.1039/c2ce06063a","","","1.54178","CuKα","","0.06","0.0421","","","0.1026","0.1082","","","","","","0.966","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207738","33.6613","0.0018","9.1498","0.0005","13.0273","0.0007","90","","92.129","0.001","90","","4009.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Er3 N8 O24 -","- C29 H37 Er3 N8 O24 -","- C116 H148 Er12 N32 O96 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0297","0.0273","","","0.0958","0.0978","","","","","","1","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207739","33.69","0.02","9.217","0.006","13.134","0.009","90","","92.256","0.007","90","","4075","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Ho3 N8 O24 -","- C29 H37 Ho3 N8 O24 -","- C116 H148 Ho12 N32 O96 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0308","0.0248","","","0.0547","0.0574","","","","","","1.01","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207740","33.765","0.003","9.2778","0.0009","13.2345","0.0013","90","","92.126","0.001","90","","4143.1","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 N8 O24 Sm3 -","- C29 H37 N8 O24 Sm3 -","- C116 H148 N32 O96 Sm12 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0228","0.022","","","0.0631","0.0636","","","","","","1.088","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207741","33.699","0.003","9.1979","0.0008","13.104","0.0012","90","","92.117","0.001","90","","4058.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Dy3 N8 O24 -","- C29 H37 Dy3 N8 O24 -","- C116 H148 Dy12 N32 O96 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0249","0.0236","","","0.0688","0.0696","","","","","","1.091","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207742","12.1992","0.0003","15.719","0.0005","25.8536","0.0008","90","","90","","90","","4957.7","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H22 N4 Ni2 O11 -","- C20 H27 N4 Ni2 O11 -","- C160 H216 N32 Ni16 O88 -","8","0.5","","Guo, Sheng-Qi; Tian, Dan; Zheng, Xiang; Zhang, Hong","A rare 4-connected neb topological metal‒organic framework with ferromagnetic characteristics","CrystEngComm","2012","14","9","3177","","10.1039/c2ce06202j","","","0.71073","MoKα","","0.0273","0.0255","","","0.0673","0.0678","","","","","","1.065","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207743","22.9238","0.0017","22.9238","0.0017","22.9238","0.0017","90","","90","","90","","12046.5","1.5","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C36 H62 Fe N3 O19 P6 -","- C36 H60 Fe N3 O19 P6 -","- C288 H480 Fe8 N24 O152 P48 -","8","0.333333","","Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis","Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network","CrystEngComm","2012","14","9","3096","","10.1039/c2ce06261e","","","0.71073","MoKα","","0.1708","0.0678","","","0.166","0.2085","","","","","","0.82","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207744","20.403","0.008","26.51","0.01","30.721","0.004","90","","99.49","0.02","90","","16389","9","150","2","150","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","MOLTECH ANJOU UMR CNRS 6200 2, bd Lavoisier 49045 Angers cedex France","MOLTECH ANJOU UMR CNRS 6200 2, bd Lavoisier 49045 Angers cedex France","","- C108 H180 Ag3 Cl3 Fe3 N9 O68 P18 -","- C108 H180 Ag3 Cl3 Fe3 N9 O68 P18 -","- C432 H720 Ag12 Cl12 Fe12 N36 O272 P72 -","4","1","","Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis","Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network","CrystEngComm","2012","14","9","3096","","10.1039/c2ce06261e","","","0.71073","MoKα","","0.3343","0.1041","","","0.1867","0.2684","","","","","","1.018","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207745","14.232","0.0015","14.6531","0.0016","15.1359","0.0018","77.195","0.002","67.084","0.001","65.102","0.001","2630.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 N6 O44 P W12 -","- C21 H29 N6 O44 P W12 -","- C42 H58 N12 O88 P2 W24 -","2","1","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper–quinoxaline–polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0738","0.0589","","","0.1591","0.1721","","","","","","1.013","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207746","20.303","0.003","20.303","0.003","53.196","0.011","90","","90","","120","","18990","6","298","2","298","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C72 H54 Cu6 N18 O80 P2 W24 -","- C72 H54 Cu6 N18 O80 P2 W24 -","- C432 H324 Cu36 N108 O480 P12 W144 -","6","0.166667","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0744","0.0455","","","0.1163","0.1484","","","","","","1.134","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207747","16.9679","0.0011","18.5233","0.0012","21.4289","0.0015","90","","90","","90","","6735.1","0.8","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C40 H32 Cu3 N10 O41 P W12 -","- C40 H30 Cu3 N10 O41 P W12 -","- C160 H120 Cu12 N40 O164 P4 W48 -","4","0.5","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0559","0.0489","","","0.1374","0.1441","","","","","","1.09","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207748","22.232","0.005","13.209","0.003","11.173","0.003","90","","108.225","0.003","90","","3116.5","1.3","93","2","93","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C32 H28 Cu5 N8 O40.5 P W11 -","- C32 H24 Cu5 N8 O40.5 P W11 -","- C64 H48 Cu10 N16 O81 P2 W22 -","2","0.25","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0655","0.0581","","","0.1354","0.1394","","","","","","1.137","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207749","18.2072","0.0018","25.709","0.002","26.639","0.003","94.661","0.002","106.296","0.002","108.962","0.002","11112.9","1.9","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H148 As4 Ce2 Cu7.5 N28 Na O172 W44 -","- C28 H112 As4 Ce2 Cu7.5 N28 Na O172 W44 -","- C56 H224 As8 Ce4 Cu15 N56 Na2 O344 W88 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1366","0.0684","","","0.148","0.1686","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207750","15.9375","0.0015","18.2356","0.0017","21.056","0.0019","114.312","0.001","90.885","0.002","94.344","0.002","5553.5","0.9","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H110 As4 Cu5 N20 Na6 O168 Pr2 W44 -","- C20 H80 As4 Cu5 N20 Na6 O168 Pr2 W44 -","- C20 H80 As4 Cu5 N20 Na6 O168 Pr2 W44 -","1","0.5","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic–inorganic hybrids assembled by arsenotungstates and CuII–LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.111","0.0813","","","0.1978","0.2123","","","","","","1.065","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7207751","15.868","0.003","18.261","0.004","20.999","0.005","114.59","0.004","91.094","0.004","94.127","0.004","5511","2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H106 As4 Cu5 Eu2 N20 Na6 O166 W44 -","- C20 H80 As4 Cu5 Eu2 N20 Na6 O166 W44 -","- C20 H80 As4 Cu5 Eu2 N20 Na6 O166 W44 -","1","0.5","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic–inorganic hybrids assembled by arsenotungstates and CuII–LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.158","0.077","","","0.1549","0.1741","","","","","","1.012","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7207752","16.0145","0.0019","18.212","0.002","20.934","0.002","114.347","0.002","90.846","0.002","94.085","0.002","5541.9","1","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H53 As2 Cu2.5 N10 Na3 O83 Tb W22 -","- C10 H40 As2 Cu2.5 N10 Na3 O83 Tb W22 -","- C20 H80 As4 Cu5 N20 Na6 O166 Tb2 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1174","0.085","","","0.2143","0.2347","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207753","13.623","0.005","20.217","0.007","24.846","0.008","102.355","0.005","104.331","0.005","98.656","0.005","6325","4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H120 As2 Cu5.5 Dy N22 O83 W22 -","- C33 H110 As2 Cu5.5 Dy N22 O83 W22 -","- C66 H220 As4 Cu11 Dy2 N44 O166 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.0642","0.0441","","","0.1084","0.1159","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207754","16.026","0.003","18.284","0.003","21.007","0.003","114.067","0.002","90.834","0.003","94.387","0.003","5596.8","1.6","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H54 As2 Cu2.5 N10 Na3 Nd O83.5 W22 -","- C10 H40 As2 Cu2.5 N10 Na3 Nd O83.5 W22 -","- C20 H80 As4 Cu5 N20 Na6 Nd2 O167 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1192","0.0876","","","0.2203","0.2383","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207755","16.039","0.004","18.277","0.005","20.982","0.005","114.244","0.004","90.779","0.004","94.123","0.004","5587","2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H56 As2 Cu2.5 N10 Na3 O84.5 Sm W22 -","- C10 H40 As2 Cu2.5 N10 Na3 O84.5 Sm W22 -","- C20 H80 As4 Cu5 N20 Na6 O169 Sm2 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1003","0.0651","","","0.1565","0.1721","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207756","16.976","0.003","37.375","0.007","19.576","0.003","90","","92.761","0.004","90","","12406","4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H117 As2 Cu5.5 N21 O84 Pr W22 -","- C31.5 H105 As2 Cu5.5 N21 O84 Pr W22 -","- C126 H420 As8 Cu22 N84 O336 Pr4 W88 -","4","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.0987","0.0542","","","0.0936","0.1025","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207757","16.955","0.004","37.229","0.008","19.506","0.004","90","","92.767","0.005","90","","12298","5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H117 As2 Cu5.5 Eu N21 O84 W22 -","- C31.5 H105 As2 Cu5.5 Eu N21 O84 W22 -","- C126 H420 As8 Cu22 Eu4 N84 O336 W88 -","4","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1094","0.0534","","","0.1082","0.1212","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207758","13.4927","0.0008","20.0061","0.0012","24.5797","0.0014","102.318","0.001","104.73","0.001","98.677","0.001","6119.7","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H122 As2 Cu5.5 N22 O84 Tb W22 -","- C33 H110 As2 Cu5.5 N22 O84 Tb W22 -","- C66 H220 As4 Cu11 N44 O168 Tb2 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.0874","0.067","","","0.1629","0.1735","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207759","30.63","0.011","5.8524","0.0019","22.101","0.008","90","","117.912","0.006","90","","3501","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 N3 O6 -","- C14 H25 N3 O6 -","- C112 H200 N24 O48 -","8","1","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","CdS quantum dots doped with a peptide matrix: structural and photoelectrochemical properties","CrystEngComm","2012","14","9","3156","","10.1039/c2ce06355g","","","0.71073","MoKα","","0.12","0.0631","","","0.1551","0.1874","","","","","","1.003","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207760","14.2705","0.0009","13.3006","0.0008","21.2009","0.0017","90","","108.655","0.003","90","","3812.6","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C136 H192 N16 O40 -","8","1","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","CdS quantum dots doped with a peptide matrix: structural and photoelectrochemical properties","CrystEngComm","2012","14","9","3156","","10.1039/c2ce06355g","","","0.71073","MoKα","","0.0838","0.0542","","","0.1514","0.187","","","","","","0.955","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207761","5.3951","0.0004","8.1557","0.0007","11.4412","0.0009","80.447","0.002","84.791","0.002","72.016","0.002","471.77","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Cl N3 O2 -","- C8 H10 Cl N3 O2 -","- C16 H20 Cl2 N6 O4 -","2","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C–H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0268","0.0258","","","0.0679","0.0687","","","","","","1.068","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207762","10.3283","0.0008","8.1976","0.0007","12.329","0.0009","90","","114.243","0.003","90","","951.81","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Br N3 O2 -","- C8 H10 Br N3 O2 -","- C32 H40 Br4 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C–H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0182","0.0168","","","0.0416","0.042","","","","","","1.049","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207763","11.5624","0.0004","8.3426","0.0004","12.2163","0.0005","90","","116.412","0.002","90","","1055.39","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 B F4 N3 O2 -","- C8 H10 B F4 N3 O2 -","- C32 H40 B4 F16 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C–H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0332","0.0309","","","0.0783","0.0805","","","","","","1.075","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207764","5.452","0.0003","6.1264","0.0003","15.5624","0.0008","99.478","0.003","92.657","0.003","99.407","0.003","504.38","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 N4 O5 -","- C8 H10 N4 O5 -","- C16 H20 N8 O10 -","2","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C–H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0382","0.0338","","","0.1044","0.1196","","","","","","1.93","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207765","8.4003","0.0002","8.9153","0.0002","10.3151","0.0003","101.57","0.001","103.452","0.001","111.64","0.001","662.4","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 F3 N3 O5 S -","- C9 H10 F3 N3 O5 S -","- C18 H20 F6 N6 O10 S2 -","2","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C–H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0358","0.0336","","","0.0832","0.0847","","","","","","1.171","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207766","13.247","0.001","11.2054","0.001","15.5055","0.0014","90","","90","","90","","2301.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 F6 N3 O2 P -","- C8 H10 F6 N3 O2 P -","- C64 H80 F48 N24 O16 P8 -","8","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C–H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0383","0.029","","","0.0714","0.0775","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207767","9.7596","0.0003","15.686","0.0005","16.853","0.0005","90","","90","","90","","2580.01","0.14","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H30 B N3 O2 -","- C32 H30 B N3 O2 -","- C128 H120 B4 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C–H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0425","0.0343","","","0.0862","0.1102","","","","","","1.153","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207768","12.458","0.004","14.423","0.004","33.063","0.011","80.384","0.009","83.877","0.011","79.272","0.009","5737","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H178 Co11 N24 O88 S24 -","- C192 H98 Co11 N24 O88 S24 -","- C192 H98 Co11 N24 O88 S24 -","1","0.5","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.1194","0.087","","","0.2144","0.2466","","","","","","1.041","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207769","8.608","0.002","19.26","0.005","31.701","0.008","103.706","0.003","92.298","0.003","95.323","0.004","5074","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H132 Co4 N24 O58 S24 -","- C192 H112 Co4 N24 O58 S24 -","- C192 H112 Co4 N24 O58 S24 -","1","0.5","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.107","0.0673","","","0.1407","0.1677","","","","","","1.086","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207770","15.839","0.007","7.526","0.003","23.941","0.01","90","","104.584","0.007","90","","2762","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Co N4 O11 S2 -","- C24 H24 Co N4 O11 S2 -","- C96 H96 Co4 N16 O44 S8 -","4","1","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.0822","0.0721","","","0.1256","0.1312","","","","","","1.03","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207771","8.119","0.003","15.259","0.005","15.648","0.005","64.632","0.007","84.144","0.012","80.083","0.011","1724.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H25 Co N5 O8 S3 -","- C34 H23 Co N5 O8 S3 -","- C68 H46 Co2 N10 O16 S6 -","2","1","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.1001","0.0747","","","0.1767","0.1963","","","","","","1.058","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207772","12.3807","0.0011","14.6888","0.0012","21.2276","0.0018","72.558","0.002","77.155","0.001","67.911","0.001","3386.3","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H31 La6 N5 O126 P2 W22 -","- C35 H15 La6 N5 O126 P2 W22 -","- C35 H15 La6 N5 O126 P2 W22 -","1","0.5","","Wang, Ke; Zhang, Dongdi; Ma, Junchuang; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Three-dimensional lanthanide polyoxometalate organic complexes: correlation of structure with properties","CrystEngComm","2012","14","9","3205","","10.1039/c2ce06492h","","","0.71073","MoKα","","0.0618","0.0429","","","0.0972","0.1062","","","","","","1.012","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207773","12.4306","0.0009","14.7656","0.0011","21.276","0.0016","72.562","0.001","77.799","0.001","67.659","0.001","3424.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 Ce6 N5 O130 P2 W22 -","- C35 H15 Ce6 N5 O130 P2 W22 -","- C35 H15 Ce6 N5 O130 P2 W22 -","1","0.5","","Wang, Ke; Zhang, Dongdi; Ma, Junchuang; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Three-dimensional lanthanide polyoxometalate organic complexes: correlation of structure with properties","CrystEngComm","2012","14","9","3205","","10.1039/c2ce06492h","","","0.71073","MoKα","","0.0337","0.0279","","","0.0646","0.0673","","","","","","1.017","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207774","12.235","0.0019","14.546","0.002","19.853","0.003","109.711","0.002","91.443","0.002","112.699","0.002","3019.1","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H25 N5 O122 P2 Pr6 W22 -","- C35 H17 N5 O122 P2 Pr6 W22 -","- C35 H17 N5 O122 P2 Pr6 W22 -","1","0.5","","Wang, Ke; Zhang, Dongdi; Ma, Junchuang; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Three-dimensional lanthanide polyoxometalate organic complexes: correlation of structure with properties","CrystEngComm","2012","14","9","3205","","10.1039/c2ce06492h","","","0.71073","MoKα","","0.137","0.0612","","","0.1216","0.1491","","","","","","1.002","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207775","10.3672","0.0016","21.911","0.003","17.808","0.003","90","","97.316","0.002","90","","4012.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H50 N12 Ni O16 -","- C27 H42 N12 Ni O16 -","- C108 H168 N48 Ni4 O64 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0758","0.0563","","","0.1752","0.1944","","","","","","1","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207776","10.3859","0.0002","21.9719","0.0003","19.4185","0.0003","90","","114.589","0.001","90","","4029.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H52 N12 Ni O17 -","- C27 H42 N12 Ni O12 -","- C108 H168 N48 Ni4 O48 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0498","0.0378","","","0.1004","0.1056","","","","","","1.049","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207777","10.406","0.009","23.14","0.02","16.882","0.015","90","","94.791","0.013","90","","4051","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H46 N12 Ni O14 -","- C27 H42 N12 Ni O14 -","- C108 H168 N48 Ni4 O56 -","4","0.5","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.1676","0.1219","","","0.3225","0.355","","","","","","1.166","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207778","39.969","0.0009","10.254","0.0002","20.2422","0.0005","90","","113.171","0.001","90","","7626.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 N12 Ni O15 -","- C28 H44 N12 Ni O12 -","- C224 H352 N96 Ni8 O96 -","8","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0603","0.0452","","","0.1075","0.1135","","","","","","0.991","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207779","10.4506","0.0002","23.1249","0.0005","19.9968","0.0003","90","","120.985","0.001","90","","4143.01","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H53 Cl N12 Ni O20 -","- C28 H53 Cl N12 Ni O20 -","- C112 H212 Cl4 N48 Ni4 O80 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0597","0.0486","","","0.1259","0.1325","","","","","","1.067","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207780","16.958","0.003","24.82","0.015","10.321","0.002","90","","92.33","0.03","90","","4340","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H51 N12 Ni O14 S -","- C30 H43 N12 Ni O14 S -","- C120 H172 N48 Ni4 O56 S4 -","4","0.5","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.146","0.0718","","","0.1546","0.1884","","","","","","1.121","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207781","16.9154","0.0019","24.92","0.003","10.3143","0.0011","90","","92.829","0.002","90","","4342.5","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H49 N13 Ni O13 -","- C31 H49 N13 Ni O13 -","- C124 H196 N52 Ni4 O52 -","4","0.5","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0948","0.0766","","","0.199","0.2103","","","","","","1.081","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207782","39.696","0.007","10.2615","0.0018","19.738","0.003","90","","112.413","0.002","90","","7433","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H47 Cu N12 O13.5 -","- C28 H44 Cu N12 O13.5 -","- C224 H352 Cu8 N96 O108 -","8","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.1168","0.0654","","","0.1755","0.2043","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207783","17.0877","0.0019","9.2378","0.001","14.0442","0.0015","90","","111.136","0.001","90","","2067.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 Cl2 Cu N6 O8 -","- C13 H28 Cl2 Cu N6 O8 -","- C52 H112 Cl8 Cu4 N24 O32 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0342","0.0282","","","0.0712","0.0742","","","","","","1.03","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207784","21.186","0.005","21.293","0.005","17.947","0.004","90","","96.459","0.018","90","","8045","3","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 Cu6 I2 Mo2 N10 O2 S6 -","- C50 H40 Cu6 I2 Mo2 N10 O2 S6 -","- C200 H160 Cu24 I8 Mo8 N40 O8 S24 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.71073","MoKα","","0.1096","0.0818","","","0.2246","0.2739","","","","","","1.096","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207785","21.25","0.001","21.2819","0.0008","18.1026","0.0007","90","","96.336","0.004","90","","8136.7","0.6","291","2","291","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 Cu6 I2 Mo2 N14 O6 S6 -","- C62 H61 Cu6 I2 Mo2 N14 O6 S6 -","- C248 H244 Cu24 I8 Mo8 N56 O24 S24 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.71073","MoKα","","0.075","0.0511","","","0.1197","0.1324","","","","","","1.048","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207786","40.592","0.008","9.7008","0.0019","24.75","0.005","90","","104.95","0.03","90","","9416","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cu6 Mo2 N12 O2 S8 -","- C52 H40 Cu6 Mo2 N12 O2 S8 -","- C208 H160 Cu24 Mo8 N48 O8 S32 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.71073","MoKα","","0.0946","0.0606","","","0.1363","0.1505","","","","","","1","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207787","21.263","0.002","21.287","0.0018","18.0287","0.0017","90","","96.213","0.01","90","","8112.3","1.3","291.15","","291.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C65 H68 Br2 Cu6 Mo2 N15 O7 S6 -","- C65 H68 Br2 Cu6 Mo2 N15 O7 S6 -","- C260 H272 Br8 Cu24 Mo8 N60 O28 S24 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.7107","MoKα","","0.0895","0.0502","","","0.1197","0.1412","","","","","","1.004","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207788","12.8267","0.0003","28.9972","0.0008","9.5316","0.0003","90","","92.186","0.002","90","","3542.59","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Mn N O7 -","- C17 H17 Mn N O7 -","- C136 H136 Mn8 N8 O56 -","8","1","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0491","0.0366","","","0.0995","0.1042","","","","","","0.993","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207789","11.6576","0.0003","7.9742","0.0001","15.6452","0.0003","90","","102.303","0.002","90","","1420.98","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cd O8 -","- C14 H10 Cd O8 -","- C56 H40 Cd4 O32 -","4","1","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0319","0.0277","","","0.0788","0.0798","","","","","","1.139","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207790","11.9066","0.0002","20.4425","0.0004","7.4631","0.0001","90","","98.596","0.002","90","","1796.12","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O7 Pb -","- C17 H17 N O7 Pb -","- C68 H68 N4 O28 Pb4 -","4","1","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0323","0.0215","","","0.0388","0.0397","","","","","","0.929","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207791","25.8352","0.0009","11.4382","0.0003","7.3069","0.0003","90","","98.104","0.004","90","","2137.69","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N2 O6 -","- C26 H18 Cd N2 O6 -","- C104 H72 Cd4 N8 O24 -","4","0.5","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0243","0.021","","","0.0487","0.0493","","","","","","1.03","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207792","11.7493","0.0011","12.9213","0.0013","14.2679","0.0017","107.94","0.01","97.377","0.009","97.394","0.008","2011","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H66 Cd5 N4 O30 -","- C90 H66 Cd5 N4 O30 -","- C90 H66 Cd5 N4 O30 -","1","0.5","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0988","0.0674","","","0.2079","0.2678","","","","","","1.085","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207793","9.1908","0.0005","11.6347","0.0006","12.4736","0.0007","100.591","0.004","111.361","0.003","101.38","0.004","1169.06","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N7 O6 S -","- C22 H21 N7 O6 S -","- C44 H42 N14 O12 S2 -","2","1","","Basu, Arghya; Das, Gopal","Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis","CrystEngComm","2012","14","9","3306","","10.1039/c2ce06541j","","","0.71073","MoKα","","0.167","0.0513","","","0.1182","0.1406","","","","","","0.842","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207794","8.335","0.0007","12.3287","0.001","25.638","0.003","90","","100.345","0.007","90","","2591.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N9 O6 S -","- C24 H27 N9 O6 S -","- C96 H108 N36 O24 S4 -","4","1","","Basu, Arghya; Das, Gopal","Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis","CrystEngComm","2012","14","9","3306","","10.1039/c2ce06541j","","","0.71073","MoKα","","0.1709","0.0498","","","0.0831","0.0976","","","","","","0.906","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207795","12.6988","0.0014","15.425","0.0018","14.7893","0.0018","90","","118.108","0.008","90","","2555.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N6 O5 S -","- C24 H28 N6 O5 S -","- C96 H112 N24 O20 S4 -","4","1","","Basu, Arghya; Das, Gopal","Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis","CrystEngComm","2012","14","9","3306","","10.1039/c2ce06541j","","","0.71073","MoKα","","0.2544","0.0525","","","0.1145","0.158","","","","","","0.859","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207796","12.0553","0.0003","13.5377","0.0003","13.851","0.0004","89.426","0.002","77.013","0.001","67.008","0.001","2020.06","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H39 Ag2 F6 N13 O7 S2 -","- C29 H39 Ag2 F6 N13 O7 S2 -","- C58 H78 Ag4 F12 N26 O14 S4 -","2","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0687","0.0443","","","0.1057","0.1183","","","","","","1.04","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207797","11.263","0.0004","12.8443","0.0003","13.4111","0.0004","95.896","0.002","98.347","0.002","107.469","0.002","1808.9","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H66 Ag4 F12 N24 O13 S4 -","- C52 H66 Ag4 F12 N24 O13 S4 -","- C52 H66 Ag4 F12 N24 O13 S4 -","1","0.5","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0665","0.0371","","","0.0744","0.0842","","","","","","1.029","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207798","12.6179","0.0004","13.4765","0.0003","20.5256","0.0009","90","","107.897","0.003","90","","3321.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Ag2 Cl2 N12 O7 -","- C25 H36 Ag2 Cl2 N12 O7 -","- C100 H144 Ag8 Cl8 N48 O28 -","4","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0498","0.0287","","","0.0525","0.0576","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207799","12.3742","0.0002","13.884","0.0002","14.1976","0.0002","110.879","0.001","101.366","0.001","102.307","0.001","2124.72","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H64 Ag6 F18 N24 O18 S6 -","- C54 H64 Ag6 F18 N24 O18 S6 -","- C54 H64 Ag6 F18 N24 O18 S6 -","1","0.5","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0346","0.0259","","","0.0571","0.0602","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207800","20.1692","0.0007","6.8605","0.0002","28.4044","0.0008","90","","110.456","0.002","90","","3682.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Ag F3 N6 O3 S -","- C14 H18 Ag F3 N6 O3 S -","- C112 H144 Ag8 F24 N48 O24 S8 -","8","2","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.072","0.0394","","","0.0767","0.0876","","","","","","1.065","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207801","7.0111","0.0004","10.3913","0.0003","17.7538","0.0011","90","","94.186","0.006","90","","1289.99","0.12","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0364","0.0283","","","0.0521","0.0537","","","","","","0.927","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207802","36.189","0.005","7.5131","0.0005","10.3712","0.0016","90","","102.949","0.013","90","","2748.1","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0439","0.0321","","","0.0837","0.0874","","","","","","1.075","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207803","7.823","0.003","9.608","0.005","12.6865","0.0015","102.052","0.007","90.957","0.017","113.86","0.02","847.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C34 H40 N4 O12 -","2","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.1358","0.0396","","","0.0506","0.0594","","","","","","0.772","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207804","20.003","0.004","13.847","0.003","12.636","0.002","90","","113.54","0.01","90","","3208.7","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N2 O5.5 -","- C16 H19 N2 O5.5 -","- C128 H152 N16 O44 -","8","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0823","0.0533","","","0.1216","0.1391","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207805","6.047","0.002","6.272","0.003","26.102","0.008","89.21","0.04","85.91","0.03","66.67","0.04","906.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O4 -","- C18 H15 N2 O4 -","- C36 H30 N4 O8 -","2","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0848","0.0594","","","0.1783","0.1911","","","","","","1.078","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207806","14.4121","0.0009","14.7205","0.0009","14.7927","0.001","110.087","0.002","104.02","0.002","108.739","0.001","2562.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 N12 Nd4 O33 -","- C88 H100 N12 Nd4 O33 -","- C88 H100 N12 Nd4 O33 -","1","0.5","","Feng, Weixu; Zhang, Yao; Lü, Xingqiang; Hui, Yani; Shi, Guoxiang; Zou, Dan; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.","Near-infrared (NIR) luminescent homoleptic lanthanide Salen complexes Ln4(Salen)4 (Ln = Nd, Yb or Er)","CrystEngComm","2012","14","10","3456","","10.1039/c2ce06566e","","","0.71073","MoKα","","0.115","0.0752","","","0.1978","0.2431","","","","","","1.095","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207807","14.424","0.0012","14.463","0.0011","14.633","0.002","111.254","0.002","104.137","0.002","107.699","0.001","2485","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 N12 O33 Yb4 -","- C88 H100 N12 O33 Yb4 -","- C88 H100 N12 O33 Yb4 -","1","0.5","","Feng, Weixu; Zhang, Yao; Lü, Xingqiang; Hui, Yani; Shi, Guoxiang; Zou, Dan; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.","Near-infrared (NIR) luminescent homoleptic lanthanide Salen complexes Ln4(Salen)4 (Ln = Nd, Yb or Er)","CrystEngComm","2012","14","10","3456","","10.1039/c2ce06566e","","","0.71073","MoKα","","0.0532","0.039","","","0.0956","0.1044","","","","","","1.044","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207808","14.4573","0.0013","14.569","0.0013","14.707","0.002","111.567","0.002","102.88","0.002","107.54","0.001","2545","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 Er4 N12 O33 -","- C88 H100 Er4 N12 O33 -","- C88 H100 Er4 N12 O33 -","1","0.5","","Feng, Weixu; Zhang, Yao; Lü, Xingqiang; Hui, Yani; Shi, Guoxiang; Zou, Dan; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.","Near-infrared (NIR) luminescent homoleptic lanthanide Salen complexes Ln4(Salen)4 (Ln = Nd, Yb or Er)","CrystEngComm","2012","14","10","3456","","10.1039/c2ce06566e","","","0.71073","MoKα","","0.0576","0.0394","","","0.099","0.1114","","","","","","1.02","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207809","22.334","0.005","20.772","0.005","20.407","0.005","90","0.005","90","0.005","90","0.005","9467","4","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C30 H20 Ag10 N25 O68 P2 W18 -","- C30 H20 Ag10 N25 O68 P2 W18 -","- C120 H80 Ag40 N100 O272 P8 W72 -","4","0.5","","Wang, Xiang; Peng, Jun; Liu, Ming-Guan; Wang, Dan-Dan; Meng, Cui-Li; Li, Yang; Shi, Zhen-Yu","Polyoxoanion-enveloped Ag/ptz inorganic‒organic hybrid system: From a single to a double template","CrystEngComm","2012","14","9","3220","","10.1039/c2ce06577k","","","0.71069","MoKα","","0.0377","0.0338","","","0.0644","0.0657","","","","","","1.049","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207810","12.068","0.005","13.909","0.005","22.742","0.005","95.902","0.005","104.964","0.005","103.97","0.005","3523","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 Ag7 N25 O41 Si W12 -","- C30 H20 Ag7 N25 O41 Si W12 -","- C60 H40 Ag14 N50 O82 Si2 W24 -","2","1","","Wang, Xiang; Peng, Jun; Liu, Ming-Guan; Wang, Dan-Dan; Meng, Cui-Li; Li, Yang; Shi, Zhen-Yu","Polyoxoanion-enveloped Ag/ptz inorganic‒organic hybrid system: From a single to a double template","CrystEngComm","2012","14","9","3220","","10.1039/c2ce06577k","","","0.71069","MoKα","","0.0879","0.0657","","","0.1427","0.1572","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207811","5.4378","0.0011","7.0974","0.0014","12.031","0.002","90.52","0.03","95.2","0.03","102.28","0.03","451.64","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 O12 S2 Zn -","- C14 H18 O12 S2 Zn -","- C14 H18 O12 S2 Zn -","1","0.5","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0368","0.0275","","","0.0757","0.0862","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207812","5.6965","0.0011","7.1619","0.0014","11.935","0.002","93.51","0.03","92.42","0.03","105.53","0.03","467.39","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cd O12 S2 -","- C14 H18 Cd O12 S2 -","- C14 H18 Cd O12 S2 -","1","0.5","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0564","0.0539","","","0.1518","0.1537","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207813","7.7849","0.0016","9.839","0.002","12.367","0.003","76.16","0.03","84","0.03","71.71","0.03","872.8","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cd2 N4 O12 S2 -","- C34 H32 Cd2 N4 O12 S2 -","- C34 H32 Cd2 N4 O12 S2 -","1","0.5","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.032","0.0264","","","0.0711","0.0807","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207814","7.6682","0.0017","10.7302","0.0019","11.371","0.002","89.097","0.005","72.836","0.006","89.849","0.006","893.8","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 N2 O7 S Zn -","- C17 H18 N2 O7 S Zn -","- C34 H36 N4 O14 S2 Zn2 -","2","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.1229","0.0699","","","0.1744","0.2249","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207815","7.1106","0.0014","18.31","0.004","12.36","0.003","90","","100.11","0.03","90","","1584.2","0.6","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 N4 O13 S Zn -","- C27 H36 N4 O13 S Zn -","- C54 H72 N8 O26 S2 Zn2 -","2","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.1156","0.0534","","","0.1212","0.19","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207816","18.49","0.004","12.4","0.003","25","0.005","90","","107.99","0.03","90","","5452","2","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H52 Cd2 N8 O16 S2 -","- C54 H52 Cd2 N8 O16 S2 -","- C216 H208 Cd8 N32 O64 S8 -","4","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0466","0.041","","","0.0971","0.1016","","","","","","1.023","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207817","23.7711","0.0016","18.2299","0.0012","10.4033","0.0007","90","","91.183","0.002","90","","4507.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Cd2 N4 O12 -","- C48 H40 Cd2 N4 O12 -","- C192 H160 Cd8 N16 O48 -","4","1","","Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Wang, Linshan; Wang, Enbo","Two 2D →3D entangled coordination polymers with polycatenated and polythreaded features based on 44-sql layers","CrystEngComm","2012","14","9","3264","","10.1039/c2ce06593b","","","0.71073","MoKα","","0.038","0.0301","","","0.0885","0.0937","","","","","","1.022","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207818","27.312","0.0005","27.312","0.0005","34.5543","0.0015","90","","90","","90","","25775.6","1.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C125 H134 N10 Ni5 O32 -","- C125 H134 N10 Ni5 O32 -","- C1000 H1072 N80 Ni40 O256 -","8","0.5","","Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Wang, Linshan; Wang, Enbo","Two 2D →3D entangled coordination polymers with polycatenated and polythreaded features based on 44-sql layers","CrystEngComm","2012","14","9","3264","","10.1039/c2ce06593b","","","0.71073","MoKα","","0.1049","0.0489","","","0.0957","0.1197","","","","","","0.928","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207819","23.3334","0.0007","10.3868","0.0003","17.3827","0.0006","90","","109.477","0.002","90","","3971.8","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co N12 O2 S2 -","- C40 H34 Co N12 O2 S2 -","- C160 H136 Co4 N48 O8 S8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.1092","0.0697","","0.1443","0.0669","0.056","","","","","","1.0536","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207820","28.199","0.006","10.371","0.002","32.295","0.007","90","","103.51","0.03","90","","9183","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50.33 H38.67 Cl1.33 Co N8 O2 S2 -","- C50.34 H36.68 Cl1.34 Co N8 O1.99 S2 -","- C402.72 H293.44 Cl10.72 Co8 N64 O15.92 S16 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0487","0.0463","","","0.1244","0.1264","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207821","14.3014","0.0008","14.3112","0.0007","26.2091","0.0012","90","","90","","90","","5364.2","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H28 Co N6 O2 S2 -","- C27 H28 Co N6 O2 S2 -","- C216 H224 Co8 N48 O16 S16 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0425","0.0415","","","0.0928","0.0933","","","","","","1.216","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207822","24.608","0.002","10.6168","0.001","17.7748","0.0016","90","","116.118","0.006","90","","4169.6","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H70 Co2 N16 O5 S4 -","- C88 H60 Co2 N16 O5 S4 -","- C176 H120 Co4 N32 O10 S8 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0597","0.0581","","","0.1598","0.1612","","","","","","1.119","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207823","7.0576","0.0008","21.727","0.003","12.0929","0.0012","90","","103.978","0.008","90","","1799.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl3 N5 -","- C19 H14 Cl3 N5 -","- C76 H56 Cl12 N20 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0437","0.0368","","","0.0894","0.0931","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207824","19.386","0.002","18.7538","0.0017","7.9689","0.0013","90","","99.188","0.013","90","","2860","0.6","","","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","salicylaldehyde 4-phenylthiosemicarbazone)-(salicylaldehyde 4-phenylthiosemicarbazonato)-nickel(ii) methanol (1/1) solvate","(salicylaldehyde 4-phenylthiosemicarbazone)-(salicylaldehyde 4-phenylthiosemicarbazonato)-nickel(ii) methanol (1/1) solvate","","- C29 H28 N6 Ni O3 S2 -","- C29 H28 N6 Ni O3 S2 -","- C116 H112 N24 Ni4 O12 S8 -","4","1","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","","","0.71073","MoKα","","0.1694","0.0914","","","0.1682","0.1926","","","","","","1.085","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207825","11.8765","0.00054","22.5378","0.0012","10.78016","0.00051","90","","116.174","0.0029","90","","2589.6","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N6 Ni O2 S2 -","- C28 H24 N6 Ni O2 S2 -","- C112 H96 N24 Ni4 O8 S8 -","4","0.5","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0162","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207826","19.7898","0.001","8.36585","0.00034","11.79716","0.00041","90","","90","","90","","1953.12","0.14","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H20 N6 Ni O2 S2 -","- C18 H20 N6 Ni O2 S2 -","- C72 H80 N24 Ni4 O8 S8 -","4","0.5","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0186","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207827","11.115","0.005","14.361","0.006","14.281","0.005","90","","92.75","0.05","90","","2276.9","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Ag N5 O5 S -","- C7 H8 Ag N5 O5 S -","- C56 H64 Ag8 N40 O40 S8 -","8","1","","Kumar, Jitendra; Kanoo, Prakash; Maji, Tapas Kumar; Verma, Sandeep","Water adsorbing silver‒adenine interpenetrated framework","CrystEngComm","2012","14","9","3012","","10.1039/c2ce06625d","","","0.71073","MoKα","","0.084","0.066","","","0.15","0.1606","","","","","","1.083","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207828","11.115","0.005","14.361","0.006","14.281","0.005","90","","92.75","0.05","90","","2276.9","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Ag N5 O5 S -","- C7 H8 Ag N5 O5 S -","- C56 H64 Ag8 N40 O40 S8 -","8","1","","Chen, Shui-Sheng; Zhao, Yue; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Chen, Zhi-Hao; Sun, Wei-Yin","Construction of coordination frameworks based on 4-imidazolyl tecton 1,4-di(1H-imidazol-4-yl)benzene and varied carboxylic acids","CrystEngComm","2012","14","10","3564","","10.1039/c2ce06632g","","","0.71073","MoKα","","0.109","0.0713","","","0.1562","0.1805","","","","","","1.075","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207829","8.5302","0.0003","6.8167","0.0003","9.3304","0.0004","90","","89.865","0.002","90","","542.54","0.04","509","","509","","","","","","","","commercial","4","C 1 2/c 1","-C 2yc","15","Barbituric acid","2,4,6(1H,3H,5H)-pyrimidinetrione","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","0.5","","Többens, Daniel M.; Glinneman, Jürgen; Chierotti, Michele R.; van de Streek, Jacco; Sheptyakov, Denis","On the high-temperature phase of barbituric acid","CrystEngComm","2012","14","9","3046","","10.1039/c2ce06636j","","","","","","","","","","","","","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207830","5.0901","0.0003","13.9239","0.0006","16.8234","0.0008","90","","90","","90","","1192.34","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","l-argininium perrhenate","l-argininium perrhenate","","- C6 H15 N4 O6 Re -","- C6 H15 N4 O6 Re -","- C24 H60 N16 O24 Re4 -","4","1","","Isakov, Dmitry; de Matos Gomes, Etelvina; Belsley, Michael Scott; Rodrigues, Vitor Hugo; Ramalho Costa, Maria Margarida","Synthesis, structure and non-linear optical properties of l-argininium perrhenate crystal","CrystEngComm","2012","14","10","3767","","10.1039/c2ce06652a","","","0.71073","MoKα","","0.0612","0.0505","","","0.1291","0.137","","","","","","1.053","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207831","7.313","0.0015","11.236","0.002","8.2171","0.0016","90","","97.26","0.03","90","","669.8","0.2","153","2","153","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- Mo3 Na2 O16 Te3 -","- Mo3 Na2 O16 Te3 -","- Mo6 Na4 O32 Te6 -","2","0.5","","Zhang, Wenlin; Sun, Jianfeng; Wang, Xiaoqing; Shen, Guangqiu; Shen, Dezhong","Crystal growth and optical properties of a noncentrosymmetric molybdenum tellurite, Na2Te3Mo3O16","CrystEngComm","2012","14","10","3490","","10.1039/c2ce06658k","","","0.71073","MoKα","","0.0307","0.0292","","","0.0641","0.0646","","","","","","1.073","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207832","7.1438","0.0002","10.8234","0.0002","15.2054","0.0003","90","","99.562","0.001","90","","1159.35","0.05","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H25 N O5 S -","- C29 H25 N O5 S -","- C58 H50 N2 O10 S2 -","2","1","","Kim, Pil-Joo; Jazbinsek, Mojca; Jeong, Jae-Hyeok; Kim, Jong-Taek; Lee, Yoon Sup; Jung, Yeong-Min; Lee, Soon W.; Kwon, O-Pil","New acentric quinolinium crystal with high order parameter for nonlinear optical and electro-optic applications","CrystEngComm","2012","14","10","3633","","10.1039/c2ce06667j","","","0.71073","MoKα","","0.0544","0.0394","","","0.0851","0.0918","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207833","11.3822","0.0002","11.1231","0.0002","15.3382","0.0002","90","","105.212","0.001","90","","1873.86","0.05","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cu N2 O7 P S -","- C18 H15 Cu N2 O7 P S -","- C72 H60 Cu4 N8 O28 P4 S4 -","4","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0384","0.0296","","","0.0801","0.0849","","","","","","1.073","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207834","10.2042","0.0003","6.9866","0.0002","24.8482","0.0006","90","","90.929","0.001","90","","1771.26","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cu N2 O6 P -","- C19 H15 Cu N2 O6 P -","- C76 H60 Cu4 N8 O24 P4 -","4","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0498","0.0326","","","0.0938","0.115","","","","","","1.078","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207835","10.1238","0.0008","10.4815","0.0009","13.143","0.0011","69.569","0.001","75.034","0.001","63.557","0.001","1161.36","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","3","","","- C21 H19 Cu N2 O9.5 P3 -","- C21 H18 Cu N2 O9.5 P3 -","- C42 H36 Cu2 N4 O19 P6 -","2","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0385","0.0342","","","0.0955","0.0988","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207836","9.143","0.003","9.4","0.003","11.457","0.004","101.379","0.007","91.586","0.007","114.862","0.006","869","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cu N2 O6 P2 -","- C16 H14 Cu N2 O6 P2 -","- C32 H28 Cu2 N4 O12 P4 -","2","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0261","0.0232","","","0.063","0.0652","","","","","","1.056","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207837","26.9341","0.0008","8.4997","0.0002","26.9792","0.0008","90","","117.043","0.001","90","","5501.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cu N4 O6 P2 -","- C30 H23 Cu N4 O6 P2 -","- C240 H184 Cu8 N32 O48 P16 -","8","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.059","0.0386","","","0.1","0.111","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207838","8.2313","0.001","10.2454","0.0012","11.5573","0.0014","74.28","0.001","74.22","0.001","70.04","0.001","864.33","0.18","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Ag I3 N2 -","- C12 H14 Ag I3 N2 -","- C24 H28 Ag2 I6 N4 -","2","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0225","0.02","","","0.0468","0.0481","","","","","","1.043","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207839","12.653","0.003","13.229","0.003","26.039","0.005","90","","90","","90","","4358.6","1.7","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Ag I3 N2 -","- C18 H18 Ag I3 N2 -","- C144 H144 Ag8 I24 N16 -","8","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0521","0.0311","","","0.0553","0.0596","","","","","","1.106","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207840","7.3392","0.0007","8.5029","0.0009","9.2575","0.0009","92.439","0.002","91.191","0.002","108.102","0.002","548.27","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Ag2 I4 N2 -","- C14 H18 Ag2 I4 N2 -","- C14 H18 Ag2 I4 N2 -","1","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0821","0.0777","","","0.1813","0.1861","","","","","","1.088","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207841","10.502","0.008","14.784","0.011","13.335","0.009","90","","110.039","0.014","90","","1945","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Ag2 Br4 N2 -","- C14 H18 Ag2 Br4 N2 -","- C56 H72 Ag8 Br16 N8 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.104","0.0674","","","0.1364","0.1489","","","","","","1.091","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207842","11.1087","0.0006","16.3854","0.0008","13.9793","0.0009","90","","109.386","0.007","90","","2400.3","0.3","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag2 I4 N2 -","- C16 H22 Ag2 I4 N2 -","- C64 H88 Ag8 I16 N8 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.7107","MoKα","","0.0893","0.0587","","","0.1201","0.1356","","","","","","1.035","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207843","14.0772","0.0011","21.7338","0.0018","31.559","0.003","90","","90","","90","","9655.5","1.4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C17 H24 Ag2 I4 N2 -","- C17 H24 Ag2 I4 N2 -","- C272 H384 Ag32 I64 N32 -","16","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.053","0.0275","","","0.0661","0.0844","","","","","","1.074","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207844","9.1768","0.0012","16.292","0.002","6.9455","0.0009","90","","99.883","0.002","90","","1023","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 Ag Br2 N -","- C7 H9 Ag Br2 N -","- C28 H36 Ag4 Br8 N4 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0363","0.027","","","0.0606","0.0642","","","","","","1.069","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207845","8.6941","0.0007","14.4401","0.0012","16.6058","0.0014","90","","92.109","0.001","90","","2083.3","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Ag2 Br4 N2 -","- C15 H20 Ag2 Br4 N2 -","- C60 H80 Ag8 Br16 N8 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0302","0.0216","","","0.0462","0.0488","","","","","","1.026","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207846","8.1005","0.001","11.1349","0.0013","11.5011","0.0013","107.703","0.002","96.284","0.002","90.253","0.002","981.5","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Ag Br N4 S2 -","- C18 H16 Ag Br N4 S2 -","- C36 H32 Ag2 Br2 N8 S4 -","2","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0687","0.0451","","","0.1101","0.1211","","","","","","1.082","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207847","8.6394","0.0006","9.1974","0.0006","13.6575","0.001","90","","98.458","0.006","90","","1073.42","0.13","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Ag2 Br2 I0 N6 O0 S2 -","- C14 H20 Ag2 Br2 N6 S2 -","- C28 H40 Ag4 Br4 N12 S4 -","2","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0797","0.0694","","","0.1681","0.1764","","","","","","1.068","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207848","18.071","0.002","7.2152","0.0008","8.8573","0.0014","90","","108.136","0.015","90","","1097.5","0.3","291.15","","291.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H10 Ag Br2 N2 -","- C6 H3 Ag Br2 N2 -","- C24 H12 Ag4 Br8 N8 -","4","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.7107","MoKα","","0.0542","0.0463","","","0.1385","0.1451","","","","","","1.094","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207849","18.2976","0.0014","18.9067","0.0006","13.4284","0.0009","90","","132.716","0.013","90","","3413.2","0.8","291","2","291.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H30 Ag4 I6 N2 -","- C20 H30 Ag4 I6 N2 -","- C80 H120 Ag16 I24 N8 -","4","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.7107","MoKα","","0.0615","0.0427","","","0.1359","0.153","","","","","","1.001","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207850","9.708","0.0004","14.111","0.0009","16.579","0.001","72.751","0.002","87.723","0.004","71.095","0.003","2048","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C65.6 H61.5 Cu2 N2 O10.8 -","- C68.6 H52.6 Cu2 N2 O9.8 -","- C68.6 H52.6 Cu2 N2 O9.8 -","1","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1103","0.0751","","","0.1955","0.2095","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207851","23.32","0.003","9.5701","0.0014","26.478","0.004","90","","103.799","0.002","90","","5738.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H29 Cu N O4.5 -","- C29 H25 Cu N O4 -","- C232 H200 Cu8 N8 O32 -","8","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.7848","Synchrotron","","0.1143","0.0768","","","0.214","0.234","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207852","23.043","0.01","9.582","0.004","26.852","0.011","90","","104.624","0.007","90","","5737","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H62 N4 O10 Zn2 -","- C64 H62 N4 O10 Zn2 -","- C256 H248 N16 O40 Zn8 -","4","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.7749","Synchrotron","","0.0804","0.0423","","","0.0781","0.0866","","","","","","1.032","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207853","18.775","0.001","18.775","0.001","19.672","0.003","90","","90","","90","","6934.4","1.2","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H10 Cu I2 N O4 -","- C16 H10 Cu I2 N O4 -","- C256 H160 Cu16 I32 N16 O64 -","16","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1125","0.0668","","","0.175","0.189","","","","","","1.06","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207854","12.797","0.0005","12.797","0.0005","39.098","0.0018","90","","90","","90","","6402.8","0.5","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C46 H38 Cu2 I4 N3 O10 -","- C32 H19 Cu2 I4 N3 O8 -","- C128 H76 Cu8 I16 N12 O32 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1056","0.0786","","","0.2418","0.2617","","","","","","1.078","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207855","12.4072","0.0008","12.4082","0.0007","33.608","0.002","87.891","0.002","88.473","0.002","83.785","0.002","5138.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C87.5 H101.5 I8 N10.5 O22.5 Zn4 -","- C87.5 H101.5 I8 N10.5 O22.5 Zn4 -","- C175 H203 I16 N21 O45 Zn8 -","2","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.7749","Synchrotron","","0.1137","0.0764","","","0.1937","0.221","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207856","15.603","0.0002","11.126","0.0001","29.859","0.0003","90","","90.711","0.001","90","","5183.09","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 Cu N2 O8 -","- C64 H58 Cu N2 O8 -","- C256 H232 Cu4 N8 O32 -","4","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.0532","0.0391","","","0.0837","0.0906","","","","","","1.04","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207857","25.733","0.0006","13.582","0.0003","17.299","0.0004","90","","106.939","0.001","90","","5783.8","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H52 N4 O8 Zn2 -","- C72 H52 N4 O8 Zn2 -","- C288 H208 N16 O32 Zn8 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1073","0.0561","","","0.1289","0.1506","","","","","","1.022","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207858","26.786","0.0007","24.706","0.0007","7.437","0.0002","90","","104.858","0.002","90","","4757.1","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 I2 N2 O4 Zn -","- C24 H16 I2 N2 O4 Zn -","- C192 H128 I16 N16 O32 Zn8 -","8","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.0965","0.0591","","","0.159","0.1728","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207859","14.749","0.002","14.749","0.002","22.313","0.005","90","","90","","90","","4853.8","1.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C39 H38 N6 O27.5 Zn4 -","- C39 H27 N6 O27.5 Zn4 -","- C156 H108 N24 O110 Zn16 -","4","0.5","","He, Jianghong; Zhang, Guangju; Xiao, Dongrong; Chen, Haiyan; Yan, Shiwei; Wang, Xin; Yang, Juan; Wang, Enbo","Helicity controlled by the chirality of amino acid: two novel enantiopure chiral 3D architectures containing fivefold interwoven helices","CrystEngComm","2012","14","10","3609","","10.1039/c2ce25038a","","","0.71073","MoKα","","0.1169","0.0785","","","0.1411","0.1572","","","","","","1.201","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207860","14.672","0.002","14.672","0.002","22.225","0.004","90","","90","","90","","4784.3","1.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C39 H38 N6 O27.5 Zn4 -","- C39 H38 N6 O27.5 Zn4 -","- C156 H152 N24 O110 Zn16 -","4","0.5","","He, Jianghong; Zhang, Guangju; Xiao, Dongrong; Chen, Haiyan; Yan, Shiwei; Wang, Xin; Yang, Juan; Wang, Enbo","Helicity controlled by the chirality of amino acid: two novel enantiopure chiral 3D architectures containing fivefold interwoven helices","CrystEngComm","2012","14","10","3609","","10.1039/c2ce25038a","","","0.71073","MoKα","","0.1264","0.0756","","","0.1662","0.1876","","","","","","1.268","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207861","10.1534","0.0013","10.1725","0.0013","11.357","0.0014","114.956","0.001","90.045","0.002","118.918","0.001","899.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Cd N3 O7 -","- C15 H19 Cd N3 O7 -","- C30 H38 Cd2 N6 O14 -","2","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0344","0.0324","","","0.0831","0.0843","","","","","","1.005","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207862","10.262","0.004","17.1","0.007","10.488","0.005","90","","119.16","0.005","90","","1607.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Cd2 N4 O17 -","- C24 H24 Cd2 N4 O17 -","- C48 H48 Cd4 N8 O34 -","2","0.5","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0423","0.0399","","","0.1086","0.1108","","","","","","1.119","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207863","9.1431","0.0007","10.1077","0.0008","15.6537","0.0018","95.19","0.001","91.944","0.001","116.712","0.001","1282.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Cd4 N8 O21 -","- C48 H40 Cd4 N8 O21 -","- C48 H40 Cd4 N8 O21 -","1","0.5","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0533","0.0351","","","0.0578","0.0614","","","","","","0.893","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207864","6.3889","0.0004","11.0946","0.0007","16.6876","0.001","90","","95.688","0.001","90","","1177.03","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N2 O4 Zn -","- C12 H8 N2 O4 Zn -","- C48 H32 N8 O16 Zn4 -","4","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0391","0.0286","","","0.0641","0.0665","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207865","10.1525","0.001","13.559","0.0014","17.9533","0.0019","90","","90","","90","","2471.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O5 Zn -","- C12 H10 N2 O5 Zn -","- C96 H80 N16 O40 Zn8 -","8","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0404","0.0333","","","0.0881","0.091","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207866","25.264","0.009","7.313","0.003","16.584","0.006","90","","122.616","0.004","90","","2580.8","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H40 Ge2 N8 S6 -","- C12 H40 Ge2 N8 S6 -","- C48 H160 Ge8 N32 S24 -","4","0.5","","Liu, Xing; Hu, Feilong; Zhou, Jian; An, Litao; Liang, Dawen; Lin, Jianwu","Solvothermal synthesis, crystal structures and properties of three new thiogermanates: the only example of the thiogermanate anion [Ge2S6]4− as a bridging ligand to a lanthanide complex ion","CrystEngComm","2012","14","10","3464","","10.1039/c2ce25082a","","","0.71073","MoKα","","0.0438","0.038","","","0.0943","0.1035","","","","","","1.036","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207867","11.567","0.005","14.633","0.006","14.465","0.006","90","","96.434","0.004","90","","2432.9","1.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Cl Eu Ge N9 S3 -","- C12 H39 Cl Eu Ge N9 S3 -","- C48 H156 Cl4 Eu4 Ge4 N36 S12 -","4","1","","Liu, Xing; Hu, Feilong; Zhou, Jian; An, Litao; Liang, Dawen; Lin, Jianwu","Solvothermal synthesis, crystal structures and properties of three new thiogermanates: the only example of the thiogermanate anion [Ge2S6]4− as a bridging ligand to a lanthanide complex ion","CrystEngComm","2012","14","10","3464","","10.1039/c2ce25082a","","","0.71073","MoKα","","0.0302","0.0278","","","0.0677","0.0694","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207868","19.638","0.004","14.415","0.003","16.91","0.003","90","","122.47","0.03","90","","4038.6","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H61.5 N12.5 O3 S6 Sn2 Y2 -","- C16 H46 Ge2 N10 O2 S6 Y2 -","- C64 H184 Ge8 N40 O8 S24 Y8 -","4","0.5","","Liu, Xing; Hu, Feilong; Zhou, Jian; An, Litao; Liang, Dawen; Lin, Jianwu","Solvothermal synthesis, crystal structures and properties of three new thiogermanates: the only example of the thiogermanate anion [Ge2S6]4− as a bridging ligand to a lanthanide complex ion","CrystEngComm","2012","14","10","3464","","10.1039/c2ce25082a","","","0.71073","MoKα","","0.1715","0.0726","","","0.1746","0.1976","","","","","","0.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207869","31.3656","0.0007","14.1509","0.0006","12.4299","0.0005","90","","99.607","0.003","90","","5439.7","0.3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C44 H104 N26 Nd2 O78 S8 U4 -","- C44 H88 N26 Nd2 O78 S8 U4 -","- C88 H176 N52 Nd4 O156 S16 U8 -","2","0.25","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0582","0.0379","","","0.0966","0.1035","","","","","","0.988","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207870","31.1056","0.0012","14.174","0.0003","20.8484","0.0008","90","","93.8479","0.0017","90","","9171.1","0.5","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H86 Dy1.5 N26.5 O66.5 S6 U4 -","- C42 H74 Dy1.5 N26.5 O66.5 S6 U4 -","- C168 H296 Dy6 N106 O266 S24 U16 -","4","0.5","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0589","0.0399","","","0.1033","0.1098","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207871","31.0881","0.0009","14.1832","0.0003","20.8347","0.0005","90","","93.8691","0.0015","90","","9165.7","0.4","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H86 Er1.5 N26.5 O66.5 S6 U4 -","- C42 H74 Er1.5 N26.5 O66.5 S6 U4 -","- C168 H296 Er6 N106 O266 S24 U16 -","4","0.5","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0559","0.0373","","","0.0906","0.097","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207872","31.1082","0.0012","14.1633","0.0004","20.7953","0.0008","90","","93.892","0.002","90","","9141.2","0.6","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H86 N26.5 O66.5 S6 U4 Yb1.5 -","- C42 H74 N26.5 O66.5 S6 U4 Yb1.5 -","- C168 H296 N106 O266 S24 U16 Yb6 -","4","0.5","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0688","0.0428","","","0.1038","0.1119","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207873","11.501","0.002","14.424","0.003","28.959","0.006","90","","90","","90","","4804","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 N12 Ni4 O24 -","- C40 H36 N12 Ni4 O24 -","- C160 H144 N48 Ni16 O96 -","4","1","","Zheng, Wenxu; Wei, Yongqin; Tian, Chong-bin; Xiao, Xueying; Wu, Kechen","Spontaneous resolution of a homochiral helix built from a tetra-nuclear nickel cluster","CrystEngComm","2012","14","10","3347","","10.1039/c2ce25108f","","","0.71073","MoKα","","0.0536","0.0336","","","0.0376","0.0389","","","","","","0.953","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207874","11.4952","0.0005","14.4352","0.0005","28.9218","0.0014","90","","90","","90","","4799.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 N12 Ni4 O24 -","- C40 H36 N12 Ni4 O24 -","- C160 H144 N48 Ni16 O96 -","4","1","","Zheng, Wenxu; Wei, Yongqin; Tian, Chong-bin; Xiao, Xueying; Wu, Kechen","Spontaneous resolution of a homochiral helix built from a tetra-nuclear nickel cluster","CrystEngComm","2012","14","10","3347","","10.1039/c2ce25108f","","","0.71073","MoKα","","0.0312","0.0284","","","0.0505","0.0515","","","","","","1.005","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207875","38.6025","0.0014","5.7352","0.0002","6.3225","0.0003","90","","94.318","0.002","90","","1395.78","0.1","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H34 Cu O10 -","- C28 H34 Cu O10 -","- C56 H68 Cu2 O20 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0548","0.0498","","","0.131","0.1352","","","","","","1.06","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207876","29.5909","0.0005","7.4519","0.0002","6.2317","0.0001","90","","90.979","0.002","90","","1373.94","0.05","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H32 O9 Zn -","- C28 H32 O9 Zn -","- C56 H64 O18 Zn2 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0449","0.0366","","","0.0866","0.1075","","","","","","1.037","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207877","47.055","0.004","6.1619","0.0005","8.4473","0.0007","90","","100.263","0.003","90","","2410.1","0.3","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H28 Cd O7 -","- C28 H28 Cd O7 -","- C112 H112 Cd4 O28 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0253","0.0241","","","0.0593","0.0602","","","","","","1.033","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207878","8.909","0.005","8.91","0.005","20.68","0.005","90.753","0.005","99.662","0.005","99.077","0.005","1596.7","1.3","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H42 Ni O14 -","- C28 H42 Ni O14 -","- C56 H84 Ni2 O28 -","2","2","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71069","MoKα","","0.1249","0.0812","","","0.2019","0.2288","","","","","","1.256","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207879","28.998","0.012","5.76","0.002","8.162","0.003","90","","92.364","0.005","90","","1362.1","0.9","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H32 Cd O9 -","- C28 H32 Cd O9 -","- C56 H64 Cd2 O18 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0518","0.0436","","","0.0984","0.1064","","","","","","1.006","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207880","15.6189","0.0009","11.2218","0.0007","9.7123","0.0006","90","","90","","90","","1702.3","0.18","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H6 Ag2 Cl2 N8 O8 -","- C10 H6 Ag2 Cl2 N8 O8 -","- C40 H24 Ag8 Cl8 N32 O32 -","4","0.5","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0429","0.04","","","0.106","0.109","","","1.122","","","1.082","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207881","10.484","0.002","16.466","0.003","18.343","0.004","90","","90","","90","","3166.5","1.1","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H9 Ag Cl N9 O4 -","- C12 H9 Ag Cl N9 O4 -","- C96 H72 Ag8 Cl8 N72 O32 -","8","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.1061","0.0603","","","0.1457","0.176","","","1.008","","","1.009","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207882","7.5876","0.0003","11.6328","0.0006","13.6088","0.0007","99.735","0.002","99.024","0.002","94.537","0.002","1162.33","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H11 Ag2 N15 -","- C20 H11 Ag2 N15 -","- C40 H22 Ag4 N30 -","2","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0247","0.0216","","","0.0529","0.0578","","","","","","1.095","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207883","6.9167","0.0005","8.5461","0.0005","16.9167","0.0012","90","","95.348","0.002","90","","995.61","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 Ag N7 -","- C9 H3 Ag N7 -","- C36 H12 Ag4 N28 -","4","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0369","0.0318","","","0.1076","0.1168","","","0.941","","","0.941","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207884","8.3748","0.0003","13.6582","0.0005","19.0224","0.0007","74.578","0.002","78.091","0.002","77","0.002","2018.74","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Ag N7 O3 -","- C12 H8 Ag N7 O3 -","- C72 H48 Ag6 N42 O18 -","6","3","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.069","0.0589","","","0.1073","0.1113","","","","","","1.251","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207885","18.1292","0.0006","7.8219","0.0002","11.7806","0.0004","90","","121.711","0.001","90","","1421.15","0.08","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N8 O6 -","- C12 H10 N8 O6 -","- C48 H40 N32 O24 -","4","0.5","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0387","0.0356","","","0.0882","0.0912","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207886","16.566","0.015","8.573","0.008","18.719","0.017","90","","101.7","0.02","90","","2603","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N4 O12 P2 Zn3 -","- C18 H20 N4 O12 P2 Zn3 -","- C72 H80 N16 O48 P8 Zn12 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities and luminescence of two metal phosphonates","CrystEngComm","2012","14","10","3478","","10.1039/c2ce25279a","","","0.71073","MoKα","","0.1138","0.088","","","0.2038","0.2228","","","","","","1.074","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207887","8.9939","0.0002","10.8591","0.0005","14.3633","0.0003","88.893","0.006","74.348","0.005","84.146","0.005","1343.69","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 N4 O13 P2 Pb3 -","- C18 H26 N4 O13 P2 Pb3 -","- C36 H52 N8 O26 P4 Pb6 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities and luminescence of two metal phosphonates","CrystEngComm","2012","14","10","3478","","10.1039/c2ce25279a","","","0.71073","MoKα","","0.0331","0.0268","","","0.0484","0.0507","","","","","","1.054","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207888","9.9552","0.0011","14.2894","0.0016","8.1057","0.0009","90","","101.783","0.002","90","","1128.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-phenyldithienopyrrole","N-phenyldithieno[3,2-b:2',3'-d]pyrrole","","- C14 H9 N S2 -","- C14 H9 N S2 -","- C56 H36 N4 S8 -","4","1","","Evenson, Sean J.; Pappenfus, Ted M.; Delgado, M. Carmen Ruiz; Radke-Wohlers, Karla R; Navarrete, J T López; Rasmussen, Seth C.","Molecular tuning in highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligomers: effects of N-functionalization and terminal aryl unit.","Physical chemistry chemical physics : PCCP","2012","14","17","6101","6111","10.1039/c2cp40161d","","","0.71073","MoKα","","0.0298","0.0267","","","0.0699","0.0721","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207889","10.8666","0.0003","22.8858","0.0006","7.4246","0.0002","90","","90","","90","","1846.43","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-Phenyl-2,6-bis(2-thienyl)dithieno[3,2-b:2?3?-d]pyrrole","","- C22 H13 N S4 -","- C22 H13 N S4 -","- C88 H52 N4 S16 -","4","1","","Evenson, Sean J.; Pappenfus, Ted M.; Delgado, M. Carmen Ruiz; Radke-Wohlers, Karla R; Navarrete, J T López; Rasmussen, Seth C.","Molecular tuning in highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligomers: effects of N-functionalization and terminal aryl unit.","Physical chemistry chemical physics : PCCP","2012","14","17","6101","6111","10.1039/c2cp40161d","","","1.54178","CuKα","","0.032","0.0306","","","0.0796","0.0809","","","","","","1.066","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207890","8.9068","0.0006","21.4647","0.0014","9.5892","0.0006","90","","108.726","0.001","90","","1736.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2,6-Dibromo-N-octanoyldithienopyrrole","2,6-Dibromo-N-octanoyldithieno[3,2-b:2',3'-d]pyrrole","","- C16 H17 Br2 N O S2 -","- C16 H17 Br2 N O S2 -","- C64 H68 Br8 N4 O4 S8 -","4","1","","Evenson, Sean J.; Pappenfus, Ted M.; Delgado, M. Carmen Ruiz; Radke-Wohlers, Karla R; Navarrete, J T López; Rasmussen, Seth C.","Molecular tuning in highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligomers: effects of N-functionalization and terminal aryl unit.","Physical chemistry chemical physics : PCCP","2012","14","17","6101","6111","10.1039/c2cp40161d","","","0.71073","MoKα","","0.0218","0.0179","","","0.0416","0.0429","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207891","12.755","0.0004","13.8809","0.0005","16.4661","0.0006","104.344","0.0011","104.593","0.001","99.8816","0.001","2646.82","0.16","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C119 H104 N22 O12 Yb2 -","- C119 H104 N22 O12 Yb2 -","- C119 H104 N22 O12 Yb2 -","1","0.5","","Sanguineti, Alessandro; Monguzzi, Angelo; Vaccaro, Gianfranco; Meinardi, Franco; Ronchi, Elisabetta; Moret, Massimo; Cosentino, Ugo; Moro, Giorgio; Simonutti, Roberto; Mauri, Michele; Tubino, Riccardo; Beverina, Luca","NIR emitting ytterbium chelates for colourless luminescent solar concentrators","Physical Chemistry Chemical Physics","2012","14","18","6452","6455","10.1039/c2cp40791d","","","0.71075","MoKα","","0.0317","0.0299","","","0.0657","0.0668","","","","","","1.094","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207892","10.102","0.0003","12.5751","0.0004","16.8441","0.0006","71.39","0.003","75.122","0.004","79.674","0.005","1948.81","0.12","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N11 O6 Yb -","- C42 H32 N11 O6 Yb -","- C84 H64 N22 O12 Yb2 -","2","1","","Sanguineti, Alessandro; Monguzzi, Angelo; Vaccaro, Gianfranco; Meinardi, Franco; Ronchi, Elisabetta; Moret, Massimo; Cosentino, Ugo; Moro, Giorgio; Simonutti, Roberto; Mauri, Michele; Tubino, Riccardo; Beverina, Luca","NIR emitting ytterbium chelates for colourless luminescent solar concentrators","Physical Chemistry Chemical Physics","2012","14","18","6452","6455","10.1039/c2cp40791d","","","0.71075","MoKα","","0.0297","0.0284","","","0.0627","0.0634","","","","","","1.122","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207893","9.394","0.003","9.114","0.002","16.558","0.004","90","","104.714","0.003","90","","1371.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","Li, Jian; Liu, Yuejin; Li, Chunju; Jie, Haohua; Jia, Xueshun","Atom-economical synthesis of the functionalized spirocyclic oxindole-butenolide via three-component [2 + 2 + 1] cycloaddition strategy","Green Chemistry","2012","14","5","1314","","10.1039/c2gc00015f","","","0.71073","MoKα","","0.0502","0.0369","","","0.0893","0.0982","","","","","","1.058","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207894","8.897","0.011","12.592","0.016","13.863","0.017","99.404","0.016","108.029","0.017","95.241","0.018","1440","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 Cl N2 O4 -","- C29 H33 Cl N2 O4 -","- C58 H66 Cl2 N4 O8 -","2","1","","Li, Jian; Liu, Yuejin; Li, Chunju; Jie, Haohua; Jia, Xueshun","Atom-economical synthesis of the functionalized spirocyclic oxindole-butenolide via three-component [2 + 2 + 1] cycloaddition strategy","Green Chemistry","2012","14","5","1314","","10.1039/c2gc00015f","","","0.71073","MoKα","","0.1203","0.0708","","","0.1741","0.2046","","","","","","1.036","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207895","24.11","0.01","17.011","0.009","33.45","0.02","90","","91.57","0.04","90","","13714","12","","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5,7-tetrakis[4-(diacetoxyiodo)phenyl]adamantane","","- C50 H56 I4 O18 -","- C50 H52 I4 O18 -","- C400 H416 I32 O144 -","8","1","","Dohi, Toshifumi; Fukushima, Kei-ichiro; Kamitanaka, Tohru; Morimoto, Koji; Takenaga, Naoko; Kita, Yasuyuki","An excellent dual recycling strategy for the hypervalent iodine/nitroxyl radical mediated selective oxidation of alcohols to aldehydes and ketones","Green Chemistry","2012","14","5","1493","","10.1039/c2gc16632a","","","","","","0.097","0.067","","","","0.181","","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207896","9.4865","0.0004","9.9343","0.0004","10.5514","0.0005","114.009","0.002","113.796","0.002","90.405","0.002","813.5","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C40 H38 N6 -","2","1","","Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda","Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor–donor–acceptor–acceptor systems and acceptor–donor–acceptor triads","Green Chemistry","2012","14","5","1376","","10.1039/c2gc16641k","","","0.71073","MoKα","","0.0697","0.0506","","","0.1486","0.161","","","","","","1.29","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207897","25.1335","0.0006","12.37744","0.00018","13.4158","0.0003","90","","119.443","0.003","90","","3634.47","0.17","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N5 O2 -","- C19 H15 N5 O2 -","- C152 H120 N40 O16 -","8","1","","Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda","Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor–donor–acceptor–acceptor systems and acceptor–donor–acceptor triads","Green Chemistry","2012","14","5","1376","","10.1039/c2gc16641k","","","1.54184","CuKα","","0.0543","0.0445","","","0.1163","0.125","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207898","20.561","0.002","7.228","0.0008","24.638","0.003","90","","112.873","0.001","90","","3373.7","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C160 H112 N32 -","8","2","","Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda","Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor–donor–acceptor–acceptor systems and acceptor–donor–acceptor triads","Green Chemistry","2012","14","5","1376","","10.1039/c2gc16641k","","","0.71073","MoKα","","0.0746","0.0457","","","0.1508","0.2011","","","","","","0.683","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207899","11.7899","0.0003","14.3124","0.0005","14.5079","0.0004","64.617","0.001","78.242","0.001","76.142","0.001","2133.06","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","2","","Das, Paramita; Butcher, Ray J.; Mukhopadhyay, Chhanda","Zinc titanate nanopowder: an advanced nanotechnology based recyclable heterogeneous catalyst for the one-pot selective synthesis of self-aggregated low-molecular mass acceptor–donor–acceptor–acceptor systems and acceptor–donor–acceptor triads","Green Chemistry","2012","14","5","1376","","10.1039/c2gc16641k","","","0.71073","MoKα","","0.0877","0.0514","","","0.1385","0.1578","","","","","","1.166","","","","has coordinates","301863","2025-08-22","13:07:28",""
"7207941","7.778","0.004","13.275","0.007","16.678","0.008","81.622","0.01","86.283","0.012","88.301","0.014","1699.7","1.5","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cu3 N5 O12 -","- C32 H23 Cu3 N5 O12 -","- C64 H46 Cu6 N10 O24 -","2","1","","Ma, Jie; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Shuquan; Xiong, Kecai; Han, Dong; Hong, Maochun","Temperature-controlled reduction of Cu(ii) and structural transformation on the assembly of coordination network","CrystEngComm","2012","14","12","4181","","10.1039/c2ce00004k","","","0.71073","MoKα","","0.0495","0.0412","","","0.1127","0.1206","","","","","","1.046","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207942","23.039","0.002","8.756","0.0006","21.7481","0.0019","90","","109.477","0.005","90","","4136.2","0.6","293.15","","293.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28.5 H22.5 Cu2 N4.5 O13.5 -","- C28.5 H22.5 Cu2 N4.5 O13.5 -","- C114 H90 Cu8 N18 O54 -","4","1","","Ma, Jie; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Shuquan; Xiong, Kecai; Han, Dong; Hong, Maochun","Temperature-controlled reduction of Cu(ii) and structural transformation on the assembly of coordination network","CrystEngComm","2012","14","12","4181","","10.1039/c2ce00004k","","","0.71073","MoKα","","0.0785","0.0678","","","0.1918","0.2056","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207943","9.35","0.002","9.826","0.002","26.846","0.007","80.603","0.005","86.257","0.005","75.615","0.005","2356.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H37 N3 O6 -","- C20 H37 N3 O6 -","- C80 H148 N12 O24 -","4","2","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Luminescent nanoparticles from tripeptide–CdS conjugate","CrystEngComm","2012","14","11","4034","","10.1039/c2ce05786g","","","0.71073","MoKα","","0.1415","0.0998","","","0.2467","0.2779","","","","","","1.036","","","","has coordinates,has disorder","301863","2025-08-22","13:07:28",""
"7207944","9.3487","0.0008","24.295","0.003","9.7998","0.0011","90","","102.135","0.003","90","","2176.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 N3 O6 -","- C18 H33 N3 O6 -","- C72 H132 N12 O24 -","4","1","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Luminescent nanoparticles from tripeptide–CdS conjugate","CrystEngComm","2012","14","11","4034","","10.1039/c2ce05786g","","","0.71073","MoKα","","0.0893","0.0601","","","0.1761","0.2076","","","","","","0.867","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207945","10.687","0.002","12.122","0.002","15.549","0.003","90","","90","","90","","2014.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F N O -","- C25 H22 F N O -","- C100 H88 F4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0919","0.0471","","","0.0836","0.0976","","","","","","1.006","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207946","10.6982","0.0008","12.1633","0.0009","15.7632","0.0012","90","","90","","90","","2051.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Cl N O -","- C25 H22 Cl N O -","- C100 H88 Cl4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0922","0.049","","","0.0887","0.102","","","","","","1.015","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207947","10.6828","0.0006","12.1716","0.0007","15.9646","0.0009","90","","90","","90","","2075.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br N O -","- C25 H22 Br N O -","- C100 H88 Br4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0552","0.0356","","","0.0666","0.0707","","","","","","0.898","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207948","8.2095","0.0005","14.0391","0.0008","19.7711","0.0012","90","","90","","90","","2278.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 F N O -","- C29 H24 F N O -","- C116 H96 F4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0662","0.046","","","0.0994","0.108","","","","","","1.032","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207949","10.752","0.0007","13.373","0.0017","16.005","0.003","90","","90","","90","","2301.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N O -","- C29 H24 Cl N O -","- C116 H96 Cl4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1217","0.0579","","","0.0968","0.1191","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207950","10.783","0.0005","13.494","0.0019","15.938","0.002","90","","90","","90","","2319.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Br N O -","- C29 H24 Br N O -","- C116 H96 Br4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1258","0.0517","","","0.1021","0.1264","","","","","","1.088","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207951","15.51","0.003","15.661","0.003","17.891","0.004","90","","90","","90","","4345.8","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C208 H200 N8 O16 -","8","2","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1532","0.0499","","","0.0849","0.1114","","","","","","0.931","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207952","13.006","0.0013","13.637","0.0014","14.104","0.0015","79.971","0.0017","64.389","0.0015","71.276","0.0015","2134.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H33 N2 O18 Zn3 -","- C45 H33 N2 O18 Zn3 -","- C90 H66 N4 O36 Zn6 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun","Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands","CrystEngComm","2012","14","12","4205","","10.1039/c2ce06451k","","","0.71069","MoKα","","0.1262","0.0629","","","0.126","0.1682","","","","","","1.065","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207953","10.005","0.002","11.303","0.003","12.206","0.003","100.797","0.003","107.308","0.004","98.944","0.004","1261.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cd N4 O6 -","- C28 H24 Cd N4 O6 -","- C56 H48 Cd2 N8 O12 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun","Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands","CrystEngComm","2012","14","12","4205","","10.1039/c2ce06451k","","","0.71069","MoKα","","0.0864","0.0558","","","0.1265","0.1411","","","","","","1.002","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207954","9.361","0.0019","12.713","0.0019","12.755","0.003","111.843","0.002","105.938","0.002","97.104","0.002","1310.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N4 O8 -","- C26 H20 Cd N4 O8 -","- C52 H40 Cd2 N8 O16 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun","Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands","CrystEngComm","2012","14","12","4205","","10.1039/c2ce06451k","","","0.71069","MoKα","","0.1223","0.0611","","","0.0947","0.1074","","","","","","1.007","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207955","39.477","0.012","21.751","0.006","26.908","0.015","90","","131.554","0.002","90","","17290","12","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C138 H132 Cl Cs N64 O59 -","- C138 H132 Cl Cs N64 O59 -","- C552 H528 Cl4 Cs4 N256 O236 -","4","0.5","","Chen, Kai; Liang, Li-Li; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","p-Hydroxybenzoic acid-induced formation of a novel framework based on direct coordination of caesium ions to cucurbit[8]uril","CrystEngComm","2012","14","11","3862","","10.1039/c2ce06505c","","","0.71073","MoKα","","0.1334","0.1089","","","0.3201","0.3432","","","","","","1.377","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207956","12.9555","0.0002","22.6337","0.0004","20.6389","0.0004","90","","94.147","0.002","90","","6036.12","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H46 N19 O23 Tb -","- C60 H42 N19 O23 Tb -","- C240 H168 N76 O92 Tb4 -","4","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","0.71073","MoKα","","0.0421","0.0352","","","0.0816","0.0855","","","","","","1.015","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207957","19.5224","0.0003","19.5224","0.0003","8.4283","0.0002","90","","90","","120","","2781.87","0.09","150","2","150","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C16 H16.33 N5.83 O5.17 Tb0.5 -","- C16 H15 N5.83333 O5.16667 Tb0.5 -","- C96 H90 N35 O31 Tb3 -","6","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0491","0.0425","","","0.114","0.118","","","","","","0.914","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207958","17.3716","0.0006","17.3716","0.0006","39.5287","0.0016","90","","90","","120","","10330.5","0.7","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H52 Eu2 N19 O21.5 -","- C48 H45 Eu2 N19 O21.51 -","- C288 H270 Eu12 N114 O129.06 -","6","0.333333","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0948","0.0838","","","0.207","0.2139","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207959","12.986","0.0002","22.6333","0.0004","20.6359","0.0003","90","","94.335","0.002","90","","6047.87","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H46 Eu N19 O23 -","- C60 H42 Eu N19 O23 -","- C240 H168 Eu4 N76 O92 -","4","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","0.71073","MoKα","","0.0441","0.0361","","","0.0814","0.0857","","","","","","1.032","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207960","19.5543","0.0004","19.5543","0.0004","8.4847","0.0003","90","","90","","120","","2809.65","0.13","150","2","150","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C16 H16.33 Eu0.5 N5.83 O5.17 -","- C16 H15 Eu0.5 N5.83333 O5.16667 -","- C96 H90 Eu3 N35 O31 -","6","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.1286","0.1237","","","0.2792","0.2821","","","","","","1.103","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207961","17.3754","0.0007","17.3754","0.0007","39.4344","0.0019","90","","90","","120","","10310.4","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H52 N19 O21.5 Tb2 -","- C48 H40.5 N19 O21.5 Tb2 -","- C288 H243 N114 O129 Tb12 -","6","0.333333","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0948","0.0732","","","0.1825","0.1936","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207962","11.1502","0.0003","13.5449","0.0002","14.6921","0.0002","113.808","0.001","101.505","0.001","100.238","0.001","1904.99","0.07","151","2","151","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 N6 Ni O7 -","- C44 H31 N6 Ni O7 -","- C88 H62 N12 Ni2 O14 -","2","1","","Ke, Chun-Hung; Lee, Hon Man","Nickel coordination polymers with {48.62} and bnn topologies constructed from common square-pyramidal 5-connected nodes","CrystEngComm","2012","14","12","4157","","10.1039/c2ce06634c","","x-ray","0.71073","MoKα","","0.0571","0.0464","","","0.1122","0.1216","","","","","","0.975","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207963","9.2237","0.0018","11.182","0.002","19.434","0.005","99.623","0.018","94.382","0.019","114.218","0.012","1778.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 N12 Ni2 O17 S2 -","- C76 H56 N12 Ni2 O17 S2 -","- C76 H56 N12 Ni2 O17 S2 -","1","0.5","","Ke, Chun-Hung; Lee, Hon Man","Nickel coordination polymers with {48.62} and bnn topologies constructed from common square-pyramidal 5-connected nodes","CrystEngComm","2012","14","12","4157","","10.1039/c2ce06634c","","x-ray","0.71073","MoKα","","0.1226","0.057","","","0.129","0.1592","","","","","","0.938","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207964","19.3929","0.001","12.5914","0.0006","7.589","0.0003","90","","107.013","0.002","90","","1772.02","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cu2 N2 O5 -","- C6 H2 Cu2 N2 O5 -","- C48 H16 Cu16 N16 O40 -","8","1","","Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar","Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation","CrystEngComm","2012","14","12","4153","","10.1039/c2ce06701c","","","0.71073","MoKα","","0.0918","0.0697","","","0.1771","0.1991","","","","","","0.997","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207965","19.3848","0.0004","12.5209","0.0002","7.7134","0.0002","90","","107.822","0.001","90","","1782.32","0.07","455","2","455","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cu2 N2 O4 -","- C6 H2 Cu2 N2 O4 -","- C48 H16 Cu16 N16 O32 -","8","1","","Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar","Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation","CrystEngComm","2012","14","12","4153","","10.1039/c2ce06701c","","","0.71073","MoKα","","0.0942","0.0764","","","0.1746","0.1834","","","","","","1.578","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207966","19.4082","0.0004","12.5929","0.0002","7.5885","0.0002","90","","107.034","0.001","90","","1773.31","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cu2 N2 O4.83 -","- C6 H2 Cu2 N2 O4.83 -","- C48 H16 Cu16 N16 O38.64 -","8","1","","Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar","Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation","CrystEngComm","2012","14","12","4153","","10.1039/c2ce06701c","","","0.71073","MoKα","","0.0813","0.0695","","","0.1625","0.1714","","","","","","1.086","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207967","11.3426","0.0002","9.4653","0.0002","11.4987","0.0003","90","","102.212","0.002","90","","1206.58","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl N2 O8 -","- C9 H9 Cl N2 O7.812 -","- C36 H36 Cl4 N8 O31.248 -","4","1","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long","Anion‒π interactions in new electron-deficient π systems: the relevance to solid phosphorescent colors","CrystEngComm","2012","14","11","3923","","10.1039/c2ce06702a","","","1.54184","CuKα","","0.084","0.0832","","","0.2127","0.2133","","","","","","1.064","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207968","8.1069","0.0016","9.2546","0.0019","9.999","0.002","64.91","0.03","74.11","0.03","69.67","0.03","630","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl N2 O5 -","- C10 H10 Cl N2 O5 -","- C20 H20 Cl2 N4 O10 -","2","1","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long","Anion‒π interactions in new electron-deficient π systems: the relevance to solid phosphorescent colors","CrystEngComm","2012","14","11","3923","","10.1039/c2ce06702a","","","0.71073","MoKα","","0.0842","0.0775","","","0.1904","0.1946","","","","","","1.079","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207969","6.8215","0.0014","11.724","0.002","11.57","0.002","90","","103.04","0.03","90","","901.5","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H15 Cl N4 O7 -","- C18 H14 Cl N4 O7 -","- C36 H28 Cl2 N8 O14 -","2","0.5","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long","Anion‒π interactions in new electron-deficient π systems: the relevance to solid phosphorescent colors","CrystEngComm","2012","14","11","3923","","10.1039/c2ce06702a","","","0.71073","MoKα","","0.2046","0.1628","","","0.4625","0.4937","","","","","","1.698","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207970","25.804","0.004","9.7779","0.0006","18.861","0.01","90","","136.399","0.012","90","","3282","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 N8 O9 Zn -","- C30 H36 N8 O9 Zn -","- C120 H144 N32 O36 Zn4 -","4","0.5","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0797","0.0681","","","0.2273","0.2404","","","","","","1.091","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207971","25.876","0.008","9.8293","0.0008","17.814","0.003","90","","133.12","0.03","90","","3307","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cd N8 O9 -","- C30 H36 Cd N8 O9 -","- C120 H144 Cd4 N32 O36 -","4","0.5","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0412","0.0344","","","0.0889","0.0923","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207972","12.5528","0.0006","10.2544","0.0004","15.8665","0.0011","90","","120.961","0.004","90","","1751.36","0.18","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl2 N8 O7 Zn2 -","- C30 H32 Cl2 N8 O7 Zn2 -","- C60 H64 Cl4 N16 O14 Zn4 -","2","0.5","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.046","0.0366","","","0.0841","0.088","","","","","","1.037","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207973","8.8844","0.0004","10.4799","0.0005","17.2726","0.0007","90","","98.368","0.004","90","","1591.09","0.12","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C15 H13 Cd Cl N4 O2 -","- C15 H13 Cd Cl N4 O2 -","- C60 H52 Cd4 Cl4 N16 O8 -","4","1","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0767","0.0515","","","0.0751","0.0778","","","","","","2.137","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207974","21.3069","0.0015","10.2826","0.0007","17.8765","0.0012","90","","99.143","0.007","90","","3866.8","0.5","296","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cd N4 O4 -","- C21 H16 Cd N4 O4 -","- C168 H128 Cd8 N32 O32 -","8","1","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0517","0.0338","","","0.0656","0.0716","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207975","9.96","0.004","13.429","0.006","19.779","0.007","90","","111.794","0.017","90","","2456.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cd N5 O6 -","- C26 H21 Cd N5 O6 -","- C104 H84 Cd4 N20 O24 -","4","1","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.0647","0.0469","","","0.1585","0.1856","","","","","","1.174","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7207976","18.181","0.005","22.175","0.005","18.45","0.005","90","","90","","90","","7438","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C70 H72 Cd3 N12 O20 S2 -","- C70 H60 Cd3 N12 O20 S2 -","- C280 H240 Cd12 N48 O80 S8 -","4","1","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71069","MoKα","","0.0538","0.0426","","","0.1208","0.1288","","","","","","1.021","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7207977","45.497","0.002","10.5235","0.0005","19.09","0.0009","90","","99.969","0.001","90","","9002.1","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H88 Co3 N16 O18 S2 -","- C88 H82 Co3 N16 O18 S2 -","- C352 H328 Co12 N64 O72 S8 -","4","0.5","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.0616","0.04","","","0.1016","0.1096","","","","","","1.09","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7207978","9.3568","0.0008","15.2796","0.0014","9.5459","0.0009","90","","116.517","0.001","90","","1221.19","0.19","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H24 Co N4 O5 -","- C26 H22 Co N4 O5 -","- C52 H44 Co2 N8 O10 -","2","0.5","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.036","0.0301","","","0.0785","0.0817","","","","","","1.082","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7207979","13.419","0.003","14.427","0.003","10.793","0.002","90","","90.773","0.003","90","","2089.3","0.7","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H26 Ag N5 O4 -","- C19 H26 Ag N5 O4 -","- C76 H104 Ag4 N20 O16 -","4","1","","Cheng, Lin; Zhang, Limin; Gou, Shaohua; Cao, Qingna; Wang, Jianquan; Fang, Lei","Metal-directed one-dimensional chiral zigzag chains and right-handed 61 helix with multiple chiral components: luminescence and NLO properties","CrystEngComm","2012","14","11","3888","","10.1039/c2ce25043h","","","0.71073","MoKα","","0.047","0.0457","","","0.1252","0.1264","","","","","","1.138","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207980","13.9773","0.0008","13.9773","0.0008","18.263","0.002","90","","90","","120","","3089.9","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C9 H13 Cu0.5 N2.5 O2 -","- C9 H13 Cu0.5 N2.5 O2 -","- C108 H156 Cu6 N30 O24 -","12","1","","Cheng, Lin; Zhang, Limin; Gou, Shaohua; Cao, Qingna; Wang, Jianquan; Fang, Lei","Metal-directed one-dimensional chiral zigzag chains and right-handed 61 helix with multiple chiral components: luminescence and NLO properties","CrystEngComm","2012","14","11","3888","","10.1039/c2ce25043h","","","0.71073","MoKα","","0.0515","0.0421","","","0.1163","0.1258","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207981","11.4823","0.0005","13.8691","0.0007","11.8073","0.0006","90","","113.293","0.0014","90","","1727.04","0.15","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 O8 S4 -","- C14 H11 O8 S4 -","- C56 H44 O32 S16 -","4","1","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0238","","","","0.0623","","","","","","1.055","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207982","10.9021","0.0005","29.581","0.0011","12.2738","0.0007","90","","94.688","0.0016","90","","3945","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 O14 S12 -","- C31 H21 O14 S12 -","- C124 H84 O56 S48 -","4","1","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0542","","","","0.0785","","","","","","1.074","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207983","12.084","0.003","20.891","0.004","15.674","0.004","90","","103.294","0.01","90","","3850.8","1.6","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C60 H41 O12 S32 -","- C60 H38 O12 S32 -","- C120 H76 O24 S64 -","2","0.5","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0319","","","","0.0815","","","","","","1.041","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207984","25.361","0.005","7.8374","0.0016","12.844","0.003","90","","90","","90","","2552.9","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H8 N16 O6 Pb4 -","- C16 H8 N16 O6 Pb4 -","- C64 H32 N64 O24 Pb16 -","4","1","","Sun, Jiayin; Zhang, Daojun; Wang, Li; Cao, Yu; Li, Da; Zhang, Liying; Song, Wei; Fan, Yong; Xu, Jianing","Two novel lead(ii)-tetrazolate frameworks based on cubane [Pb4(OH)4]4+ clusters trapping long lifetime luminescence emission","CrystEngComm","2012","14","11","3982","","10.1039/c2ce25078k","","","0.71073","MoKα","","0.0341","0.0306","","","0.0643","0.0659","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207985","13.4523","0.001","13.4523","0.001","14.525","0.0014","90","","90","","90","","2628.5","0.4","293","2","293","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C16 H12 N16 O6 Pb4 -","- C16 H12 N16 O6 Pb4 -","- C64 H48 N64 O24 Pb16 -","4","0.25","","Sun, Jiayin; Zhang, Daojun; Wang, Li; Cao, Yu; Li, Da; Zhang, Liying; Song, Wei; Fan, Yong; Xu, Jianing","Two novel lead(ii)-tetrazolate frameworks based on cubane [Pb4(OH)4]4+ clusters trapping long lifetime luminescence emission","CrystEngComm","2012","14","11","3982","","10.1039/c2ce25078k","","","0.71073","MoKα","","0.0927","0.0471","","","0.1109","0.1338","","","","","","1.072","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7207986","9.0277","0.0005","12.4356","0.0006","13.0643","0.0009","76.319","0.004","80.802","0.004","68.89","0.003","1324.9","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 I8 N2 Pb3 -","- C6 H12 I8 N2 Pb3 -","- C12 H24 I16 N4 Pb6 -","2","1","","Hou, Qin; Bai, Fu-Quan; Jia, Ming-Jun; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated chained and layered iodoplumbates","CrystEngComm","2012","14","11","4000","","10.1039/c2ce25102g","","","0.71073","MoKα","","0.1093","0.0667","","","0.1793","0.2149","","","","","","0.972","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207987","7.9629","0.0003","14.8833","0.0006","21.0907","0.001","90","","96.165","0.003","90","","2485.09","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 I6 N2 O Pb2 -","- C8 H18 I6 N2 O Pb2 -","- C32 H72 I24 N8 O4 Pb8 -","4","1","","Hou, Qin; Bai, Fu-Quan; Jia, Ming-Jun; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated chained and layered iodoplumbates","CrystEngComm","2012","14","11","4000","","10.1039/c2ce25102g","","","0.71073","MoKα","","0.0877","0.0447","","","0.1177","0.1364","","","","","","1.037","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207988","8.8807","0.0005","11.655","0.0007","14.2611","0.001","108.705","0.004","95.269","0.004","92.523","0.004","1387.99","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 I6 N2 O Pb2 -","- C10 H22 I6 N2 O Pb2 -","- C20 H44 I12 N4 O2 Pb4 -","2","1","","Hou, Qin; Bai, Fu-Quan; Jia, Ming-Jun; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated chained and layered iodoplumbates","CrystEngComm","2012","14","11","4000","","10.1039/c2ce25102g","","","0.71073","MoKα","","0.1045","0.0476","","","0.0827","0.0935","","","","","","1.028","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207989","7.977","","8.818","","15.252","","88.62","","79.86","","76.96","","1028.72","","200","2","200","2","","","","","","","","5","P -1","-P 1","2","nictotinic acid monoethylene glycol monomethyl ether silver nitrate","","","- C18 H22 Ag N3 O9 -","- C18 H22 Ag N3 O9 -","- C36 H44 Ag2 N6 O18 -","2","1","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","","0.71073","MoKα","","0.1905","0.1445","","","0.3917","0.4215","","","","","","1","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207990","12.512","0.003","14.026","0.003","18.4","0.004","90","","90.63","0.03","90","","3228.9","1.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Triethylene glycol monomethyl ether nicotinate silver hexafluorophosphat","","","- C26 H38 Ag F6 N2 O10 P -","- C26 H38 Ag F6 N2 O10 P -","- C104 H152 Ag4 F24 N8 O40 P4 -","4","0.5","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","x-ray","0.71073","mokα","","0.0563","0.044","","","0.1039","0.1095","","","","","","1.079","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207991","8.6012","0.0017","9.789","0.002","15.478","0.003","80.6","0.03","85.47","0.03","66.02","0.03","1174.6","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","monoethylene glycol monomethylether silver triflate","","","- C19 H22 Ag F3 N2 O9 S -","- C19 H22 Ag F3 N2 O9 S -","- C38 H44 Ag2 F6 N4 O18 S2 -","2","1","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","","0.71073","MoKα","","0.0286","0.0235","","","0.054","0.0559","","","","","","1.034","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207992","6.9425","0.0014","14.521","0.003","15.221","0.003","65.67","0.03","85.39","0.03","89.13","0.03","1393.4","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","silver triflatre monomethyl diethylene glycol","","","- C23 H30 Ag F3 N2 O11 S -","- C23 H30 Ag F3 N2 O11 S -","- C46 H60 Ag2 F6 N4 O22 S2 -","2","1","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","x-ray","0.71073","MoKα","","0.1489","0.1309","","","0.3167","0.3281","","","","","","1.152","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207993","21.783","0.006","11.251","0.002","15.826","0.004","90","","130.55","0.004","90","","2947.1","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O8.5 Zn -","- C11 H15 N3 O8.5 Zn -","- C88 H120 N24 O68 Zn8 -","8","1","","Cui, Yan-Feng; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","An unusual three-dimensional coordination network formed by parallel polythreading of two-fold polycatenated (6,3) layers","CrystEngComm","2012","14","12","4161","","10.1039/c2ce25113b","","","0.71075","MoKα","","0.0781","0.0533","","","0.0944","0.1032","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207994","11.1937","0.0005","9.8578","0.0002","20.458","0.0009","90","","91.604","0.002","90","","2256.56","0.15","150","","150","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C16 H48 Cu2 I5 O8 S8 Tb -","- C16 H48 Cu2 I5 O8 S8 Tb -","- C32 H96 Cu4 I10 O16 S16 Tb2 -","2","0.5","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.0669","0.0512","","0.1631","0.1348","0.1631","","","","","","0.9636","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207995","11.0023","0.0002","12.948","0.0002","17.0582","0.00029","79.5186","0.0011","73.0295","0.0011","73.5139","0.001","2215.66","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H56 Cu I4 N8 O8 Tb -","- C24 H56 Cu I4 N8 O8 Tb -","- C48 H112 Cu2 I8 N16 O16 Tb2 -","2","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.0387","0.0292","","0.0748","0.0625","0.0748","","","","","","0.9046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207996","10.8626","0.0005","11.9515","0.0005","18.3798","0.0008","86.195","0.003","87.561","0.003","87.005","0.003","2375.8","0.18","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H54 Cu I4 O9 S9 Tb -","- C18 H54 Cu I4 O9 S9 Tb -","- C36 H108 Cu2 I8 O18 S18 Tb2 -","2","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.7107","MoKα","","0.0596","0.0519","","0.111","0.1004","0.111","","","","","","1.0253","","","","has coordinates,has disorder","301863","2025-08-22","13:07:29",""
"7207997","19.474","0.001","18.597","0.001","12.222","0.002","90","","90","","90","","4426.3","0.8","110","","110","","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C16 H48 I5 O8 S8 Tb -","- C16 H48 I5 O8 S8 Tb -","- C64 H192 I20 O32 S32 Tb4 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.7107","MoKα","","0.1141","0.1006","","0.1739","0.1689","0.1739","","","","","","1.0551","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7207998","13.83","0.02","13.83","0.02","61.5","0.4","90","","90","","120","","10187","7","150","","150","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C18 H48 Cu9 I14 N6 O9 Tb -","- C18 H48 Cu9 I14 N6 O9 Tb -","- C108 H288 Cu54 I84 N36 O54 Tb6 -","6","0.166667","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.1156","0.0632","","0.1363","0.0709","0.0671","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207999","13.6447","0.0017","7.2706","0.0009","15.5079","0.0014","90","","122.524","0.007","90","","1297.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cu2 N4 O7 -","- C11 H8 Cu2 N4 O7 -","- C44 H32 Cu8 N16 O28 -","4","1","","Chen, Xi; Li, Hong-Xi; Zhang, Zhi-Yuan; Xu, Cheng; Hou, Kai-Peng; Zhou, Li-Kuan; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of two cluster-based coordination polymers with good NLO performance from one NLO-inactive precursor cluster [Et4N][Tp*W(μ3‒S)3(CuCl)3]","CrystEngComm","2012","14","11","4027","","10.1039/c2ce25143d","","","0.71073","MoKα","","0.0664","0.0582","","","0.1484","0.1569","","","","","","1","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208000","10.603","0.002","12.39","0.003","12.774","0.003","80.25","0.03","70.91","0.03","67.35","0.03","1461.7","0.7","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H54 B2 Cu6 N16 O S10 W2 -","- C38 H54 B2 Cu6 N16 O S10 W2 -","- C38 H54 B2 Cu6 N16 O S10 W2 -","1","0.5","","Chen, Xi; Li, Hong-Xi; Zhang, Zhi-Yuan; Xu, Cheng; Hou, Kai-Peng; Zhou, Li-Kuan; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of two cluster-based coordination polymers with good NLO performance from one NLO-inactive precursor cluster [Et4N][Tp*W(μ3‒S)3(CuCl)3]","CrystEngComm","2012","14","11","4027","","10.1039/c2ce25143d","","","0.71073","MoKα","","0.0445","0.0342","","","0.089","0.097","","","","","","0.629","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208001","5.8941","0.0012","14.565","0.003","22.299","0.005","90","","97.3","0.03","90","","1898.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Butterhof, Christian; Milius, Wolfgang; Breu, Josef","Co-crystallisation of benzoic acid with sodium benzoate: the significance of stoichiometry","CrystEngComm","2012","14","11","3945","","10.1039/c2ce25185j","","","0.71073","MoKα","","0.0791","0.0374","","","0.084","0.0947","","","","","","0.803","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208002","5.323","0.006","13.091","0.015","19.48","0.02","90","","91.18","0.03","90","","1357","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba2 La3 Li3 O32 W8 -","- Ba2 La3 Li3 O32 W8 -","- Ba4 La6 Li6 O64 W16 -","2","0.25","","Pan, Yu; Chen, Yujin; Lin, Yanfu; Gong, Xinghong; Huang, Jianhua; Luo, Zundu; Huang, Yidong","Structure, spectral properties and laser performance of Tm3±doped Li3Ba2La3(WO4)8 crystal","CrystEngComm","2012","14","11","3930","","10.1039/c2ce25190f","","","0.71073","MoKα","","0.038","0.0358","","","0.087","0.0946","","","","","","1.073","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208003","6.86","0.001","8.7768","0.0012","11.895","0.0016","78.96","0.002","82.287","0.002","80.2","0.002","688.84","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Nicotinamide hydrochloride base salt","","","- C12 H15 Cl N4 O3 -","- C12 H15 Cl N4 O3 -","- C24 H30 Cl2 N8 O6 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid–base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0418","0.0313","","","0.0809","0.0861","","","","","","1.018","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208004","8.8921","0.0012","5.775","0.0008","26.92","0.004","90","","95.899","0.003","90","","1375.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sodium hydrogen bis(naproxate) methanol solvate","","","- C30 H35 Na O8 -","- C30 H35 Na O8 -","- C60 H70 Na2 O16 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0497","0.0374","","","0.0903","0.0957","","","","","","1.037","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208005","8.5777","0.0012","5.8968","0.0008","16.506","0.002","90","","92.35","0.002","90","","834.19","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Naproxen sodium mono salt DMF solvate","","","- C17 H20 N Na O4 -","- C17 H20 N Na O4 -","- C34 H40 N2 Na2 O8 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0354","0.0315","","","0.0813","0.0837","","","","","","1.05","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208006","7.4527","0.0004","11.7415","0.0006","12.156","0.0006","90.262","0.001","103.354","0.001","103.308","0.001","1005.29","0.09","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cd5 N6 O22 -","- C32 H26 Cd5 N6 O22 -","- C32 H26 Cd5 N6 O22 -","1","0.5","","Cui, Guang-Hua; He, Cui-Hong; Jiao, Cui-Huan; Geng, Jian-Chen; Blatov, Vladislav A.","Two metal‒organic frameworks with unique high-connected binodal network topologies: synthesis, structures, and catalytic properties","CrystEngComm","2012","14","12","4210","","10.1039/c2ce25264c","","","0.71073","MoKα","","0.0222","0.0203","","","0.0537","0.0547","","","","","","1.053","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208007","15.0607","0.0012","12.1512","0.001","16.2654","0.0013","90","","113.337","0.001","90","","2733.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cu2 N9 O8 -","- C28 H20 Cu2 N9 O8 -","- C112 H80 Cu8 N36 O32 -","4","1","","Cui, Guang-Hua; He, Cui-Hong; Jiao, Cui-Huan; Geng, Jian-Chen; Blatov, Vladislav A.","Two metal‒organic frameworks with unique high-connected binodal network topologies: synthesis, structures, and catalytic properties","CrystEngComm","2012","14","12","4210","","10.1039/c2ce25264c","","","0.71073","MoKα","","0.083","0.0428","","","0.0934","0.1099","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208008","11.9088","0.0004","11.9088","0.0004","8.3166","0.0006","90","","90","","120","","1021.44","0.09","298","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0327","0.0315","","","0.0815","0.0826","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208009","11.9058","0.0007","11.9058","0.0007","8.3177","0.0011","90","","90","","120","","1021.06","0.16","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0281","0.0268","","","0.0646","0.0652","","","","","","1.308","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208010","11.8429","0.0011","11.8429","0.0011","8.2715","0.0014","90","","90","","120","","1004.7","0.2","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0432","0.0404","","","0.0983","0.1005","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208011","11.9194","0.0006","11.9194","0.0006","8.3261","0.0011","90","","90","","120","","1024.43","0.15","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0326","0.0305","","","0.0728","0.0741","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208012","11.9329","0.0013","11.9329","0.0013","8.3384","0.0018","90","","90","","120","","1028.3","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0343","0.0313","","","0.0711","0.0728","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208013","11.9072","0.0005","11.9072","0.0005","8.3161","0.0006","90","","90","","120","","1021.1","0.1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0254","0.0245","","","0.0647","0.0652","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208014","11.9175","0.0006","11.9175","0.0006","8.3253","0.0013","90","","90","","120","","1024","0.18","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.024","0.0226","","","0.0573","0.0578","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208015","11.9166","0.0004","11.9166","0.0004","8.3263","0.0004","90","","90","","120","","1023.97","0.07","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0268","0.0243","","","0.0592","0.06","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208016","11.9118","0.0004","11.9118","0.0004","8.326","0.0005","90","","90","","120","","1023.11","0.08","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0272","0.0237","","","0.0508","0.052","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208017","11.9109","0.0006","11.9109","0.0006","8.3215","0.0009","90","","90","","120","","1022.4","0.13","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0261","0.025","","","0.0595","0.0601","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208018","9.5545","0.0012","10.3457","0.0013","13.7876","0.0017","81.615","0.001","82.813","0.001","70.723","0.001","1268.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Zn2(dppip)2(bpy)(H2O)4)(dmf)(H2O)1.5","","","- C41 H60 N3 O22 P2 Zn2 -","- C41 H28 N3 O21.832 P2 Zn2 -","- C41 H28 N3 O21.832 P2 Zn2 -","1","0.5","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.1293","0.0788","","","0.1565","0.1709","","","","","","1.086","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208019","8.463","0.002","11.263","0.003","11.774","0.003","110.96","0.002","96.523","0.003","108.941","0.002","957.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","dizinc 4,4'-bipyridyl bis(3-etacarboxy-5-carboxylphoshonate trihydrate","dizinc 4,4'-bipyridyl bis(3-etacarboxy-5-carboxylphoshonate trihydrate","","- C16 H21 N O10 P Zn -","- C16 H21 N O10 P Zn -","- C32 H42 N2 O20 P2 Zn2 -","2","1","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.0268","0.0262","","","0.0755","0.0759","","","","","","1.067","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208020","9.7414","0.0011","16.0486","0.0018","11.0596","0.0012","90","","95.446","0.001","90","","1721.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dimethylammonium zinc (monoisopropyl 3,5-dicarboxyphenyl phosphonate)","dimethylammonium zinc (monoisopropyl 3,5-dicarboxyphenyl phosphonate)","","- C13 H18 N O7 P Zn -","- C13 H18 N O7 P Zn -","- C52 H72 N4 O28 P4 Zn4 -","4","1","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.0558","0.0379","","","0.088","0.0968","","","","","","1.068","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208021","5.136","0.0014","12.264","0.003","12.574","0.003","69.555","0.003","79.414","0.003","82.245","0.003","727.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Zn2(H2pip)2(bpy))2(H2O)","","","- C26 H22 N2 O16 P2 Zn2 -","- C26 H18 N2 O16 P2 Zn2 -","- C26 H18 N2 O16 P2 Zn2 -","1","0.5","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.0687","0.0384","","","0.0903","0.0976","","","","","","1.036","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208022","5.728","0.003","8.033","0.003","24.575","0.006","90","","94.02","0.03","90","","1128","0.8","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N3 O3 -","- C10 H15 N3 O3 -","- C40 H60 N12 O12 -","4","1","","Szemik-Hojniak, A; Wiśniewski, Lukasz; Deperasińska, Irena; Makarewicz, Artur; Jerzykiewicz, Lucjan; Puszko, Aniela; Erez, Yuval; Huppert, Dan","The impact of solvent polarity on intramolecular proton and electron transfer in 2-alkylamino-4-nitro-5-methyl pyridine N-oxides.","Physical chemistry chemical physics : PCCP","2012","14","22","8147","8159","10.1039/c2cp40591a","","","0.71073","MoKα","","0.0748","0.057","","","0.14","0.1206","","","","","","1.234","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208023","7.5369","0.0007","10.941","0.0009","16.6813","0.0016","90","","102.521","0.004","90","","1342.8","0.2","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Brogaard, Rasmus Y.; Schalk, Oliver; Boguslavskiy, Andrey E.; Enright, Gary D.; Hopf, Henning; Raev, Vitaly; Tarcoveanu, Eliza; Sølling, Theis I.; Stolow, Albert","The Paternò‒Büchi reaction: importance of triplet states in the excited-state reaction pathway","Physical Chemistry Chemical Physics","2012","14","24","8572","","10.1039/c2cp40819h","","","0.71073","MoKα","","0.0762","0.0598","","","0.1669","0.1772","","","","","","1.057","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208024","4.25566","0.0001","10.2167","0.0002","12.2711","0.0003","90","","90","","90","","533.53","0.02","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,4,7-trioxa-3-oxy-bicyclo[3.3.0]octane","","- C5 H6 O4 -","- C5 H6 O4 -","- C20 H24 O16 -","4","1","","Tomczyk, Karolina M.; Guńka, Piotr A.; Parzuchowski, Paweł G.; Zachara, Janusz; Rokicki, Gabriel","Intramolecular etherification of five-membered cyclic carbonates bearing hydroxyalkyl groups","Green Chemistry","2012","14","6","1749","","10.1039/c2gc35265f","","","1.5418","CuKα","","0.0236","0.0225","","","0.0574","0.0587","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208025","7.9412","0.0002","10.0129","0.0003","10.831","0.0003","90","","90","","90","","861.22","0.04","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-(1,3-dioxolan-2-one-4-yl)-2,4,7-trioxa-3-oxy-bicyclo[3.3.0]octane","","- C8 H8 O7 -","- C8 H8 O7 -","- C32 H32 O28 -","4","1","","Tomczyk, Karolina M.; Guńka, Piotr A.; Parzuchowski, Paweł G.; Zachara, Janusz; Rokicki, Gabriel","Intramolecular etherification of five-membered cyclic carbonates bearing hydroxyalkyl groups","Green Chemistry","2012","14","6","1749","","10.1039/c2gc35265f","","","0.71073","MoKα","","0.0317","0.0276","","","0.0608","0.0632","","","","","","1.059","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208042","9.863","0.003","10.363","0.003","11.563","0.003","90","","113.28","0.02","90","","1085.6","0.6","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Robert, François; Jacquemin, Pierre-Loïc; Tinant, Bernard; Garcia, Yann","Trans-keto* form detection in non photochromic N-salicylidene aminomethylpyridines","CrystEngComm","2012","14","13","4396","","10.1039/c2ce00006g","","","0.71069","MoKα","","0.0509","0.0475","","","0.1263","0.1291","","","","","","1.124","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208043","13.864","0.004","6.004","0.002","14.041","0.004","90","","103.95","0.02","90","","1134.3","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Robert, François; Jacquemin, Pierre-Loïc; Tinant, Bernard; Garcia, Yann","Trans-keto* form detection in non photochromic N-salicylidene aminomethylpyridines","CrystEngComm","2012","14","13","4396","","10.1039/c2ce00006g","","","0.71069","MoKα","","0.0421","0.0409","","","0.1126","0.1135","","","","","","1.139","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208044","11.05","0.003","14.2","0.003","10.068","0.002","90","","95.397","0.016","90","","1572.8","0.6","293","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18.5 H17 N2 O -","- C18.5 H16.5 N2 O -","- C74 H66 N8 O4 -","4","1","","Choi, Eun-Young; Jazbinsek, Mojca; Lee, Seung-Heon; Günter, Peter; Yun, Hoseop; Lee, Soon W.; Kwon, O-Pil","Co-crystal structure selection of nonlinear optical analogue polyenes","CrystEngComm","2012","14","13","4306","","10.1039/c2ce06057d","","","0.71073","MoKα","","0.1835","0.0664","","","0.1326","0.1798","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208045","12.7407","0.0003","12.7787","0.0003","15.996","0.0004","86.701","0.002","72.142","0.002","60.438","0.003","2142.27","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H52 K2 Mn5 O38 S6 -","- C84 H48 K2 Mn5 O38 S6 -","- C84 H48 K2 Mn5 O38 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.0462","0.0334","","","0.0859","0.0919","","","","","","1.089","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208046","12.55","0.0006","12.9301","0.0006","16.1279","0.0007","106.08","0.004","93.353","0.004","118.627","0.005","2149.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H48 Cs2 Mn5 O36 S6 -","- C84 H48 Cs2 Mn5 O36 S6 -","- C84 H48 Cs2 Mn5 O36 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.093","0.0576","","","0.1334","0.1469","","","","","","1.057","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208047","12.7609","0.0006","12.7682","0.0006","16.0315","0.0007","87.646","0.004","72.508","0.004","60.477","0.005","2149.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H60 Mn5 N2 O38 S6 -","- C84 H56 Mn5 N2 O38 S6 -","- C84 H56 Mn5 N2 O38 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.0675","0.0425","","","0.0845","0.0971","","","","","","1.007","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208048","12.7","0.005","12.714","0.005","15.99","0.005","72.773","0.005","88.047","0.005","60.583","0.005","2128.8","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H59 Mn5 O40.5 S6 -","- C84 H50 Mn5 O40.5 S6 -","- C84 H50 Mn5 O40.5 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.0611","0.0416","","","0.0948","0.1036","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208049","8.3238","0.0005","20.5408","0.0011","9.6118","0.0005","90","","102.496","0.005","90","","1604.47","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H35 Cu3 La O34 -","- C9 Cu3 La O34 -","- C18 Cu6 La2 O68 -","2","1","","Gil-Hernández, Beatriz; Gili, Pedro; Pasán, Jorge; Sanchiz, Joaquín; Ruiz-Pérez, Catalina","Two-dimensional (6,3) networks obtained with the {Cu3(Hmesox)3}3− secondary building unit (H4mesox = mesoxalic acid)","CrystEngComm","2012","14","13","4289","","10.1039/c2ce06418a","","x-ray","0.71073","MoKα","","0.0621","0.0454","","","0.0946","0.1014","","","","","","1.088","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208050","11.796","0.003","12.218","0.003","18.964","0.011","90","","93.794","0.016","90","","2727.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H29 Cu3 La O31 -","- C9 Cu3 La O31 -","- C36 Cu12 La4 O124 -","4","1","","Gil-Hernández, Beatriz; Gili, Pedro; Pasán, Jorge; Sanchiz, Joaquín; Ruiz-Pérez, Catalina","Two-dimensional (6,3) networks obtained with the {Cu3(Hmesox)3}3− secondary building unit (H4mesox = mesoxalic acid)","CrystEngComm","2012","14","13","4289","","10.1039/c2ce06418a","","x-ray","0.71073","Mokα","","0.0601","0.0458","","","0.1219","0.1448","","","","","","1.135","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208051","6.0895","0.0004","10.4778","0.0009","11.4086","0.001","73.688","0.007","77.256","0.007","85.402","0.006","681.28","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H21 N O7 Zn -","- C10 H21 N O7 Zn -","- C20 H42 N2 O14 Zn2 -","2","1","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Boccaleri, Enrico; van Beek, Wouter; Milanesio, Marco","Crystal structure and solid-state transformations of Zn–triethanolamine–acetate complexes to ZnO","CrystEngComm","2012","14","13","4472","","10.1039/c2ce06468e","","","0.71073","MoKα","","0.1988","0.0945","","","0.2342","0.2695","","","","","","1.065","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208052","8.4232","0.0005","10.0883","0.0005","10.1361","0.0006","91.118","0.004","113.57","0.005","98.367","0.005","778.19","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H42 N2 O16 Zn4 -","- C20 H42 N2 O16 Zn4 -","- C20 H42 N2 O16 Zn4 -","1","0.5","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Boccaleri, Enrico; van Beek, Wouter; Milanesio, Marco","Crystal structure and solid-state transformations of Zn–triethanolamine–acetate complexes to ZnO","CrystEngComm","2012","14","13","4472","","10.1039/c2ce06468e","","","0.71073","MoKα","","0.0532","0.03","","","0.0624","0.0696","","","","","","1.011","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208053","22.496","0.003","22.496","0.003","14.87","0.003","90","","90","","120","","6517.1","1.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C11 H12 Cd Cl N5 O -","- C11 H12 Cd Cl N5 O -","- C198 H216 Cd18 Cl18 N90 O18 -","18","1","","Chu, Wenjuan; Wu, Benlai; Tang, Mingsheng; Fan, Yaoting; Hou, Hongwei","A novel dodecanuclear cadmium(ii) macrocycle with a 3D framework: synthesis, structure and properties","CrystEngComm","2012","14","13","4414","","10.1039/c2ce06694g","","","0.71073","MoKα","","0.0444","0.0418","","","0.1338","0.1365","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208054","6.4648","0.0013","9.841","0.002","30.508","0.006","90","","90","","90","","1940.9","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N5 -","- C10 H8 N5 -","- C80 H64 N40 -","8","1","","Chu, Wenjuan; Wu, Benlai; Tang, Mingsheng; Fan, Yaoting; Hou, Hongwei","A novel dodecanuclear cadmium(ii) macrocycle with a 3D framework: synthesis, structure and properties","CrystEngComm","2012","14","13","4414","","10.1039/c2ce06694g","","","0.71073","MoKα","","0.0764","0.0754","","","0.1805","0.1813","","","","","","1.008","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208055","11.6973","0.0002","10.268","0.0002","15.3761","0.0003","90","","94.2943","0.0019","90","","1841.61","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd2 O12 S -","- C16 H14 Cd2 O12 S -","- C64 H56 Cd8 O48 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.047","0.0377","","","0.054","0.0556","","","","","","1.456","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208056","24.577","0.005","9.858","0.002","19.961","0.004","90","","109.71","0.03","90","","4552.8","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 Cd4 N2 O21 S2 -","- C44 H32 Cd4 N2 O21 S2 -","- C176 H128 Cd16 N8 O84 S8 -","4","0.5","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0468","0.0417","","","0.0846","0.0874","","","","","","1.157","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208057","11.418","0.002","14.628","0.003","20.288","0.006","90","","120.49","0.02","90","","2920","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 N4 O8 S -","- C30 H20 Cd2 N4 O8 S -","- C120 H80 Cd8 N16 O32 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0929","0.0769","","","0.187","0.2045","","","","","","1.226","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208058","19.695","0.004","9.2506","0.0019","18.77","0.004","90","","90","","90","","3419.7","1.2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H32 Cd2 N2 O17 S -","- C28 H32 Cd2 N2 O17 S -","- C112 H128 Cd8 N8 O68 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0311","0.0302","","","0.0659","0.0663","","","","","","1.094","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208059","9.2969","0.0005","15.1541","0.0007","21.5699","0.001","77.95","0.004","89.748","0.004","86.294","0.004","2965.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H110 N8 O61 S4 Zn8 -","- C104 H110 N8 O61 S4 Zn8 -","- C104 H110 N8 O61 S4 Zn8 -","1","0.5","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0745","0.0491","","","0.1061","0.117","","","","","","0.95","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208060","8.709","0.004","11.587","0.005","8.28","0.003","90","","90","","90","","835.5","0.6","120","2","120","2","","","","","","","synthesis as described","5","P n n a","-P 2a 2bc","52","","","","- C4 H8 Mg N2 O6 -","- C4 H8 Mg N2 O6 -","- C16 H32 Mg4 N8 O24 -","4","0.5","","Rossin, Andrea; Chierotti, Michele R.; Giambastiani, Giuliano; Gobetto, Roberto; Peruzzini, Maurizio","Amine-templated polymeric Mg formates: crystalline scaffolds exhibiting extensive hydrogen bonding","CrystEngComm","2012","14","13","4454","","10.1039/c2ce25048a","","x-ray","0.71069","MoKα","","0.0331","0.0293","","","0.0791","0.0819","","","","","","1.109","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208061","8.391","0.002","11.831","0.002","8.842","0.001","90","","90","","90","","877.8","0.3","298","2","298","2","","","","","","","synthesis as described","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mg N3 O6 -","- C4 H9 Mg N3 O6 -","- C16 H36 Mg4 N12 O24 -","4","0.5","","Rossin, Andrea; Chierotti, Michele R.; Giambastiani, Giuliano; Gobetto, Roberto; Peruzzini, Maurizio","Amine-templated polymeric Mg formates: crystalline scaffolds exhibiting extensive hydrogen bonding","CrystEngComm","2012","14","13","4454","","10.1039/c2ce25048a","","x-ray","0.71069","MoKα","","0.1345","0.1031","","","0.2709","0.3236","","","","","","1.124","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208062","11.667","0.002","8.3608","0.0016","12.363","0.002","90","","93.224","0.002","90","","1204","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H10 Cu N2 O6 -","- C12 H10 Cu N2 O6 -","- C48 H40 Cu4 N8 O24 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0306","0.0286","","","0.0689","0.07","","","","","","1.042","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208063","17.55","0.004","12.839","0.003","18.15","0.004","90","","90","","90","","4089.6","1.6","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 N4 O5 Zn -","- C22 H16 N4 O5 Zn -","- C176 H128 N32 O40 Zn8 -","8","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.1154","0.0534","","","0.124","0.1536","","","","","","1.004","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208064","17.4706","0.0018","12.8946","0.0013","18.194","0.002","90","","90","","90","","4098.7","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Co N4 O5 -","- C22 H16 Co N4 O5 -","- C176 H128 Co8 N32 O40 -","8","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0492","0.0359","","","0.0968","0.103","","","","","","1.083","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208065","10.3055","0.0009","16.9232","0.0014","12.759","0.0011","90","","101.976","0.001","90","","2176.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co N4 O5 -","- C24 H16 Co N4 O5 -","- C96 H64 Co4 N16 O20 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0385","0.0302","","","0.0775","0.0807","","","","","","1.086","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208066","9.0336","0.0008","10.155","0.0009","15.4904","0.0013","107.652","0.001","97.168","0.001","105.296","0.001","1273.33","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cd1.5 N4 O11 -","- C24 H19 Cd1.5 N4 O11 -","- C48 H38 Cd3 N8 O22 -","2","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0417","0.0288","","","0.0638","0.0693","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208067","19.821","0.003","7.474","0.0013","20.988","0.004","90","","105.716","0.002","90","","2993","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Co1.5 N5 O12 -","- C29 H26 Co1.5 N5 O12 -","- C116 H104 Co6 N20 O48 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0623","0.0429","","","0.1041","0.1154","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208068","9.05","0.0003","19.4931","0.0007","12.0533","0.0004","90","","90","","90","","2126.35","0.13","150","2","150","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C4 H54 Fe Mo4 N7 O36 P4 -","- C4 H6 Fe Mo4 O26 P4 -","- C8 H12 Fe2 Mo8 O52 P8 -","2","0.25","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0945","0.0819","","","0.1934","0.1989","","","","","","1.133","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208069","19.34","0.003","8.9709","0.0015","12.18","0.002","90","","90","","90","","2113.2","0.6","103","2","103","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C4 H51.34 Cr Mo4 N4 Na O39.67 P4 -","- C4 H30 Cr Mo4 N4 Na O39.66 P4 -","- C8 H60 Cr2 Mo8 N8 Na2 O79.32 P8 -","2","0.25","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0509","0.049","","","0.1441","0.1459","","","","","","0.999","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7208070","17.531","0.003","19.863","0.003","12.896","0.002","90","","90.48","0.003","90","","4490.5","1.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H51.3 Mo6 N8 O36.65 P4 -","- C4 H8 Mo6 N8 O36.65 P4 -","- C16 H32 Mo24 N32 O146.6 P16 -","4","1","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0754","0.0605","","","0.1384","0.1468","","","","","","1.1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208071","10.674","0.002","10.9232","0.0013","8.796","0.002","90","","125.04","0.03","90","","839.7","0.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 N4 -","- C6 H14 N4 -","- C24 H56 N16 -","4","0.5","","Railliet, Antoine P.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles","CrystEngComm","2012","14","14","4812","","10.1039/c2ce25095k","","","0.71073","MoKα","","0.0546","0.0524","","","0.1331","0.1358","","","","","","1.155","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208072","8.0454","0.0005","8.9859","0.0019","13.0298","0.0017","92.702","0.014","100.424","0.01","115.058","0.014","831.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H25 N5 O2 -","- C15 H25 N5 O2 -","- C30 H50 N10 O4 -","2","1","","Railliet, Antoine P.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles","CrystEngComm","2012","14","14","4812","","10.1039/c2ce25095k","","","0.71073","MoKα","","0.0555","0.0472","","","0.1208","0.1254","","","","","","1.057","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208073","18.5835","0.0014","5.4789","0.0005","20.2394","0.0019","90","","90.425","0.008","90","","2060.7","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Railliet, Antoine P.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles","CrystEngComm","2012","14","14","4812","","10.1039/c2ce25095k","","","0.71073","MoKα","","0.0431","0.0361","","","0.0979","0.1023","","","","","","1.057","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208074","8.8941","0.0013","8.8941","0.0013","6.3353","0.0013","90","","90","","120","","434.01","0.13","295","2","295","2","","","2620000","","","","","3","P 63/m","-P 6c","176","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C12 H30 Cl6 -","6","0.5","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0226","0.0215","","","0.05","0.0515","","","","","","1.182","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208075","8.8116","0.0012","8.8116","0.0012","6.2705","0.0013","90","","90","","120","","421.64","0.12","295","2","295","2","","","3040000","","","","","3","P 63/m","-P 6c","176","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C12 H30 Cl6 -","6","0.5","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0175","0.0172","","","0.044","0.0442","","","","","","1.096","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208076","5.3006","0.0007","9.8562","0.0015","6.8405","0.001","90","","98.173","0.013","90","","353.74","0.09","120","0.1","120","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C8 H20 Cl4 -","4","1","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0654","0.06","","","0.151","0.154","","","","","","1.072","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208077","5.2815","0.0006","9.8152","0.0014","6.7653","0.0009","90","","98.071","0.012","90","","347.23","0.08","100","0.1","100","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C8 H20 Cl4 -","4","1","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0602","0.0552","","","0.1391","0.1433","","","","","","0.999","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208078","51.285","0.01","11.694","0.002","31.093","0.006","90","","112.22","0.03","90","","17263","7","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H45 F18 N4 O12 Tb -","- C51 H45 F18 N4 O12 Tb -","- C612 H540 F216 N48 O144 Tb12 -","12","1.5","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0417","0.0344","","","0.0765","0.0806","","","","","","1.072","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208079","11.844","0.002","14.694","0.003","17.86","0.004","97.57","0.03","93.51","0.03","107.98","0.03","2913.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 Ho N4 O12 -","- C51 H45 F18 Ho N4 O12 -","- C102 H90 F36 Ho2 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0872","0.0437","","","0.0641","0.07","","","","","","0.852","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208080","11.778","0.002","14.717","0.003","17.644","0.003","97.39","0.03","93.68","0.03","107.89","0.03","2868.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Er F18 N4 O12 -","- C51 H45 Er F18 N4 O12 -","- C102 H90 Er2 F36 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.081","0.0632","","","0.1453","0.1601","","","","","","1.078","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208081","11.768","0.002","14.695","0.003","17.642","0.003","97.37","0.03","93.85","0.03","108.19","0.03","2855.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 N4 O12 Tm -","- C51 H45 F18 N4 O12 Tm -","- C102 H90 F36 N8 O24 Tm2 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0618","0.0488","","","0.103","0.1086","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208082","12.296","0.003","14.312","0.003","19.009","0.004","100.89","0.03","103.92","0.03","111.24","0.03","2882.1","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 Gd N4 O12 -","- C51 H45 F18 Gd N4 O12 -","- C102 H90 F36 Gd2 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0394","0.0365","","","0.0918","0.0944","","","","","","1.051","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208083","12.237","0.002","14.223","0.003","18.868","0.004","100.82","0.03","104.15","0.03","111.08","0.03","2829.9","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Dy F18 N4 O12 -","- C51 H45 Dy F18 N4 O12 -","- C102 H90 Dy2 F36 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0564","0.0477","","","0.1108","0.1165","","","","","","1.076","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208084","12.388","0.003","14.306","0.003","19.221","0.004","100.93","0.03","103.76","0.03","111.6","0.03","2927.8","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 N4 O12 Pr -","- C51 H45 F18 N4 O12 Pr -","- C102 H90 F36 N8 O24 Pr2 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0692","0.0559","","","0.136","0.1436","","","","","","1.034","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208085","29","0.02","11.358","0.008","20.024","0.015","90","","97.977","0.009","90","","6532","8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N2 O3 -","- C18 H21 N2 O3 -","- C288 H336 N32 O48 -","16","4","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.1363","0.1015","","","0.2319","0.255","","","","","","1.011","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208086","17.693","0.003","17.693","0.003","13.907","0.003","90","","90","","120","","3770.2","1.2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C180 H162 N18 O36 -","6","0.333333","","Naseer, Muhammad Moazzam; Hameed, Shahid","Layer-by-layer assembly of supramolecular hexagonal blocks driven by CH–π and π–π interactions","CrystEngComm","2012","14","13","4247","","10.1039/c2ce25118c","","","0.71073","MoKα","","0.0701","0.0401","","","0.0892","0.0989","","","","","","1.012","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208087","5.2959","0.0008","5.011","0.0008","21.651","0.014","90","","98.78","0.04","90","","567.8","0.4","296","2","296","2","640000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.1081","0.0927","","","0.1775","0.1883","","","","","","1.211","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208088","5.3454","0.0015","5.04","0.0016","21.688","0.017","90","","98.36","0.08","90","","578.1","0.5","296","2","296","2","420000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.125","0.0999","","","0.1986","0.2153","","","","","","1.314","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208089","5.402","0.004","5.067","0.003","21.751","0.015","90","","98.1","0.06","90","","589.4","0.7","296","2","296","2","210000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.1365","0.0875","","","0.0767","0.0847","","","","","","1.477","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208090","5.1036","0.0011","4.8981","0.001","21.176","0.016","90","","100.38","0.06","90","","520.7","0.4","296","2","296","2","1960000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.1128","0.0765","","","0.0919","0.1048","","","","","","1.301","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208091","5.1578","0.0011","4.9334","0.0011","21.302","0.015","90","","99.82","0.06","90","","534.1","0.4","296","2","296","2","1480000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.0886","0.0667","","","0.099","0.1053","","","","","","1.353","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208092","5.2086","0.001","4.9633","0.0011","21.468","0.015","90","","99.48","0.06","90","","547.4","0.4","296","2","296","2","1120000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.0716","0.0509","","","0.1324","0.1503","","","","","","1.131","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208093","5.077","0.014","4.893","0.009","21.1","0.06","90","","100.6","0.4","90","","515","2","296","2","296","2","2210000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.2213","0.0982","","","0.1083","0.1479","","","","","","1.269","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208094","7.0066","0.0006","6.2397","0.0005","19.8205","0.0017","90","","96.494","0.002","90","","860.97","0.13","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C42 H42 N2 O4 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0473","0.0431","","","0.0994","0.1021","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208095","7.0662","0.0008","6.1893","0.0007","29.342","0.004","90","","90.006","0.002","90","","1283.3","0.3","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C60 H64 N4 O8 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0564","0.0535","","","0.125","0.127","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208096","7.357","0.002","6.1288","0.0017","20.081","0.006","90","","91.129","0.005","90","","905.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71075","MoKα","","0.0333","0.0328","","","0.0869","0.0874","","","","","","0.971","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208097","29.1775","0.0014","6.2427","0.0003","7.2407","0.0003","90","","90","","90","","1318.87","0.1","115","2","115","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H16 N O3 S -","- C14 H16 N O3 S -","- C56 H64 N4 O12 S4 -","4","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0335","0.0325","","","0.0831","0.0839","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208098","10.9234","0.0009","10.215","0.0008","11.2637","0.0009","90","","110.589","0.004","90","","1176.55","0.17","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Fe2 -","- C34 H24 Fe2 -","- C68 H48 Fe4 -","2","0.5","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0374","0.0276","","","0.0633","0.0691","","","","","","0.942","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208099","6.0832","0.0004","10.8664","0.0006","18.1086","0.001","90","","99.668","0.003","90","","1180.02","0.12","89","2","89","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Fe2 -","- C34 H24 Fe2 -","- C68 H48 Fe4 -","2","0.5","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0308","0.0288","","","0.0671","0.0685","","","","","","1.06","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208100","13.639","0.005","10.538","0.003","16.393","0.005","90","","91.222","0.005","90","","2355.6","1.3","168","2","168","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Fe2 -","- C34 H24 Fe2 -","- C136 H96 Fe8 -","4","1","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0645","0.0287","","","0.0484","0.0515","","","","","","0.817","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208101","14.6673","0.0009","10.3305","0.0006","12.8647","0.0008","90","","114.247","0.003","90","","1777.31","0.19","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe2 -","- C24 H18 Fe2 -","- C96 H72 Fe8 -","4","1","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.052","0.0374","","","0.0858","0.0946","","","","","","0.982","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208102","10.5532","0.0008","10.8903","0.0008","13.9116","0.0011","90","","106.76","0.004","90","","1530.9","0.2","89","2","89","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Fe -","- C22 H16 Fe -","- C88 H64 Fe4 -","4","1","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0421","0.0329","","","0.0774","0.0825","","","","","","1.085","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208103","7.5456","0.0005","10.1672","0.0007","11.635","0.0007","90","","98.492","0.004","90","","882.82","0.1","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Fe2 -","- C24 H20 Fe2 -","- C48 H40 Fe4 -","2","0.5","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.037","0.0285","","","0.0658","0.0701","","","","","","1.004","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208104","9.2705","0.0005","9.7701","0.0005","11.4534","0.0006","72.887","0.001","80.213","0.0009","64.052","0.001","890.48","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Co N5 O4 -","- C18 H19 Co N5 O4 -","- C36 H38 Co2 N10 O8 -","2","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.0348","0.033","","","0.095","0.0967","","","","","","1.011","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208105","11.0663","0.0005","7.617","0.0003","16.0392","0.0007","90","","91.754","0.001","90","","1351.34","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Co N3 O4 -","- C13 H12 Co N3 O4 -","- C52 H48 Co4 N12 O16 -","4","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.0328","0.0291","","","0.0857","0.0892","","","","","","1.002","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208106","10.195","0.002","10.242","0.005","12.011","0.002","100.37","0.04","95.68","0.03","115.82","0.02","1088","0.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Co N5 O5 -","- C22 H21 Co N5 O5 -","- C44 H42 Co2 N10 O10 -","2","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.1126","0.0742","","","0.19","0.2094","","","","","","1.018","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208107","10.7631","0.0004","11.1927","0.0004","15.5583","0.0006","107.109","0.001","95.305","0.0009","99.155","0.001","1749.15","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 Co2 N8 O8 -","- C37 H31 Co2 N8 O8 -","- C74 H62 Co4 N16 O16 -","2","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.0368","0.0337","","","0.0933","0.0957","","","","","","1.027","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208108","11.8113","0.001","16.3344","0.0014","13.8479","0.0012","90","","112.851","0.001","90","","2462","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 O25 Zn3 -","- C12 H32 O25 Zn3 -","- C48 H128 O100 Zn12 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0414","0.0302","","","0.0639","0.0689","","","","","","1.059","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208109","11.8151","0.0013","16.3216","0.0019","13.8362","0.0016","90","","112.766","0.001","90","","2460.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Co3 O25 -","- C12 H32 Co3 O25 -","- C48 H128 Co12 O100 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0591","0.0463","","","0.1092","0.1157","","","","","","1.041","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208110","17.0978","0.0017","8.3863","0.0008","27.613","0.003","90","","104.65","0.001","90","","3830.6","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H42 Cu5 O38 -","- C24 H42 Cu5 O38 -","- C96 H168 Cu20 O152 -","4","0.5","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0279","0.0254","","","0.0698","0.0712","","","","","","1.089","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208111","14.2531","0.0012","14.2531","0.0012","14.554","0.002","90","","90","","120","","2560.5","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H14 Ni2 O13 -","- C8 H14 Ni2 O13 -","- C72 H126 Ni18 O117 -","9","0.5","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0416","0.0352","","","0.1092","0.1124","","","","","","1.238","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208112","10.2897","0.0017","11.3848","0.0019","20.042","0.003","90","","90.712","0.002","90","","2347.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O15 Zn -","- C22 H24 N2 O15 Zn -","- C88 H96 N8 O60 Zn4 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0578","0.0387","","","0.0848","0.0949","","","","","","1.023","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208113","38.326","0.003","11.334","0.001","26.909","0.004","90","","131.031","0.001","90","","8817.6","1.7","566","2","566","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H35 N7 O16 Zn2 -","- C48 H35 N7 O16 Zn2 -","- C384 H280 N56 O128 Zn16 -","8","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0753","0.0472","","","0.1175","0.1303","","","","","","1.05","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208114","20.7","0.005","11.623","0.003","29.216","0.006","90","","118.682","0.013","90","","6167","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 Cd2 N6 O29 -","- C54 H44 Cd2 N6 O29 -","- C216 H176 Cd8 N24 O116 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.1355","0.0828","","","0.2369","0.2763","","","","","","0.93","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208115","12.8575","0.0016","14.2518","0.0017","16.053","0.003","101.572","0.002","107.553","0.002","112.338","0.001","2422.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H51 Co1.5 N6 O21 -","- C42 H49 Co1.5 N6 O21 -","- C84 H98 Co3 N12 O42 -","2","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0641","0.0528","","","0.1419","0.1526","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208116","13.138","0.003","11.446","0.002","26.722","0.005","90","","104.23","","90","","3895.1","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Mn N4 O19 -","- C36 H40 Mn N4 O19 -","- C144 H160 Mn4 N16 O76 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions – From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.138","0.0608","","","0.1222","0.1476","","","","","","0.849","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208117","14.3386","0.0007","16.8561","0.0009","16.9461","0.0009","67.343","0.005","84.739","0.004","77.298","0.004","3687.1","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","synthesis as described","","","- C119 H43 Cl4 Fe N4 -","- C118.994 H42.996 Cl3.998 Fe N4 -","- C237.988 H85.992 Cl7.996 Fe2 N8 -","2","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Lyubovskaya, Rimma N.","Coordination of fullerene C60 and benzonitrile to iron(ii) tetraphenylporphyrin in the FeIITPP·C60·(C6H4Cl2)2·(C6H14)0.5 and FeIITPP·(C6H5CN)2 complexes","CrystEngComm","2012","14","13","4350","","10.1039/c2ce25295c","","","0.71073","MoKα","","0.105","0.0661","","","0.1938","0.2142","","","","","","1.133","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208118","10.7512","0.0005","10.9907","0.0005","11.0421","0.0005","73.687","0.001","72.95","0.001","62.057","0.001","1085.97","0.09","140","2","140","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C58 H38 Fe N6 -","- C58 H38 Fe N6 -","- C58 H38 Fe N6 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Lyubovskaya, Rimma N.","Coordination of fullerene C60 and benzonitrile to iron(ii) tetraphenylporphyrin in the FeIITPP·C60·(C6H4Cl2)2·(C6H14)0.5 and FeIITPP·(C6H5CN)2 complexes","CrystEngComm","2012","14","13","4350","","10.1039/c2ce25295c","","","0.71073","MoKα","","0.048","0.0356","","","0.0818","0.089","","","","","","1.029","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208119","24.2284","0.001","24.2284","0.001","20.6629","0.0016","90","","90","","120","","10504.4","1","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C36 H50.67 Ag2.67 Cl2.67 N8 O12 -","- C36 H50.6633 Ag2.66667 Cl2.66667 N8 O12 -","- C324 H455.97 Ag24 Cl24 N72 O108 -","9","1","","Cheng, Lin; Zhang, Li-Min; Gou, Shao-Hua; Cao, Qing-Na; Wang, Jian-Quan; Fang, Lei","Two temperature-controlled chiral Ag(i) coordination polymers with dual chiral components: synthesis, luminescence and SHG properties","CrystEngComm","2012","14","13","4437","","10.1039/c2ce25317h","","","0.71073","MoKα","","0.08","0.0489","","","0.0954","0.1146","","","","","","1.059","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208120","9.254","0.0019","10.25","0.002","11.625","0.002","90","","104.4","0.003","90","","1068","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Ag Cl N4 O5 -","- C18 H26 Ag Cl N4 O5 -","- C36 H52 Ag2 Cl2 N8 O10 -","2","1","","Cheng, Lin; Zhang, Li-Min; Gou, Shao-Hua; Cao, Qing-Na; Wang, Jian-Quan; Fang, Lei","Two temperature-controlled chiral Ag(i) coordination polymers with dual chiral components: synthesis, luminescence and SHG properties","CrystEngComm","2012","14","13","4437","","10.1039/c2ce25317h","","","0.71073","MoKα","","0.0762","0.0738","","","0.1717","0.1729","","","","","","1.087","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208121","6.1014","0.001","24.246","0.005","5.1617","0.0008","90","","93.598","0.009","90","","762.1","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dibromotetrafluorobenzene","1,3-Dibromotetrafluorobenzene","","- C6 Br2 F4 -","- C6 Br2 F4 -","- C24 Br8 F16 -","4","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C–Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0308","0.0215","","","0.0496","0.0522","","","","","","1.097","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208122","26.751","0.003","8.9439","0.0009","17.2175","0.0018","90","","119.428","0.002","90","","3587.9","0.7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Dibromotetrafluorobenzene Hexamethyphosphoramide","1,3-Dibromotetrafluorobenzene Hexamethylphosphoramide","","- C12 H18 Br2 F4 N3 O P -","- C12 H18 Br2 F4 N3 O P -","- C96 H144 Br16 F32 N24 O8 P8 -","8","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C–Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0365","0.0247","","","0.0543","0.0574","","","","","","1.023","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208123","10.1518","0.0019","5.3303","0.0011","21.945","0.004","90","","90","","90","","1187.5","0.4","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","Dibromotetrafluorobenzene Dimethyl sulfoxide","1,3-Dibromotetrafluorobenzene Dimethyl sulfoxide","","- C8 H6 Br2 F4 O S -","- C8 H6 Br2 F4 O S -","- C32 H24 Br8 F16 O4 S4 -","4","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C–Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0604","0.0412","","","0.0946","0.1341","","","","","","1.09","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208124","56.546","0.006","8.1861","0.0008","8.6095","0.0009","90","","90","","90","","3985.3","0.7","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","Dibromotetrafluorobenzene Dimethyl formamide","Dibromotetrafluorobenzene Dimethyl formamide","","- C15 H7 Br4 F8 N O -","- C15 H7 Br4 F8 N O -","- C120 H56 Br32 F64 N8 O8 -","8","0.5","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0543","0.0352","","","0.0752","0.1013","","","","","","1.184","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208125","15.0427","0.001","19.2867","0.0008","15.3115","0.0007","90","","106.433","0.001","90","","4260.8","0.4","100","2","100","2","","","","","","","synthesis as described","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H48 Cd2 N12 O2 S6 -","- C32 H48 Cd2 N12 O2 S6 -","- C128 H192 Cd8 N48 O8 S24 -","4","0.5","","Martínez-Calvo, Miguel; Pedrido, Rosa; González-Noya, Ana M.; Cwiklinska, Magdalena; Zaragoza, Guillermo; Bermejo, Manuel R.","Chains or grids of cadmium(ii) helicates?","CrystEngComm","2012","14","13","4270","","10.1039/c2ce25551k","","x-ray","0.7107","MoKα","","0.0487","0.0296","","","0.056","0.0619","","","","","","1.02","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208126","11.5553","0.0003","8.1262","0.0002","13.2771","0.0003","90","","113.978","0.0015","90","","1139.14","0.05","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 F3 N3 -","- C12 H10 F3 N3 -","- C48 H40 F12 N12 -","4","1","","Chung, Min-Wen; Liao, Jia-Ling; Tang, Kuo-Chun; Hsieh, Cheng-Chih; Lin, Tsung-Yi; Liu, Chun; Lee, Gene-Hsiang; Chi, Yun; Chou, Pi-Tai","Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state.","Physical chemistry chemical physics : PCCP","2012","14","25","9006","9015","10.1039/c2cp23938h","","","0.71073","MoKα","","0.0773","0.0557","","","0.1556","0.1693","","","","","","1.091","","","","has coordinates,has disorder","301863","2025-08-22","13:07:29",""
"7208127","7.6053","0.0009","16.5396","0.0019","8.8177","0.001","90","","113.508","0.002","90","","1017.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F3 N3 -","- C11 H8 F3 N3 -","- C44 H32 F12 N12 -","4","1","","Chung, Min-Wen; Liao, Jia-Ling; Tang, Kuo-Chun; Hsieh, Cheng-Chih; Lin, Tsung-Yi; Liu, Chun; Lee, Gene-Hsiang; Chi, Yun; Chou, Pi-Tai","Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state.","Physical chemistry chemical physics : PCCP","2012","14","25","9006","9015","10.1039/c2cp23938h","","","0.71073","MoKα","","0.0443","0.0401","","","0.1029","0.1062","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208128","14.0909","0.0012","4.8932","0.0004","14.1826","0.0012","90","","96.014","0.002","90","","972.5","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 F3 N3 -","- C11 H6 F3 N3 -","- C44 H24 F12 N12 -","4","1","","Chung, Min-Wen; Liao, Jia-Ling; Tang, Kuo-Chun; Hsieh, Cheng-Chih; Lin, Tsung-Yi; Liu, Chun; Lee, Gene-Hsiang; Chi, Yun; Chou, Pi-Tai","Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state.","Physical chemistry chemical physics : PCCP","2012","14","25","9006","9015","10.1039/c2cp23938h","","","0.71073","MoKα","","0.0645","0.0524","","","0.1381","0.1464","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208129","22.7575","0.0015","4.3553","0.0003","17.981","0.001","90","","94.239","0.003","90","","1777.3","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 F3 N3 -","- C9 H6 F3 N3 -","- C72 H48 F24 N24 -","8","1","","Chung, Min-Wen; Liao, Jia-Ling; Tang, Kuo-Chun; Hsieh, Cheng-Chih; Lin, Tsung-Yi; Liu, Chun; Lee, Gene-Hsiang; Chi, Yun; Chou, Pi-Tai","Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state.","Physical chemistry chemical physics : PCCP","2012","14","25","9006","9015","10.1039/c2cp23938h","","","0.71073","MoKα","","0.0598","0.0399","","","0.1045","0.1125","","","","","","1.1","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208130","12.142","0.002","10.509","0.002","13.907","0.003","90","","106.101","0.004","90","","1704.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Ag N5 O5 -","- C18 H14 Ag N5 O5 -","- C72 H56 Ag4 N20 O20 -","4","1","","Sheykhan, Mehdi; Rashidi Ranjbar, Zohreh; Morsali, Ali; Heydari, Akbar","Minimisation of E-Factor in the synthesis of N-hydroxylamines: the role of silver(i)-based coordination polymers","Green Chemistry","2012","14","7","1971","","10.1039/c2gc35076a","","","0.71073","MoKα","","0.0977","0.0421","","","0.0763","0.0956","","","","","","0.985","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208131","13.6247","0.0014","8.6852","0.0008","17.0833","0.0019","90","","112.949","0.002","90","","1861.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F3 N O4 -","- C21 H18 F3 N O4 -","- C84 H72 F12 N4 O16 -","4","1","","Reddy, T. Ram; Reddy, L. Srinivasula; Reddy, G. Rajeshwar; Yarbagi, Kaviraj; Lingappa, Y.; Rambabu, D.; Krishna, G. Rama; Reddy, C. Malla; Kumar, K. Shiva; Pal, Manojit","Construction of a quinoline ring via a 3-component reaction in water: crystal structure analysis and H-bonding patterns of a 2-aryl quinoline","Green Chemistry","2012","14","7","1870","","10.1039/c2gc35256g","","","0.71073","MoKα","","0.0582","0.0394","","","0.0906","0.1007","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208155","12.668","0.005","22.274","0.005","14.366","0.004","90","","123.07","0.02","90","","3397","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag6 N20 O50 P W12 -","- C24 H16 Ag6 N20 O50 P W12 -","- C48 H32 Ag12 N40 O100 P2 W24 -","2","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.0711","0.0623","","","0.1521","0.1578","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208156","10.231","0.005","12.979","0.005","13.33","0.005","96.035","0.005","112.394","0.005","97.434","0.005","1599.6","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Ag7 N20 O40 P W12 -","- C24 H16 Ag7 N20 O40 P W12 -","- C24 H16 Ag7 N20 O40 P W12 -","1","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.0967","0.0623","","","0.1712","0.2002","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208157","12.03","0.005","13.925","0.005","22.761","0.005","95.882","0.005","104.85","0.005","104.044","0.005","3520","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H20 Ag7 K N25 O40 Si W12 -","- C30 H20 Ag7 K N25 O40 Si W12 -","- C60 H40 Ag14 K2 N50 O80 Si2 W24 -","2","1","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.1243","0.0749","","","0.1768","0.2028","","","","","","1.021","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208158","12.004","0.005","13.943","0.005","22.746","0.005","95.776","0.005","105.206","0.005","104.265","0.005","3504","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H40 Ag14 Ge2 Mo24 N50 Na2 O81 -","- C60 H40 Ag14 Ge2 Mo24 N50 Na2 O81 -","- C60 H40 Ag14 Ge2 Mo24 N50 Na2 O81 -","1","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.1517","0.066","","","0.158","0.214","","","","","","1.006","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208159","9.2264","0.0003","7.7926","0.0003","25.4538","0.0009","90","","90","","90","","1830.07","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Cd O5 -","- C8 H8 Cd O5 -","- C64 H64 Cd8 O40 -","8","1","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.038","0.0347","","","0.0884","0.0895","","","","","","1.275","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208160","12.1516","0.0005","10.0138","0.0003","17.5544","0.0005","90","","107.844","0.004","90","","2033.33","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Cd2 N4 O13 -","- C40 H32 Cd2 N4 O13 -","- C80 H64 Cd4 N8 O26 -","2","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0307","0.0242","","","0.0662","0.068","","","","","","1.064","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208161","7.1646","0.0003","9.1391","0.0005","14.6408","0.0007","74.03","0.004","79.564","0.004","83.527","0.004","904.4","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 O20 Zn5 -","- C32 H34 O20 Zn5 -","- C32 H34 O20 Zn5 -","1","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0604","0.0507","","","0.1413","0.1489","","","","","","1.07","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208162","18.23","0.0004","18.23","0.0004","17.1118","0.0005","90","","90","","120","","4924.9","0.2","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C18 H18 N2 O5 Zn -","- C18 H16 N2 O4 Zn -","- C162 H144 N18 O36 Zn9 -","9","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0847","0.0794","","","0.2133","0.2198","","","","","","1.082","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208163","10.0635","0.0005","6.1226","0.0002","19.9763","0.0009","90","","103.34","0.005","90","","1197.63","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cu N O4 -","- C13 H12 Cu N O4 -","- C52 H48 Cu4 N4 O16 -","4","1","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0412","0.0308","","","0.0799","0.0821","","","","","","0.993","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208164","7.316","0.002","32.023","0.005","16.533","0.003","90","","99.91","0.02","90","","3815.6","1.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 F12 Mn3 O11 -","- C34 H20 F12 Mn3 O11 -","- C136 H80 F48 Mn12 O44 -","4","1","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","powder diffraction","","1.5405","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208165","7.127","0.001","31.803","0.004","16.424","0.002","90","","99.89","0.02","90","","3667.3","0.9","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 Co3 F12 O11 -","- C34 H20 Co3 F12 O11 -","- C136 H80 Co12 F48 O44 -","4","1","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","powder diffraction","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208166","7.085","0.002","31.766","0.007","16.404","0.004","90","","99.78","0.04","90","","3638.3","1.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 F12 Ni3 O11 -","- C34 H20 F12 Ni3 O11 -","- C136 H80 F48 Ni12 O44 -","4","1","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","powder diffraction","","1.5405","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208167","19.0301","0.0014","7.2336","0.0005","20.5002","0.0015","90","","106.629","0.001","90","","2704","0.3","273","2","273","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C51 H25 Co2 F18 O12 -","- C51 H25 Co2 F18 O12 -","- C102 H50 Co4 F36 O24 -","2","0.5","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","","","0.71073","MoKα","","0.0583","0.0461","","","0.1279","0.1344","","","","","","1.058","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208168","31.9337","0.0015","7.3362","0.0003","22.4953","0.0011","90","","95.275","0.002","90","","5247.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H25 F18 Mn2 O12 -","- C51 H25 F18 Mn2 O12 -","- C204 H100 F72 Mn8 O48 -","4","0.5","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","","","1.54178","CuKα","","0.0526","0.0399","","","0.1108","0.1169","","","","","","1.145","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208169","13.444","0.001","11.48","0.001","12.434","0.001","90","","113.736","0.001","90","","1756.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nitrofurantoin:citric acid cocrystal","Nitrofurantoin:citric acid cocrystal","","- C14 H14 N4 O12 -","- C14 H14 N4 O12 -","- C56 H56 N16 O48 -","4","1","","Alhalaweh, Amjad; George, Sumod; Basavoju, Srinivas; Childs, Scott L.; Rizvi, Syed A. A.; Velaga, Sitaram P.","Pharmaceutical cocrystals of nitrofurantoin: screening, characterization and crystal structure analysis","CrystEngComm","2012","14","15","5078","","10.1039/c2ce06602e","","","0.71073","MoKα","","0.0936","0.0482","","","0.1063","0.1268","","","","","","1.012","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208170","7.212","0.0006","27.7094","0.0017","12.0909","0.0009","90","","91.789","0.008","90","","2415.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O11 -","- C24 H22 N4 O11 -","- C96 H88 N16 O44 -","4","1","","Alhalaweh, Amjad; George, Sumod; Basavoju, Srinivas; Childs, Scott L.; Rizvi, Syed A. A.; Velaga, Sitaram P.","Pharmaceutical cocrystals of nitrofurantoin: screening, characterization and crystal structure analysis","CrystEngComm","2012","14","15","5078","","10.1039/c2ce06602e","","","1.54178","CuKα","","0.1111","0.0891","","","0.2177","0.2326","","","","","","1.016","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208171","12.228","0.002","13.654","0.003","16.958","0.003","77.04","0.01","71.34","0.01","87.9","0.01","2612.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H42 Co2 N6 O8 -","- C60 H42 Co2 N6 O8 -","- C120 H84 Co4 N12 O16 -","2","1","","Saha, Rajat; Kumar, Sanjay","{[Co2(ndc)2(bpee)2](bpee)}: a 3D multifunctional MOF","CrystEngComm","2012","14","15","4980","","10.1039/c2ce25092f","","","0.71073","MoKα","","0.1045","0.049","","","0.1171","0.1348","","","","","","0.811","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208172","3.7849","0.0001","7.6754","0.0003","18.1962","0.0006","90","","94.825","0.002","90","","526.74","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","((4-(hydrazinylcarbonyl)pyridinium)?(but-2-yn-1-olate)","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C20 H22 N6 O6 -","2","1","","Chiya, Thabang J.; Lemmerer, Andreas","Stoichiometric variation in two molecular salts of the anti-tuberculosis drug isoniazid with 2-butynoic acid","CrystEngComm","2012","14","16","5124","","10.1039/c2ce25101a","","","0.71073","MoKα","","0.0335","0.0316","","","0.0904","0.093","","","","","","0.964","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208173","6.8587","0.0007","13.6008","0.0015","31.175","0.003","90","","90","","90","","2908.1","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-(diazan-2-ium-1-ylcarbonyl)pyridinium)?(but-2-yn-1-olate)2","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C112 H120 N24 O40 -","8","1","","Chiya, Thabang J.; Lemmerer, Andreas","Stoichiometric variation in two molecular salts of the anti-tuberculosis drug isoniazid with 2-butynoic acid","CrystEngComm","2012","14","16","5124","","10.1039/c2ce25101a","","","0.71073","MoKα","","0.1283","0.0641","","","0.1467","0.1724","","","","","","0.989","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208174","10.3415","0.0009","10.7795","0.001","12.8133","0.0012","90","","110.643","0.002","90","","1336.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cu N3 S2 -","- C13 H11 Cu N3 S2 -","- C52 H44 Cu4 N12 S8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.71073","MoKα","","0.0482","0.0408","","","0.0988","0.1029","","","","","","1.088","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208175","19.58","0.002","7.2751","0.0005","19.7325","0.0017","90","","111.773","0.011","90","","2610.3","0.4","291","2","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cu2 N6 S4 -","- C25 H20 Cu2 N6 S4 -","- C100 H80 Cu8 N24 S16 -","4","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","1.5418","CuKα","","0.0533","0.042","","","0.1027","0.1099","","","","","","1.036","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208176","9.8393","0.0004","14.0296","0.0004","17.5897","0.0006","90","","100.459","0.003","90","","2387.76","0.15","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cu I3 N2 -","- C22 H22 Cu I3 N2 -","- C88 H88 Cu4 I12 N8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.082","0.0465","","","0.0963","0.1115","","","","","","1.037","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208177","11.1086","0.0004","14.0384","0.0005","16.2597","0.0005","90","","97.968","0.003","90","","2511.17","0.15","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Ag I3 N2 -","- C23 H24 Ag I3 N2 -","- C92 H96 Ag4 I12 N8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.0502","0.0334","","","0.0576","0.063","","","","","","1.055","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208178","12.219","0.005","17.56","0.003","12.807","0.003","90","","105.75","0.03","90","","2644.8","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Ag2 Br4 K0 N2 S0 -","- C24 H24 Ag2 Br4 N2 -","- C96 H96 Ag8 Br16 N8 -","4","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.71073","MoKα","","0.0729","0.0445","","","0.1017","0.1165","","","","","","0.925","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208179","19.2749","0.0009","13.4627","0.0003","13.9207","0.0007","90","","127.679","0.007","90","","2859","0.3","291.15","","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Ag2 I4 N2 -","- C24 H26 Ag2 I4 N2 -","- C96 H104 Ag8 I16 N8 -","4","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.0407","0.0323","","","0.0675","0.0715","","","","","","1.068","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208180","8.1247","0.0007","9.132","0.0008","10.6624","0.001","101.94","0.008","94.339","0.008","107.73","0.008","729.01","0.12","290.65","","290.65","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Cu N3 S2 -","- C14 H13 Cu N3 S2 -","- C28 H26 Cu2 N6 S4 -","2","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.1022","0.0794","","","0.188","0.2099","","","","","","1.04","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208181","11.2795","0.0006","11.5483","0.0005","14.8788","0.0007","102.264","0.004","103.873","0.004","113.119","0.004","1625.26","0.17","291.15","","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cu2 I4 N3 O -","- C27 H33 Cu2 I4 N3 O -","- C54 H66 Cu4 I8 N6 O2 -","2","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.0579","0.0383","","","0.0737","0.0814","","","","","","1.014","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208182","11.1577","0.0017","13.17","0.002","17.106","0.003","70.799","0.003","77.497","0.003","72.017","0.003","2239.3","0.6","298","2","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H80 Cu6 I8 Mo2 N8 O4 S6 -","- C72 H80 Cu6 I8 Mo2 N8 O4 S6 -","- C72 H80 Cu6 I8 Mo2 N8 O4 S6 -","1","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.71073","MOKα","","0.0981","0.0784","","","0.1935","0.2053","","","","","","1.094","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208183","10.8645","0.0006","17.4604","0.0006","7.1481","0.0004","90","","99.857","0.005","90","","1335.97","0.12","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cu N3 S2 -","- C12 H9 Cu N3 S2 -","- C48 H36 Cu4 N12 S8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","1.5418","CuKα","","0.0437","0.034","","","0.0887","0.0958","","","","","","1.045","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208184","9.253","0.003","14.658","0.004","16.195","0.005","90","","90","","90","","2196.5","1.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Br2 N4 O2 -","- C16 H32 Br2 N4 O2 -","- C64 H128 Br8 N16 O8 -","4","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.71073","MoKα","","0.0263","0.0204","","","0.0481","0.0502","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208185","7.3281","0.0007","12.81","0.0012","11.3249","0.001","90","","95.503","0.002","90","","1058.2","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Br2 N4 -","- C18 H32 Br2 N4 -","- C36 H64 Br4 N8 -","2","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.71073","MoKα","","0.0346","0.029","","","0.0695","0.0717","","","","","","1.06","","","","has coordinates,has disorder","301863","2025-08-22","13:07:29",""
"7208186","6.1057","0.0005","14.4418","0.0013","13.3895","0.0012","90","","96.981","0.002","90","","1171.9","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 B2 F8 N4 -","- C18 H32 B2 F8 N4 -","- C36 H64 B4 F16 N8 -","2","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.6703","synchrotron","","0.0987","0.0861","","","0.255","0.271","","","","","","1.07","","","","has coordinates,has disorder","301863","2025-08-22","13:07:29",""
"7208187","8.402","0.002","8.826","0.002","23.752","0.005","79.88","0.002","86.97","0.002","63.148","0.002","1546.3","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28.4 H45.6 Br2 N4 -","- C20 H36 Br2 N4 -","- C40 H72 Br4 N8 -","2","1","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.6703","synchrotron","","0.0716","0.0418","","","0.1","0.107","","","","","","0.86","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208188","5.1006","0.0007","6.1168","0.0008","6.9894","0.001","85.396","0.011","82.199","0.012","85.176","0.011","214.76","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","Fumaric acid:Pyrazine cocrystal","","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","1","0.5","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","","","0.7107","MoKα","","0.088","0.0591","","","0.1271","0.1521","","","","","","1.068","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208189","6.9344","0.00024","13.59704","0.00073","14.51054","0.00072","90","","122.209","0.0029","90","","1157.62","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazine:phtalic acid cocrystal","pyrazine:phthalic acid cocrystal","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.034","1.064","","","","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208190","8.5311","0.0004","5.1286","0.0002","10.2947","0.0005","90","","103.012","0.005","90","","438.85","0.04","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C16 H20 N4 O8 -","2","0.5","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","","","1.5418","CuKα","","0.0529","0.0509","","","0.1348","0.1368","","","","","","1.044","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208191","3.81056","0.0001","7.07204","0.00032","11.50344","0.00044","94.9505","0.0015","93.5324","0.002","115.275","0.0018","277.604","0.019","295","","295","","","","","","","","","4","P -1","-P 1","2","pyrazine:terephthalic acid cocrystal","pyrazine:terephthalic acid cocrystal","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","1","0.5","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.016","2.445","","","","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208192","8.6405","0.0012","16.365","0.003","26.485","0.004","90","","90","","90","","3745","1","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 Pr S4 Sb -","- C8 H17 N6 Pr S4 Sb -","- C64 H136 N48 Pr8 S32 Sb8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0458","0.0432","","","0.0982","0.0989","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208193","8.6296","0.0013","16.264","0.003","26.393","0.004","90","","90","","90","","3704.3","1","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 Nd S4 Sb -","- C8 H17 N6 Nd S4 Sb -","- C64 H136 N48 Nd8 S32 Sb8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0419","0.0323","","","0.0706","0.0818","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208194","8.6501","0.0005","16.2077","0.0009","26.3582","0.0017","90","","90","","90","","3695.4","0.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 S4 Sb Sm -","- C8 H17 N6 S4 Sb Sm -","- C64 H136 N48 S32 Sb8 Sm8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0592","0.0494","","","0.1036","0.1079","","","","","","1.155","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208195","15.868","0.005","9.12","0.003","13.562","0.004","90","","108.982","0.007","90","","1855.9","1","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 Eu N6 S4 Sb -","- C8 H26 Eu N6 S4 Sb -","- C32 H104 Eu4 N24 S16 Sb4 -","4","0.5","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0412","0.0326","","","0.0676","0.0699","","","","","","1.119","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208196","15.82","0.003","9.1718","0.0014","13.531","0.002","90","","108.997","0.004","90","","1856.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 Dy N6 S4 Sb -","- C8 H26 Dy N6 S4 Sb -","- C32 H104 Dy4 N24 S16 Sb4 -","4","0.5","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.7107","MoKα","","0.0259","0.0248","","","0.0617","0.0627","","","","","","1.111","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208197","16.5428","0.0003","25.8974","0.0004","22.5225","0.0004","90","","98.881","0.001","90","","9533.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(en)(tren)]4Sb14S25","","","- C32 H104 N24 Ni4 S25 Sb14 -","- C32 H104 N24 Ni4 S25 Sb14 -","- C128 H416 N96 Ni16 S100 Sb56 -","4","1","","Seidlhofer, Beatrix; Näther, Christian; Bensch, Wolfgang","Using a Ni2+ complex as a structure-directing molecule: solvothermal synthesis and properties of [Ni(en)(tren)]4Sb14S25 featuring an unprecedented three-dimensional network architecture","CrystEngComm","2012","14","17","5441","","10.1039/c2ce25141h","","","0.71073","MoKα","","0.0469","0.0357","","","0.0763","0.08","","","","","","1.05","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208198","13.576","0.003","17.145","0.003","18.09","0.004","86.72","0.03","79.1","0.03","77.04","0.03","4028.9","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(bpy)0.5(Dy3(ip)4(phen)4(H2O))2H2O","","","- C85 H58 Dy3 N9 O19 -","- C85 H58 Dy3 N9 O19 -","- C170 H116 Dy6 N18 O38 -","2","1","","Cai, Bowei; Ren, Yanwei; Jiang, Huanfeng; Zheng, De; Shi, Dabin; Qian, Yuying; Chen, Jun","A mixed-valence lanthanide metal‒organic framework, templated by 2,2′-bipyridine formed in situ reaction: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","16","5285","","10.1039/c2ce25160d","","","0.71073","MoKα","","0.0842","0.0803","","","0.1323","0.135","","","","","","1.078","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208199","20.6365","0.0004","18.1133","0.0004","12.6984","0.0002","90","","90","","90","","4746.6","0.16","293","2","293","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C42 H37 B Cd3 F5 N7 O8 -","- C42 H37 B Cd3 F5 N7 O8 -","- C168 H148 B4 Cd12 F20 N28 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0348","0.0331","","","0.0874","0.0882","","","","","","1.072","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208200","22.028","0.006","12.607","0.003","23.179","0.006","90","","103.76","0.005","90","","6252","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 B2 Cd3 F9 N11 O8 -","- C60 H54 B2 Cd3 F9 N11 O8 -","- C240 H216 B8 Cd12 F36 N44 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0291","0.0269","","","0.0683","0.0703","","","","","","1.045","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208201","21.892","0.01","12.609","0.005","23.263","0.01","90","","102.894","0.007","90","","6260","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 B2 Cd3 F9 N11 O8 -","- C58 H48 B2 Cd3 F9 N11 O8 -","- C232 H192 B8 Cd12 F36 N44 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0671","0.0504","","","0.0987","0.109","","","","","","1.095","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208202","7.879","0.014","13.43","0.02","20.78","0.04","75.33","0.03","83.25","0.02","87.71","0.03","2112","6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Ba O25 S2 -","- C34 H44 Ba O25 S2 -","- C68 H88 Ba2 O50 S4 -","2","1","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal–organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.1197","0.0698","","","0.1544","0.1815","","","","","","1.037","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208203","6.9077","0.0019","39.21","0.011","13.137","0.004","90","","95.785","0.004","90","","3540","1.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Ba O22 S2 -","- C30 H34 Ba O22 S2 -","- C120 H136 Ba4 O88 S8 -","4","1","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.1","0.0511","","","0.0853","0.0969","","","","","","0.928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208204","7.752","0.007","9.78","0.008","15.148","0.013","77.246","0.013","84.484","0.014","70.415","0.012","1055","1.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 Ba O26 S2 -","- C32 H46 Ba O26 S2 -","- C32 H46 Ba O26 S2 -","1","0.5","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.0684","0.0506","","","0.1084","0.115","","","","","","0.956","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208205","7.237","0.001","8.322","0.001","37.233","0.007","93.16","0.01","93.7","0.01","90.82","0.01","2234","0.6","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Ba O28 S2 -","- C34 H46 Ba O28 S2 -","- C68 H92 Ba2 O56 S4 -","2","1","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.07","0.044","","","0.1019","0.1151","","","","","","1.048","","","","has coordinates","189184","2020-10-21","18:00:00",""
"7208206","13.302","0.003","7.5138","0.0015","16.637","0.003","90","","103.61","0.03","90","","1616.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N8 Ni -","- C14 H18 N8 Ni -","- C56 H72 N32 Ni4 -","4","1","","Lu, Zhengliang; Gamez, Patrick; Kou, Hui-Zhong; Fan, Chunhua; Zhang, Haitao; Sun, Guoxin","Spin canting and metamagnetism in the two azido-bridged 1D complexes [Ni(3,5-dmpy)2(N3)2]n and [Co1.5(3,5-dmpy)3(N3)3]n","CrystEngComm","2012","14","15","5035","","10.1039/c2ce25174d","","","0.71073","MoKα","","0.0907","0.0413","","","0.1006","0.1125","","","","","","0.96","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208207","11.559","0.002","14.136","0.003","16.174","0.003","90","","98.08","0.03","90","","2616.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Co1.5 N12 -","- C21 H27 Co1.5 N12 -","- C84 H108 Co6 N48 -","4","1","","Lu, Zhengliang; Gamez, Patrick; Kou, Hui-Zhong; Fan, Chunhua; Zhang, Haitao; Sun, Guoxin","Spin canting and metamagnetism in the two azido-bridged 1D complexes [Ni(3,5-dmpy)2(N3)2]n and [Co1.5(3,5-dmpy)3(N3)3]n","CrystEngComm","2012","14","15","5035","","10.1039/c2ce25174d","","","0.71073","MoKα","","0.061","0.0474","","","0.122","0.1308","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208208","14.4403","0.0004","27.2329","0.0006","9.8291","0.0003","90","","90","","90","","3865.31","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H30 Cd4 O17 -","- C42 H30.002 Cd4.0004 O17.002 -","- C168 H120.008 Cd16.0016 O68.008 -","4","0.5","","Fang, Shao-Ming; Chen, Min; Yang, Xiao-Gang; Wang, Cong; Du, Miao; Liu, Chun-Sen","An unusual (4,10)-connected 3-D metal‒organic framework based on non-planar tricarboxyl tecton and tetracadmium(ii) secondary building units","CrystEngComm","2012","14","16","5299","","10.1039/c2ce25194a","","","1.54178","CuKα","","0.0706","0.063","","","0.1528","0.1578","","","","","","1.109","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208209","11.134","0.002","16.751","0.003","9.859","0.002","90","","106.73","0.03","90","","1760.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Ag N2 O6 -","- C15 H24 Ag N2 O6 -","- C60 H96 Ag4 N8 O24 -","4","1","","Luo, Geng-Geng; Wu, Dong-Liang; Wu, Ji-Huai; Xia, Jiu-Xu; Liu, Li; Dai, Jing-Cao","Direct observation of conformational change of adipate dianions encapsulated in water clusters","CrystEngComm","2012","14","17","5377","","10.1039/c2ce25200g","","","0.71073","MoKα","","0.0339","0.0271","","","0.082","0.0941","","","","","","1.127","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208210","8.9962","0.0018","25.246","0.005","35.1","0.007","90","","90","","90","","7972","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H56 Ag2 N4 O14 -","- C32 H56 Ag2 N4 O14 -","- C256 H448 Ag16 N32 O112 -","8","1","","Luo, Geng-Geng; Wu, Dong-Liang; Wu, Ji-Huai; Xia, Jiu-Xu; Liu, Li; Dai, Jing-Cao","Direct observation of conformational change of adipate dianions encapsulated in water clusters","CrystEngComm","2012","14","17","5377","","10.1039/c2ce25200g","","","0.71073","MoKα","","0.1137","0.0701","","","0.1878","0.2159","","","","","","1.036","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208211","14.5232","0.0006","21.131","0.0009","16.0399","0.0007","90","","103.615","0.002","90","","4784.2","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H26 Cd N4 O6 -","- C30 H26 Cd N4 O6 -","- C120 H104 Cd4 N16 O24 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.0965","0.0493","","","0.1038","0.1112","","","","","","1.031","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208212","10.7477","0.0002","36.4644","0.0007","15.9903","0.0003","90","","93.996","0.001","90","","6251.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 Cd2 N10 O16 -","- C62 H53 Cd2 N10 O16 -","- C248 H212 Cd8 N40 O64 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.102","0.0641","","","0.1387","0.1542","","","","","","1.057","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208213","12.23","0.002","14.6964","0.0015","18.117","0.003","90","","94.946","0.014","90","","3244.2","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cd N4 O9 -","- C30 H30 Cd N4 O9 -","- C120 H120 Cd4 N16 O36 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.1088","0.0489","","","0.1006","0.1204","","","","","","1.001","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208214","7.9666","0.0002","13.4111","0.0004","14.7643","0.0004","78.541","0.001","82.979","0.001","89.223","0.001","1534.3","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cd N4 O9.5 S -","- C30 H28 Cd N4 O9.5 S -","- C60 H56 Cd2 N8 O19 S2 -","2","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.0399","0.0338","","","0.083","0.088","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208215","11.299","0.0001","15.7788","0.0002","16.5709","0.0002","90","","109.139","0.001","90","","2791.04","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cd N4 O9 -","- C28 H30 Cd N4 O9 -","- C112 H120 Cd4 N16 O36 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.0486","0.031","","","0.0678","0.0748","","","","","","1.02","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208216","16.6358","0.0013","14.0938","0.0011","19.7424","0.0017","90","","101.88","0.003","90","","4529.7","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 N14 O28 Sm2 -","- C84 H92 N14 O28 Sm2 -","- C168 H184 N28 O56 Sm4 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0505","0.0352","","","0.0777","0.0852","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208217","16.6144","0.0003","14.0677","0.0002","19.7534","0.0003","90","","102.096","0.001","90","","4514.39","0.13","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 Eu2 N14 O28 -","- C84 H92 Eu2 N14 O28 -","- C168 H184 Eu4 N28 O56 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0798","0.0417","","","0.0759","0.0881","","","","","","1.028","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208218","16.5638","0.0002","14.0683","0.0002","19.7449","0.0003","90","","102.227","0.001","90","","4496.68","0.11","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 N14 O28 Tb2 -","- C84 H92 N14 O28 Tb2 -","- C168 H184 N28 O56 Tb4 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0638","0.0374","","","0.0724","0.0821","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208219","16.5259","0.0005","14.0911","0.0004","19.6787","0.0006","90","","102.043","0.001","90","","4481.7","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 Dy2 N14 O28 -","- C84 H92 Dy2 N14 O28 -","- C168 H184 Dy4 N28 O56 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0465","0.0319","","","0.0666","0.0739","","","","","","1","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208220","16.7358","0.0003","14.0425","0.0003","19.7825","0.0004","90","","101.823","0.001","90","","4550.5","0.16","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 N14 O28 Pr2 -","- C84 H92 N14 O28 Pr2 -","- C168 H184 N28 O56 Pr4 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0469","0.0335","","","0.0799","0.0882","","","","","","1.022","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208221","13.6963","0.0009","15.9834","0.0014","17.5498","0.0012","96.547","0.002","109.724","0.001","114.266","0.001","3150.8","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 N12 Nd O26 -","- C59 H51 N12 Nd O26 -","- C118 H102 N24 Nd2 O52 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.1047","0.058","","","0.1147","0.1397","","","","","","1.011","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208222","13.6916","0.0011","15.905","0.0012","17.5187","0.0013","96.56","0.001","109.334","0.001","114.127","0.001","3144.3","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 Eu N12 O26 -","- C59 H51 Eu N12 O26 -","- C118 H102 Eu2 N24 O52 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0776","0.0498","","","0.1025","0.1184","","","","","","1.026","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208223","13.6842","0.0015","15.8378","0.0017","17.499","0.0018","96.651","0.002","109.062","0.002","114.164","0.002","3130.6","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 N12 O26 Tb -","- C59 H51 N12 O26 Tb -","- C118 H102 N24 O52 Tb2 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0879","0.0562","","","0.1247","0.1463","","","","","","1.006","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208224","13.7022","0.001","15.7923","0.0011","17.4802","0.0012","96.643","0.001","108.935","0.001","114.149","0.001","3126.6","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 Er N12 O26 -","- C59 H51 Er N12 O26 -","- C118 H102 Er2 N24 O52 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0643","0.0449","","","0.063","0.0676","","","","","","1.197","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208225","3.9099","0.0001","20.2636","0.0003","15.3093","0.0003","90","","91.346","0.001","90","","1212.6","0.04","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","coumarin-3-carboxylic acid+4,4'-bipyridine","","- C30 H20 N2 O8 -","- C30 H20 N2 O8 -","- C60 H40 N4 O16 -","2","0.5","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.1073","0.0565","","","0.1405","0.1641","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208226","16.3933","0.0006","4.8921","0.0002","16.5326","0.0008","90","","103.209","0.002","90","","1290.8","0.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","coumarin-3-carboxylic acid+4,4'-bipyridylethane","","- C32 H24 N2 O8 -","- C32 H24 N2 O8 -","- C64 H48 N4 O16 -","2","0.5","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.0787","0.0445","","","0.1022","0.1095","","","","","","0.893","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208227","16.2227","0.0004","5.0257","0.0001","16.315","0.0005","90","","100.918","0.001","90","","1306.09","0.06","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","coumarin-3-carboxylic acid+4,4'-bipyridylethene","","- C32 H22 N2 O8 -","- C32 H22 N2 O8 -","- C64 H44 N4 O16 -","2","0.5","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.054","0.0413","","","0.1003","0.1089","","","","","","1.042","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208228","13.8797","0.0002","12.9776","0.0005","7.3847","0.0006","90","","90.383","0.002","90","","1330.14","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","coumarin-3-carboxylic acid+pyridine-2,6-diamine","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C60 H52 N12 O16 -","4","1","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.0549","0.0343","","","0.0696","0.0726","","","","","","0.981","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208229","8.893","0.002","9.167","0.002","11.326","0.003","101.69","0.02","112.91","0.02","99.21","0.02","803.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 N3 O7 Zn2 -","- C17 H11 N3 O7 Zn2 -","- C34 H22 N6 O14 Zn4 -","2","1","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel complexes based on hexagonal-planar {Co6} and rhombic {Zn4} clusters with different eight-connected topologies","CrystEngComm","2012","14","17","5634","","10.1039/c2ce25224d","","","0.71073","MoKα","","0.0383","0.031","","","0.0731","0.0754","","","","","","0.986","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208230","22.2357","0.0003","22.2357","0.0003","33.9623","0.0005","90","","90","","90","","16791.9","0.4","293","2","293","2","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C19 H18 Cl0.5 Co1.5 N6 O3.5 -","- C19 H16.5 Cl0.5 Co1.5 N6 O3.5 -","- C304 H264 Cl8 Co24 N96 O56 -","16","1","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel complexes based on hexagonal-planar {Co6} and rhombic {Zn4} clusters with different eight-connected topologies","CrystEngComm","2012","14","17","5634","","10.1039/c2ce25224d","","","0.71073","MoKα","","0.0723","0.0649","","","0.1844","0.193","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208231","7.094","0.005","7.094","0.005","16.721","0.015","90","","90","","120","","728.7","1","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- B6 Ba2 Mg O12 -","- B6 Ba2 Mg O12 -","- B18 Ba6 Mg3 O36 -","3","0.166667","","Li, R. K.; Ma, Yingying","Chemical engineering of a birefringent crystal transparent in the deep UV range","CrystEngComm","2012","14","17","5421","","10.1039/c2ce25240f","","","0.71075","MoKα","","0.0321","0.0278","","","0.0595","0.0686","","","","","","1.073","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208232","9.0076","0.0014","9.0531","0.0014","10.02","0.003","101.061","0.003","109.377","0.003","109.873","0.002","680.8","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Fe1.5 N O10 P2 -","- C8 H11 Fe1.5 N O10 P2 -","- C16 H22 Fe3 N2 O20 P4 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0806","0.0506","","","0.1023","0.1192","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208233","8.9878","0.0013","8.9936","0.0013","9.906","0.002","100.295","0.003","109.135","0.002","110.215","0.002","670.28","0.19","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Co1.5 N O10 P2 -","- C8 H11 Co1.5 N O10 P2 -","- C16 H22 Co3 N2 O20 P4 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0524","0.0394","","","0.0907","0.099","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208234","8.9851","0.0011","9.067","0.0011","9.88","0.002","100.371","0.002","108.901","0.002","110.549","0.002","672.71","0.18","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 N O10 P2 Zn1.5 -","- C8 H11 N O10 P2 Zn1.5 -","- C16 H22 N2 O20 P4 Zn3 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0519","0.0417","","","0.1144","0.1212","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208235","8.689","0.003","9.088","0.003","9.476","0.005","109.937","0.005","100.801","0.005","110.262","0.004","619","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H9 Cu1.5 N O9 P2 -","- C8 H9 Cu1.5 N O9 P2 -","- C16 H18 Cu3 N2 O18 P4 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0868","0.0568","","","0.1238","0.1423","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208236","8.915","0.0005","18.9641","0.0014","9.7505","0.0005","90","","112.112","0.006","90","","1527.22","0.17","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl2 Cu2 N8 O10 -","- C22 H34 Cl2 Cu2 N8 O10 -","- C44 H68 Cl4 Cu4 N16 O20 -","2","0.5","","Banerjee, Ishita; Dolai, Malay; Jana, Atish Dipankar; Das, Kalyan K.; Ali, Mahammad","σ-Aromaticity in dinuclear copper(ii) complexes: Novel interaction between perchlorate anion and σ-aromatic [Cu2X2] (X = N or O) core","CrystEngComm","2012","14","15","4972","","10.1039/c2ce25265a","","","0.71073","MoKα","","0.03","0.0238","","","0.0603","0.0633","","","","","","0.971","","","","has coordinates","301863","2025-08-22","13:07:29",""
"7208237","10.5249","0.0011","11.8458","0.0013","14.1564","0.0015","92.248","0.004","96.654","0.003","94.316","0.003","1746.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H32 Cl2 Cu2 N14 O9 -","- C21 H32 Cl2 Cu2 N14 O9 -","- C42 H64 Cl4 Cu4 N28 O18 -","2","1","","Banerjee, Ishita; Dolai, Malay; Jana, Atish Dipankar; Das, Kalyan K.; Ali, Mahammad","σ-Aromaticity in dinuclear copper(ii) complexes: Novel interaction between perchlorate anion and σ-aromatic [Cu2X2] (X = N or O) core","CrystEngComm","2012","14","15","4972","","10.1039/c2ce25265a","","","0.71073","MoKα","","0.0755","0.0428","","","0.0843","0.0976","","","","","","1.038","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208238","15.74","0.0004","15.1252","0.0004","10.9849","0.0003","90","","94.104","0.001","90","","2608.48","0.12","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","2-((1S,2S,4R,8S,9S,11S,12R,13S)-12'-fluoro-11'-hydroxy-9',13'- dimethyl -16'-oxo-5',7'-dioxaspiro(cyclopentane-1,6'-pentacyclo (10.8.0.02,9.04,8.013,18)icosane)-14',17'-dien-8'-yl)-2-oxoethyl acetate","2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12'-fluoro-11'-hydroxy-9',13'-dimethyl -16'-oxo-5',7'-dioxaspiro[cyclopentane-1,6'-pentacyclo [10.8.0.02,9.04,8.013,18]icosane]-14',17'-dien-8'-yl]-2-oxoethyl acetate","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C112 H140 F4 O28 -","4","2","","Pagola, Silvina; Stephens, Peter W.","Structural study of an unusually large molecular solid from powder diffraction: the sequential unravelling of hydrogen bonding and van der Waals interactions contributing to the Z′ = 2 crystal packing of amcinonide","CrystEngComm","2012","14","16","5349","","10.1039/c2ce25274k","powder diffraction","","0.69733","synchrotron","","","","","","","","","0.0611","1.46","","","","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208239","10.6908","0.0003","10.6908","0.0003","92.65","0.002","90","","90","","120","","9170.6","0.4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C54 H56 Cd Cl2 N18 O12 -","- C54 H48 Cd Cl2 N18 O12 -","- C324 H288 Cd6 Cl12 N108 O72 -","6","0.166667","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel Cd(ii) complexes with unprecedented four- and six-fold interpenetration","CrystEngComm","2012","14","16","5198","","10.1039/c2ce25282a","","","0.71073","MoKα","","0.0562","0.0491","","","0.1529","0.161","","","","","","1.103","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208240","15.2257","0.0004","9.4717","0.0003","21.6848","0.0008","90","","124.913","0.002","90","","2564.4","0.15","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H23.5 Cd N6 O6 -","- C26 H24 Cd N6 O6 -","- C104 H96 Cd4 N24 O24 -","4","1","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel Cd(ii) complexes with unprecedented four- and six-fold interpenetration","CrystEngComm","2012","14","16","5198","","10.1039/c2ce25282a","","","0.71073","MoKα","","0.0391","0.0324","","","0.0781","0.083","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208241","6.3752","0.0013","7.1912","0.0014","8.2477","0.0016","73.61","0.03","68.38","0.03","66.73","0.03","318.76","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H6 Li O6 S -","- C3 H6 Li O6 S -","- C6 H12 Li2 O12 S2 -","2","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0464","0.0306","","","0.0697","0.0927","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208242","4.8192","0.001","7.1534","0.0014","8.3947","0.0017","92.21","0.03","93.66","0.03","101.87","0.03","282.23","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H4 Li O5 S -","- C3 H4 Li O5 S -","- C6 H8 Li2 O10 S2 -","2","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0507","0.0451","","","0.1095","0.1252","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208243","36.593","0.007","12.589","0.003","10.619","0.002","90","","90","","90","","4891.8","1.8","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H38 Li12 O49 S6 -","- C18 H38 Li12 O49 S6 -","- C72 H152 Li48 O196 S24 -","4","0.5","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0558","0.0496","","","0.1239","0.129","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208244","18.13","0.004","9.0962","0.0018","13.786","0.003","90","","90","","90","","2273.5","0.8","295","2","295","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C6 H8 Li N O8 S2 -","- C6 H8 Li N O8 S2 -","- C48 H64 Li8 N8 O64 S16 -","8","","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0324","0.0309","","","0.0911","0.0922","","","","","","1.084","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208245","7.7858","0.0016","8.8783","0.0018","9.1955","0.0018","83","0.03","66.68","0.03","75.45","0.03","564.8","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Li2 O10 S2 -","- C6 H8 Li2 O10 S2 -","- C12 H16 Li4 O20 S4 -","2","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0373","0.0295","","","0.078","0.1018","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208246","13.552","0.003","15.623","0.003","7.5203","0.0015","90","","90","","90","","1592.2","0.6","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H7 Li2 O7 S -","- C3 H7 Li2 O7 S -","- C24 H56 Li16 O56 S8 -","8","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0363","0.0328","","","0.0902","0.0951","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208247","12.7186","0.0018","12.7186","0.0018","14.914","0.003","90","","90","","120","","2089.3","0.6","153","","153","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K6 Li3 O30 Sc2 -","- B15 K6 Li2.996 O30 Sc2 -","- B45 K18 Li8.988 O90 Sc6 -","3","0.166667","","Zhao, Sangen; Zhang, Guochun; Yao, Jiyong; Wu, Yicheng","K6Li3Sc2B15O30: A new nonlinear optical crystal with a short absorption edge","CrystEngComm","2012","14","16","5209","","10.1039/c2ce25304f","","","0.71073","MoKα","","0.0663","0.0607","","","0.0925","0.0946","","","","","","1.399","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208248","10.5079","0.0009","12.9602","0.0011","13.1352","0.0011","93.012","0.006","111.868","0.005","112.108","0.005","1498.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 N3 O3 -","- C14 H23 N3 O3 -","- C56 H92 N12 O12 -","4","2","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71069","MoKα","","0.0942","0.0536","","","0.1378","0.1684","","","","","","1.099","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208249","9.3456","0.001","15.431","0.0017","16.3804","0.0018","86.584","0.003","73.955","0.003","84.942","0.003","2259.9","0.4","227","2","227","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H64 N8 O12 -","- C43 H64 N8 O12 -","- C86 H128 N16 O24 -","2","1","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71073","MoKα","","0.0995","0.0466","","","0.0945","0.1074","","","","","","0.939","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208250","12.226","0.002","11.891","0.002","13.689","0.002","90","","90","","90","","1990.1","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Paracetamol_morpholine","","","- C10 H13.5 N1.5 O2.5 -","- C10 H13.5 N O3 -","- C80 H108 N8 O24 -","8","1","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71069","MoKα","","0.0526","0.0459","","","0.1476","0.1524","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208251","17.236","0.002","6.6721","0.0008","12.6429","0.0015","90","","104.02","0.002","90","","1410.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O5 Sr -","- C15 H10 N2 O5 Sr -","- C60 H40 N8 O20 Sr4 -","4","1","","Guo, Mengwei; Chen, Nan; Yue, Zhifang; Zhang, Yu; Li, Gang","Two unprecedented strontium(ii) and cadmium(ii) MOFs constructed from 2-naphthyl imidazole dicarboxylate ligand","CrystEngComm","2012","14","15","4955","","10.1039/c2ce25314c","","","0.71073","MoKα","","0.0765","0.0437","","","0.0827","0.0896","","","","","","1.07","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208252","22.658","0.003","22.658","0.003","14.766","0.004","90","","90","","90","","7581","2","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H14 Cd N2 O5 -","- C17 H14 Cd N2 O5 -","- C272 H224 Cd16 N32 O80 -","16","1","","Guo, Mengwei; Chen, Nan; Yue, Zhifang; Zhang, Yu; Li, Gang","Two unprecedented strontium(ii) and cadmium(ii) MOFs constructed from 2-naphthyl imidazole dicarboxylate ligand","CrystEngComm","2012","14","15","4955","","10.1039/c2ce25314c","","","0.71073","MoKα","","0.0974","0.0694","","","0.2166","0.2419","","","","","","1.013","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208253","3.7935","0.0002","27.8954","0.0016","7.0172","0.0004","90","","94.891","0.003","90","","739.86","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-methoxysalicylic acid","'3-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0532","0.042","","","0.1122","0.1187","","","","","","1.083","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208254","17.9971","0.0003","14.3789","0.0002","6.7337","0.0001","90","","91.121","0.001","90","","1742.2","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-methoxysalicylic acid monohydrate","3-methoxy-2-hydroxobenzoic acid monohydrate","","- C8 H10 O5 -","- C8 H10 O5 -","- C64 H80 O40 -","8","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0435","0.0368","","","0.0912","0.0959","","","","","","1.062","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208255","3.5943","0.0002","21.115","0.002","10.7227","0.001","90","","98.95","0.006","90","","803.88","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-nitro-2-hydroxybenzoic acid","3-nitro-2-hydroxybenzoic acid","","- C7 H7 N O6 -","- C7 H5 N O6 -","- C28 H20 N4 O24 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1163","0.0669","","","0.137","0.1548","","","","","","1.068","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208256","13.5482","0.0008","5.0245","0.0003","12.9394","0.0006","90","","90","","90","","880.82","0.08","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-actyamino-2-hydroxobenzoic acid","4-actyamino-2-hydroxobenzoic acid","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0415","0.0368","","","0.0913","0.0948","","","","","","1.055","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208257","7.1371","0.0003","3.7278","0.0002","24.4465","0.0012","90","","94.386","0.002","90","","648.51","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-amino-2-hydroxobenzoic acid","4-amino-2-hydroxobenzoic acid","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.056","0.0458","","","0.1123","0.1221","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208258","3.7241","0.0002","14.4178","0.0008","12.9156","0.0006","90","","97.933","0.003","90","","686.85","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-chlorosalicylic acid","4-chloro-2-hydroxobenzoic acid","","- C7 H5 Cl O3 -","- C7 H5 Cl O3 -","- C28 H20 Cl4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0638","0.0488","","","0.0944","0.1033","","","","","","1.098","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208259","4.9629","0.0002","11.0915","0.0008","13.6559","0.0009","90","","98.788","0.004","90","","742.88","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-methoxy-2-hydroxobenzoic acid","4-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.064","0.0481","","","0.1178","0.1274","","","","","","1.098","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208260","3.8685","0.0003","7.238","0.0009","13.2142","0.0015","100.756","0.005","93.271","0.007","90.788","0.007","362.8","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","4-methylsalicylic acid","4-methyl-2-hydroxobenzoic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C16 H16 O6 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1054","0.0653","","","0.1704","0.1947","","","","","","1.077","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208261","3.7472","0.0004","11.5109","0.0017","21.979","0.003","90","","90","","90","","948","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-acetylamino-2-hydroxobenzoic acid monohydrate","5-acetylamino-2-hydroxobenzoic acid monohydrate","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C36 H44 N4 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1151","0.0804","","","0.1573","0.1788","","","","","","1.082","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208262","3.7239","0.0002","7.3696","0.0004","23.3107","0.0011","90","","91.806","0.003","90","","639.41","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-aminosalicylic_acid","5-amino-2-hydroxobenzoic acid monohydrate","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.068","0.046","","","0.1159","0.127","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208263","4.8514","0.0001","11.6936","0.0003","14.4341","0.0003","109.991","0.001","98.066","0.002","101.168","0.001","735.75","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-bromosalicylic acid alpha","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C28 H20 Br4 O12 -","4","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0247","0.0212","","","0.049","0.0509","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208264","6.9625","0.0002","7.1714","0.0003","8.016","0.0003","82.112","0.002","73.835","0.002","71.272","0.002","363.56","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-bromosalicylic acid beta","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C14 H10 Br2 O6 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0298","0.025","","","0.0532","0.0584","","","","","","1.192","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208265","38.4671","0.0015","4.5765","0.0002","19.93","0.0007","90","","118.789","0.002","90","","3074.9","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-iodosalicylic_acid","5-iodo-2-hydroxobenzoic acid","","- C7 H5 I O3 -","- C7 H5 I O3 -","- C112 H80 I16 O48 -","16","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0493","0.034","","","0.0695","0.0812","","","","","","1.08","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208266","4.8289","0.0001","12.1776","0.0003","14.6529","0.0004","109.752","0.001","97.974","0.002","100.626","0.002","778","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 I O3 -","- C7 H5 I O3 -","- C28 H20 I4 O12 -","4","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0308","0.0259","","","0.0578","0.0602","","","","","","1.109","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208267","3.9784","0.0001","16.1049","0.0004","11.5198","0.0003","90","","90.261","0.002","90","","738.09","0.03","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-methoxysalicylic acid","5-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0405","0.0375","","","0.0985","0.1017","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208268","7.281","0.0003","5.0146","0.0002","20.2789","0.0007","90","","95.498","0.002","90","","737","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","5-methyl-2-hydroxobenzoic acid","5-methyl-2-hydroxobenzoic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0672","0.0534","","","0.1203","0.1307","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208269","5.1246","0.0005","8.7762","0.0008","9.2674","0.0009","62.252","0.006","75.292","0.006","82.654","0.007","356.76","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-nitrosalicylic acid monohydrate","5-nitro-2-hydroxobenzoic acid monohydrate","","- C7 H5 N O5 -","- C7 H5 N O5 -","- C14 H10 N2 O10 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0734","0.0474","","","0.1115","0.1278","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208270","23.3708","0.001","3.7089","0.0001","16.5722","0.0007","90","","104.853","0.002","90","","1388.48","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-chlorosalicylic acid","5-chloro-2-hydroxobenzoic acid","","- C7 H5 Cl O3 -","- C7 H5 Cl O3 -","- C56 H40 Cl8 O24 -","8","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0829","0.0489","","","0.1034","0.1206","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208271","3.7289","0.0001","8.243","0.0004","13.0565","0.0007","80.768","0.002","87.719","0.003","83.755","0.003","393.67","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-chloro-2-hydroxobenzoic acid monohydrate","5-chloro-2-hydroxobenzoic acid monohydrate","","- C7 H7 Cl O4 -","- C7 H7 Cl O4 -","- C14 H14 Cl2 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0342","0.0304","","","0.075","0.0776","","","","","","1.076","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208272","5.3146","0.0002","5.2118","0.0002","22.5378","0.001","90","","91.907","0.003","90","","623.92","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-fluorosalicylic acid","6-fluoro-2-hydroxobenzoic acid","","- C7 H5 F O3 -","- C7 H5 F O3 -","- C28 H20 F4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0581","0.0484","","","0.1213","0.1276","","","","","","1.087","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208273","6.6697","0.0002","9.3476","0.0004","12.2016","0.0005","90","","104.305","0.002","90","","737.13","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6-methoxysalicylic acid","6-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0599","0.0514","","","0.1418","0.1491","","","","","","1.132","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208274","4.8894","0.0003","11.2411","0.0013","11.3347","0.0013","90","","91.919","0.007","90","","622.63","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","salicylic acid","2-hydroxobenzoic acid","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1041","0.0656","","","0.108","0.1251","","","","","","1.105","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208275","6.1364","0.0011","9.5989","0.0017","11.437","0.002","70.149","0.002","86.359","0.003","82.98","0.003","628.72","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H8 F8 I4 -","- C22 H8 F8 I4 -","- C22 H8 F8 I4 -","1","0.5","","Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun","Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C–I⋯π halogen bonding and other assisting weak interactions","CrystEngComm","2012","14","15","5027","","10.1039/c2ce25338k","","","0.71073","MoKα","","0.0444","0.038","","","0.0925","0.0981","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208276","6.1901","0.0016","9.381","0.003","12.462","0.003","104.29","0.004","90.952","0.004","97.561","0.004","694.3","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","1","0.5","","Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun","Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C‒I⋯π halogen bonding and other assisting weak interactions","CrystEngComm","2012","14","15","5027","","10.1039/c2ce25338k","","","0.71073","MoKα","","0.0456","0.0364","","","0.0872","0.0934","","","","","","1.058","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208277","6.1559","0.0005","12.1831","0.0011","18.1485","0.0015","90","","99.044","0.001","90","","1344.2","0.2","297","2","297","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24 H10 F8 I4 -","- C24 H10 F8 I4 -","- C48 H20 F16 I8 -","2","0.5","","Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun","Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C–I⋯π halogen bonding and other assisting weak interactions","CrystEngComm","2012","14","15","5027","","10.1039/c2ce25338k","","","0.71073","MoKα","","0.0524","0.0404","","","0.093","0.1","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208278","12.935","0.005","14.708","0.005","15.359","0.005","90","","90","","90","","2922","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N4 O12 Zn2 -","- C21 H21 N4 O12 Zn2 -","- C84 H84 N16 O48 Zn8 -","4","1","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0468","0.0383","","","0.0995","0.1063","","","","","","0.931","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208279","20.573","0.005","20.573","0.005","20.573","0.005","90","","90","","90","","8707","4","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C108 H135 N13 O57 Zn11 -","- C108 H36 O94 Zn22 -","- C108 H36 O94 Zn22 -","1","0.0208333","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.1762","0.1016","","","0.2972","0.3583","","","","","","1.091","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208280","20.6155","0.0007","20.6155","0.0007","20.6155","0.0007","90","","90","","90","","8761.6","0.5","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C110 H138 N12 O56 Zn11 -","- C108 H36 O94 Zn22 -","- C108 H36 O94 Zn22 -","1","0.0208333","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71073","MoKα","","0.1019","0.0764","","","0.2512","0.2702","","","","","","1.077","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208281","9.32","0.005","16.107","0.005","12.608","0.005","90","","100.942","0.005","90","","1858.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O7 Zn -","- C15 H11 N2 O7 Zn -","- C60 H44 N8 O28 Zn4 -","4","1","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0874","0.0486","","","0.1101","0.1269","","","","","","0.973","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208282","43.648","0.005","43.648","0.005","17.371","0.005","90","","90","","120","","28661","9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49 H69 N7 O22 Zn3 -","- C27 H9 O18 Zn3 -","- C486 H162 O324 Zn54 -","18","0.5","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0933","0.0604","","","0.1923","0.2218","","","","","","1.064","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208283","23.461","0.005","23.461","0.005","23.461","0.005","90","","90","","90","","12913","5","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C118 H189 N17 O53 Zn9 -","- C54 H18 N2 O41 Zn9 -","- C216 H72 N8 O164 Zn36 -","4","0.166667","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0551","0.0398","","","0.0785","0.0817","","","","","","0.945","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208284","17.441","0.005","35.188","0.005","17.398","0.005","90","","90","","90","","10677","5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C85 H107 N7 O42 Zn9 -","- C55 H39 N2 O38.3 Zn9 -","- C220 H156 N8 O153.2 Zn36 -","4","0.5","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.082","0.0541","","","0.1557","0.1672","","","","","","0.951","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208285","11.235","0.002","18.637","0.003","18.65","0.003","109.493","0.003","104.117","0.002","92.378","0.002","3537.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 Hg3 I6 N8 -","- C66 H80 Hg3 I6 N8 -","- C132 H160 Hg6 I12 N16 -","2","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0504","0.0421","","","0.1388","0.1761","","","","","","1.062","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7208286","15.963","0.0011","15.487","0.001","34.67","0.002","90","","99.601","0.001","90","","8451","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38.5 Br4 Hg2 N7.5 -","- C40 H38.5 Br4 Hg2 N7.5 -","- C320 H308 Br32 Hg16 N60 -","8","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0535","0.0361","","","0.0836","0.091","","","","","","1.024","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208287","9.7774","0.0006","11.1171","0.0007","15.9735","0.001","102.341","0.001","91.038","0.001","108.911","0.001","1597.4","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Ag2 Cl2 N4 O2 -","- C34 H34 Ag2 Cl2 N4 O2 -","- C68 H68 Ag4 Cl4 N8 O4 -","2","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0428","0.0371","","","0.0908","0.0953","","","","","","1.032","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208288","18.8237","0.001","20.2191","0.001","12.437","0.0006","90","","103.507","0.001","90","","4602.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl4 N6 O3 Pd2 -","- C42 H50 Cl4 N6 O3 Pd2 -","- C168 H200 Cl16 N24 O12 Pd8 -","4","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0419","0.0312","","","0.0953","0.1035","","","","","","1.048","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208289","11.3332","0.0005","13.3581","0.0006","13.9474","0.0007","67.478","0.001","76.863","0.001","71.084","0.001","1832.23","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 Ag2 Cl2 N4 O2 -","- C38 H42 Ag2 Cl2 N4 O2 -","- C76 H84 Ag4 Cl4 N8 O4 -","2","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0829","0.0674","","","0.1993","0.2152","","","","","","1.069","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208290","10.8829","0.0011","19.1733","0.0018","17.7442","0.0016","90","","103.147","0.002","90","","3605.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Ag2 Cl2 N4 O2 -","- C37 H40 Ag2 Cl2 N4 O2 -","- C148 H160 Ag8 Cl8 N16 O8 -","4","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0564","0.0357","","","0.0818","0.0945","","","","","","1.013","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208291","10.9386","0.0005","21.6466","0.0011","16.7369","0.0007","90","","105.344","0.001","90","","3821.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H44 Ag2 Cl2 N4 O2 -","- C39 H44 Ag2 Cl2 N4 O2 -","- C156 H176 Ag8 Cl8 N16 O8 -","4","0.5","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0735","0.067","","","0.2216","0.2289","","","","","","1.042","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208292","10.411","0.005","15.209","0.0018","14.1301","0.0016","90","","109.71","0.03","90","","2106.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 Mn2 N10 Nb O6 -","- C12 H4 Mn2 N10 Nb O6 -","- C48 H16 Mn8 N40 Nb4 O24 -","4","1","","Pinkowicz, Dawid; Kurpiewska, Katarzyna; Lewiński, Krzysztof; Bałanda, Maria; Mihalik, Marian; Zentková, Maria; Sieklucka, Barbara","High-pressure single-crystal XRD and magnetic study of a octacyanoniobate-based magnetic sponge","CrystEngComm","2012","14","16","5224","","10.1039/c2ce25387a","","","0.71073","MoKα","","0.0864","0.07","","","0.1748","0.1926","","","","","","0.882","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208293","7.9395","0.0007","15.2318","0.0008","17.7558","0.0013","90","","93.632","0.006","90","","2142.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Cd N4 S2 -","- C12 H10 Cd N4 S2 -","- C72 H60 Cd6 N24 S12 -","6","0.75","","Wöhlert, Susanne; Boeckmann, Jan; Jess, Inke; Näther, Christian","Synthesis of new stable and metastable thiocyanato coordination polymers by thermal decomposition and by solution reactions","CrystEngComm","2012","14","17","5412","","10.1039/c2ce25389e","","","0.71073","MoKα","","0.0657","0.0466","","","0.0892","0.0959","","","","","","1.128","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208294","8.7915","0.0009","8.7921","0.0007","16.1275","0.0018","92.773","0.006","95.879","0.006","114.341","0.007","1124.1","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","catena-Poly(bis(thiocyanato-kN)bis(pyridine-kN)cadmium(ii))","catena-Poly[bis(thiocyanato-kN)bis(pyridine-kN)cadmium(II)]","","- C12 H10 Cd N4 S2 -","- C12 Cd N4 S2 -","- C36 Cd3 N12 S6 -","3","1.5","","Wöhlert, Susanne; Boeckmann, Jan; Jess, Inke; Näther, Christian","Synthesis of new stable and metastable thiocyanato coordination polymers by thermal decomposition and by solution reactions","CrystEngComm","2012","14","17","5412","","10.1039/c2ce25389e","powder diffraction","","1.54056","CuKα","","","","","","","","","2.7794","","","","","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208295","5.9496","0.0003","12.2417","0.0008","13.8473","0.0007","90","","102.234","0.004","90","","985.64","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cd N3 S2 -","- C7 H5 Cd N3 S2 -","- C28 H20 Cd4 N12 S8 -","4","1","","Wöhlert, Susanne; Boeckmann, Jan; Jess, Inke; Näther, Christian","Synthesis of new stable and metastable thiocyanato coordination polymers by thermal decomposition and by solution reactions","CrystEngComm","2012","14","17","5412","","10.1039/c2ce25389e","","","0.71073","MoKα","","0.0249","0.0218","","","0.0454","0.0465","","","","","","1.147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208296","17.232","0.002","17.232","0.002","16.444","0.003","90","","90","","90","","4882.9","1.2","173","2","173","2","","","","","","","","5","I 4","I 4","79","","","","- C72 H84 Cd3 I6 N36 -","- C72 H80 Cd3 I6 N36 -","- C144 H160 Cd6 I12 N72 -","2","0.25","","Li, Huijun; Wang, Xia; Jia, Yanyuan; Zhao, Bei; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Crystal to crystal transformation induced a novel Cu(ii)-MOF with zigzag ⋯I3−⋯I3−⋯ chains","CrystEngComm","2012","14","16","5155","","10.1039/c2ce25393c","","","0.71073","MoKα","","0.0894","0.084","","","0.22","0.2267","","","","","","1.05","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208297","12.365","0.004","17.032","0.005","24.275","0.008","89.682","0.007","89.479","0.005","88.829","0.007","5111","3","386","2","383","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H96 Cu4 I6 N42 O24 -","- C72 H89 Cu4 I6 N42 O24 -","- C144 H178 Cu8 I12 N84 O48 -","2","1","","Li, Huijun; Wang, Xia; Jia, Yanyuan; Zhao, Bei; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Crystal to crystal transformation induced a novel Cu(ii)-MOF with zigzag ⋯I3−⋯I3−⋯ chains","CrystEngComm","2012","14","16","5155","","10.1039/c2ce25393c","","","0.71073","MoKα","","0.0563","0.043","","","0.0936","0.1003","","","","","","0.986","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208298","29.688","0.004","15.4772","0.0018","25.663","0.003","90","","119.778","0.001","90","","10235","2","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H101 Mo8 N16 Ni O50 P V6 -","- C68 H96 Mo8 N16 Ni O50 P V6 -","- C272 H384 Mo32 N64 Ni4 O200 P4 V24 -","4","0.5","","Fu, Jie; Sun, Haixia; Xu, Yan; Wang, Congling; Zhu, Dunru; Sun, Qi; Liu, Hongke","[Ni(C17H20N4)4][H5PMoVI8VIV4O40(VIVO)2]·8H2O: confinement of heteropoly anions in Ni-containing rigid concave surfaces with high catalytic activity in the oxidation of styrene","CrystEngComm","2012","14","16","5148","","10.1039/c2ce25419k","","","0.71073","MoKα","","0.0767","0.0474","","","0.1235","0.1346","","","","","","1.084","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208299","23.681","0.002","9.6928","0.0007","35.389","0.003","90","","92.789","0.001","90","","8113.4","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H43 Cd N2 O10.5 -","- C38 H41 Cd N2 O10.5 -","- C304 H328 Cd8 N16 O84 -","8","1","","Ma, Chunhua; Wu, Yong; Zhang, Jun; Xu, Yan; Tu, Beibei; Zhou, Yaoming; Fang, Min; Liu, Hong-Ke","A 6-fold interpenetrated ThSi2 topological metal‒organic framework from a nanosized tripodal aromatic acid","CrystEngComm","2012","14","16","5166","","10.1039/c2ce25422k","","","0.71073","MoKα","","0.1083","0.0715","","","0.1895","0.2026","","","","","","1.238","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208300","12.606","0.003","12.606","0.003","19.668","0.004","90","0.015","90","0.018","120","0.019","2706.7","1.2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H42 N6 Na8 Ni2 O33 -","- C30 H12 N6 Na7.98 Ni2 O33.02 -","- C60 H24 N12 Na15.96 Ni4 O66.04 -","2","0.166667","","Dul, Marie-Claire; Lescouëzec, Rodrigue; Chamoreau, Lise-Marie; Journaux, Yves; Carrasco, Rosa; Castellano, María; Ruiz-García, Rafael; Cano, Joan; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly, metal binding ability, and magnetic properties of dinickel(ii) and dicobalt(ii) triple mesocates","CrystEngComm","2012","14","17","5639","","10.1039/c2ce25434d","","x-ray","0.71073","MoKα","","0.1043","0.0767","","","0.1925","0.214","","","","","","1.126","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208301","12.625","0.002","12.625","0.002","19.867","0.002","90","","90","","120","","2742.4","0.7","250","2","250","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H46 Co2 N6 Na8 O35 -","- C30 H12 Co2 N6 Na7.98 O35.03 -","- C60 H24 Co4 N12 Na15.96 O70.06 -","2","0.166667","","Dul, Marie-Claire; Lescouëzec, Rodrigue; Chamoreau, Lise-Marie; Journaux, Yves; Carrasco, Rosa; Castellano, María; Ruiz-García, Rafael; Cano, Joan; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly, metal binding ability, and magnetic properties of dinickel(ii) and dicobalt(ii) triple mesocates","CrystEngComm","2012","14","17","5639","","10.1039/c2ce25434d","","","0.71073","MoKα","","0.1107","0.0809","","","0.239","0.2621","","","","","","1.134","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208302","19.3555","0.001","21.7874","0.0011","16.0415","0.0008","90","","92.452","0.001","90","","6758.6","0.6","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B72 H181 Na32 Ni4 O314 V48 -","- B72 Na32 Ni4 O314 V48 -","- B72 Na32 Ni4 O314 V48 -","1","0.125","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.0612","0.0587","","","0.1687","0.1708","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208303","19.442","0.005","21.81","0.005","16.07","0.005","90","0.005","92.496","0.005","90","0.005","6808","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C4 H99 B36 N4 Na10 Ni2 O152 V24 -","- C4 B36 N4 Na10 Ni2 O152 V24 -","- C8 B72 N8 Na20 Ni4 O304 V48 -","2","0.25","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.0975","0.0717","","","0.2114","0.2406","","","","","","1.09","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208304","19.348","0.004","21.786","0.004","16.051","0.003","90","","91.82","0.03","90","","6762","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B36 H61 Na18 O144 V24 Zn -","- B36 Na18 O144 V24 Zn -","- B72 Na36 O288 V48 Zn2 -","2","0.25","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.1333","0.0725","","","0.2139","0.2695","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208305","23.605","0.005","13.445","0.005","24.054","0.005","90","0.005","99.623","0.005","90","0.005","7527","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H79 B18 N16 O63 V12 Zn3 -","- C16 H64 B18 N16 O63 V12 Zn3 -","- C64 H256 B72 N64 O252 V48 Zn12 -","4","0.5","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.1337","0.0593","","","0.149","0.1696","","","","","","1.065","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208306","13.8436","0.0005","6.4099","0.0002","20.5475","0.0008","90","","125.007","0.002","90","","1493.44","0.1","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- B K5 O34 P4 Ta8 -","- B K5 O34 P4 Ta8 -","- B2 K10 O68 P8 Ta16 -","2","0.5","","Babaryk, Artem A.; Odynets, Ievgen V.; Slobodyanik, Nikolay S.; Baumer, Vyacheslav N.; Khainakov, Sergei","Structure-driven mixed-site borate‒phosphate K5Ta8BP4O34: synthesis, structural, spectroscopic and theoretical study","CrystEngComm","2012","14","15","5071","","10.1039/c2ce25451d","","","0.71073","MoKα","","0.0413","0.0282","","","0.0626","0.0666","","","","","","1.079","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208307","7.143","0.003","14.458","0.006","29.544","0.013","90","","90","","90","","3051","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl2 N6 O3 Zn -","- C32 H28 Cl2 N6 O3 Zn -","- C128 H112 Cl8 N24 O12 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0825","0.0517","","","0.1056","0.1174","","","","","","1.006","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208308","24.274","0.004","16.062","0.003","8.8413","0.0016","90","","90","","90","","3447.1","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33.5 H30.5 Br2 N6 O2.75 Zn -","- C33.5 H30.5 Br2 N6 O2.75 Zn -","- C134 H122 Br8 N24 O11 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0656","0.0398","","","0.0923","0.1023","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208309","24.058","0.009","15.927","0.007","8.73","0.004","90","","90","","90","","3345","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H27.6 Br2 N6 O2.8 Zn -","- C32 H27.6 Br2 N6 O2.8 Zn -","- C128 H110.4 Br8 N24 O11.2 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.1371","0.0616","","","0.136","0.1607","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208310","25.815","0.002","8.8838","0.0008","28.137","0.003","90","","90","","90","","6452.8","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 I2 N6 O2 Zn -","- C32 H26 I2 N6 O2 Zn -","- C256 H208 I16 N48 O16 Zn8 -","8","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.1025","0.0449","","","0.0845","0.1046","","","","","","0.992","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208311","11.713","0.003","20.677","0.006","15.911","0.003","90","","125.323","0.014","90","","3144.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl2 Hg N6 O2 -","- C32 H26 Cl2 Hg N6 O2 -","- C128 H104 Cl8 Hg4 N24 O8 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.046","0.0309","","","0.0756","0.083","","","","","","1.037","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208312","11.86","0.003","20.465","0.005","15.636","0.003","90","","124.868","0.012","90","","3113.8","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br2 Hg N6 O2 -","- C32 H26 Br2 Hg N6 O2 -","- C128 H104 Br8 Hg4 N24 O8 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0505","0.0297","","","0.0573","0.0639","","","","","","1.018","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208313","7.6281","0.0008","28.162","0.003","9.1674","0.0009","90","","113.643","0.001","90","","1804.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Hg I2 N3 O -","- C16 H13 Hg I2 N3 O -","- C64 H52 Hg4 I8 N12 O4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0354","0.0309","","","0.0715","0.0735","","","","","","1.069","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208314","11.3563","0.0011","13.2471","0.0015","14.6072","0.0017","96.239","0.001","101.522","0.002","91.305","0.001","2138.2","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cd F N2 O6 -","- C21 H21 Cd F N2 O6 -","- C84 H84 Cd4 F4 N8 O24 -","4","2","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0489","0.0298","","","0.0598","0.0702","","","","","","1.031","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208315","18.3303","0.0018","10.4149","0.0011","20.581","0.002","90","","97.284","0.001","90","","3897.4","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cu2 F2 N4 O9 -","- C42 H36 Cu2 F2 N4 O9 -","- C168 H144 Cu8 F8 N16 O36 -","4","0.5","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0639","0.0391","","","0.0735","0.0788","","","","","","1.037","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208316","11.6891","0.0008","14.1824","0.0013","12.0379","0.0008","90","","92.574","0.006","90","","1993.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 Cu2 F2 N4 O10 -","- C42 H38 Cu2 F2 N4 O10 -","- C84 H76 Cu4 F4 N8 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.1007","0.076","","","0.1962","0.2188","","","","","","1.046","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208317","11.6305","0.0017","14.158","0.002","12.0363","0.0017","90","","94.73","0.003","90","","1975.2","0.5","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 F2 N4 Ni2 O10 -","- C42 H38 F2 N4 Ni2 O10 -","- C84 H76 F4 N8 Ni4 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0527","0.0433","","","0.1072","0.1128","","","","","","1.038","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208318","11.553","0.0017","14.24","0.002","12.0157","0.0018","90","","95.639","0.003","90","","1967.2","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 Co2 F2 N4 O10 -","- C42 H38 Co2 F2 N4 O10 -","- C84 H76 Co4 F4 N8 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0829","0.0595","","","0.1036","0.115","","","","","","1.012","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208319","9.5127","0.0019","46.843","0.009","11.521","0.002","90","","113.441","0.003","90","","4710.1","1.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N6 -","- C31 H22 N6 -","- C248 H176 N48 -","8","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.2022","0.0623","","","0.1377","0.2197","","","","","","0.915","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208320","14.682","0.005","26.74","0.005","17.568","0.005","90","0.005","112.864","0.005","90","0.005","6355","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 I2 N6 Zn -","- C31 H22 I2 N6 Zn -","- C248 H176 I16 N48 Zn8 -","8","1","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71069","MoKα","","0.1475","0.0735","","","0.1942","0.2193","","","","","","1.02","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208321","16.459","0.0014","26.123","0.002","17.6798","0.0015","90","","115.536","0.001","90","","6859","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Cl3 N8 S2 Zn -","- C34 H23 Cl3 N8 S2 Zn -","- C272 H184 Cl24 N64 S16 Zn8 -","8","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.221","0.1086","","","0.3013","0.3857","","","","","","1.127","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208322","18.938","0.005","10.356","0.005","29.755","0.005","90","0.005","101.461","0.005","90","0.005","5719","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H48 Cd Cl2 N12 O9 -","- C63 H48 Cd Cl2 N12 O9 -","- C252 H192 Cd4 Cl8 N48 O36 -","4","1","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71069","MoKα","","0.0606","0.0467","","","0.1235","0.1415","","","","","","1.083","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208323","15.643","0.005","51.938","0.005","16.613","0.005","90","0.005","115.008","0.005","90","0.005","12232","6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H22.5 Br2 Cd Cl1.5 N6 -","- C31.5 H22.5 Br2 Cd Cl1.5 N6 -","- C504 H360 Br32 Cd16 Cl24 N96 -","16","4","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71069","MoKα","","0.1906","0.088","","","0.2143","0.2479","","","","","","1.248","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7208324","18.095","0.005","18.724","0.005","20.836","0.005","109.899","0.005","102.332","0.005","107.921","0.005","5903","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H51 Cl2 N12 O11.5 Zn -","- C62 H44 Cl2 N12 O11.5 Zn -","- C248 H176 Cl8 N48 O46 Zn4 -","4","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.1392","0.0821","","","0.2185","0.248","","","","","","1.458","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7208325","16.3236","0.0003","26.861","0.0005","15.7429","0.0003","90","","115.566","0.001","90","","6226.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H23 Cd Cl I2 N6 -","- C31.5 H23 Cd Cl I2 N6 -","- C252 H184 Cd8 Cl8 I16 N48 -","8","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.081","0.0481","","","0.1408","0.1638","","","","","","1.032","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208326","16.0369","0.0006","24.0453","0.0009","25.0434","0.0009","90","","90.651","0.002","90","","9656.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tetrakis(N-methylimidazole)copper(II) bistriflimide","tetrakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C32 H48 Cu F12 N10 O8 S4 -","- C32 H48 Cu F12 N10 O8 S4 -","- C256 H384 Cu8 F96 N80 O64 S32 -","8","2","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.0764","0.0577","","","0.1278","0.1365","","","","","","1.052","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208327","8.991","0.002","9.438","0.003","14.654","0.003","89.594","0.015","72.209","0.013","62.905","0.013","1041.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tetrakis(N-methylimidazole)copper(II) bistriflimide","tetrakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C24 H32 Cu F12 N10 O8 S4 -","- C24 H32 Cu F12 N10 O8 S4 -","- C24 H32 Cu F12 N10 O8 S4 -","1","0.5","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.102","0.0823","","","0.1745","0.1841","","","","","","0.99","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208328","9.1104","0.0005","9.6323","0.0005","10.659","0.0007","68.139","0.004","85.255","0.005","87.828","0.004","865.11","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tetrakis(N-methylimidazole)copper(II) bistriflimide","tetrakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C20 H24 Cu F12 N10 O8 S4 -","- C20 H24 Cu F12 N10 O8 S4 -","- C20 H24 Cu F12 N10 O8 S4 -","1","0.5","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.0659","0.057","","","0.1458","0.152","","","","","","1.055","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208329","8.2207","0.0002","20.3211","0.0004","27.0612","0.0005","90","","92.363","0.002","90","","4516.83","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","hexakis(N-methylimidazole)cobalt(II) bistriflimide","hexakis(N-methylimidazole)cobalt(II) bis(trifluoromethyl)sulfonylimide","","- C28 H36 Co F12 N14 O8 S4 -","- C28 H36 Co F12 N14 O8 S4 -","- C112 H144 Co4 F48 N56 O32 S16 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","0.71073","MoKα","","0.0415","0.0302","","","0.0771","0.0793","","","","","","1.066","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208330","8.2018","0.0002","20.3183","0.0005","26.938","0.0008","90","","92.341","0.003","90","","4485.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","hexakis(N-methylimidazole)nickel(II) bistriflimide","hexakis(N-methylimidazole)nickel(II) bis(trifluoromethyl)sulfonylimide","","- C28 H36 F12 N14 Ni O8 S4 -","- C28 H36 F12 N14 Ni O8 S4 -","- C112 H144 F48 N56 Ni4 O32 S16 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","0.71073","MoKα","","0.0593","0.0466","","","0.1187","0.1225","","","","","","1.037","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208331","8.2933","0.0003","11.1971","0.0003","24.1682","0.0007","91.145","0.001","93.419","0.001","92.945","0.002","2236.73","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","hexakis(N-methylimidazole)copper(II) bistriflimide","hexakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C28 H36 Cu F12 N14 O8 S4 -","- C28 H36 Cu F12 N14 O8 S4 -","- C56 H72 Cu2 F24 N28 O16 S8 -","2","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.0403","0.0368","","","0.0946","0.0972","","","","","","1.059","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208332","14.07","0.004","15.3","0.004","27.431","0.008","90","","90","","90","","5905","3","123","","123","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C1.5 H6 As5 N S8 -","- C1.5 H6 As5 N S8 -","- C24 H96 As80 N16 S128 -","16","0.5","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","pH-induced solvothermal synthesis and characterization of two novel thioarsenate compounds: Three-dimensional (1,2-pdaH2)0.5As5S8 containing ψ-As(iii)S4 and two-dimensional (NH4)2As8S13","CrystEngComm","2012","14","15","4959","","10.1039/c2ce25475a","","","0.71073","MoKα","","0.0227","0.0205","","","0.0491","0.0497","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208333","17.299","0.009","11.951","0.007","23.254","0.013","90","","90","","90","","4808","5","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- As8 H8 N2 S13 -","- As8 H8 N2 S13 -","- As64 H64 N16 S104 -","8","1","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","pH-induced solvothermal synthesis and characterization of two novel thioarsenate compounds: Three-dimensional (1,2-pdaH2)0.5As5S8 containing ψ-As(iii)S4 and two-dimensional (NH4)2As8S13","CrystEngComm","2012","14","15","4959","","10.1039/c2ce25475a","","","0.71073","MoKα","","0.0615","0.0533","","","0.1398","0.1475","","","","","","1.021","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208334","9.4829","0.0007","17.0177","0.0013","14.5741","0.0011","90","","101.881","0.001","90","","2301.5","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0425","0.036","","","0.094","0.0991","","","","","","1.044","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208335","9.39","0.0007","17.1409","0.0014","14.6595","0.0012","90","","102.038","0.002","90","","2307.6","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0548","0.0421","","","0.1043","0.1126","","","","","","1.013","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208336","9.3901","0.0001","17.1534","0.0001","14.8607","0.0002","90","","102.328","0.001","90","","2338.45","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 O2 P2 S2 -","- C58 H46 O2 P2 S2 -","- C116 H92 O4 P4 S4 -","2","0.5","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","1.5418","CuKα","","0.0468","0.0395","","","0.0981","0.1022","","","","","","1.024","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208337","11.9199","0.0002","14.3119","0.0004","13.7279","0.0004","90","","102.026","0.002","90","","2290.53","0.1","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 O2 P2 S2 -","- C58 H46 O2 P2 S2 -","- C116 H92 O4 P4 S4 -","2","0.5","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0629","0.0462","","","0.0991","0.1077","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208338","9.517","","17.083","","14.581","","90","","101.96","","90","","2319.1","","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1106","0.0454","","","0.0831","0.0946","","","","","","0.857","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208339","9.3791","0.0002","17.2497","0.0003","14.7021","0.0004","90","","102.069","0.002","90","","2326.03","0.09","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1263","0.0534","","","0.1124","0.1262","","","","","","0.866","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208340","9.37","0.0002","17.2807","0.0003","14.7363","0.0003","90","","102.134","0.002","90","","2332.8","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.123","0.0469","","","0.0949","0.1065","","","","","","0.84","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208341","9.3726","0.0002","17.2873","0.0003","14.7499","0.0003","90","","102.167","0.002","90","","2336.2","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1268","0.0472","","","0.0948","0.1073","","","","","","0.844","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208342","9.3734","0.0002","17.2887","0.0003","14.7596","0.0003","90","","102.19","0.002","90","","2337.92","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1276","0.048","","","0.0994","0.1124","","","","","","0.849","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208343","9.3741","0.0002","17.2885","0.0003","14.7653","0.0003","90","","102.202","0.002","90","","2338.87","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1293","0.049","","","0.0992","0.1133","","","","","","0.853","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208344","9.3749","0.0002","17.2881","0.0003","14.7691","0.0003","90","","102.22","0.002","90","","2339.45","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1308","0.0487","","","0.0954","0.1091","","","","","","0.833","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208345","9.3761","0.0002","17.2872","0.0002","14.7712","0.0003","90","","102.226","0.002","90","","2339.91","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1064","0.0518","","","0.1319","0.1439","","","","","","1.002","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208346","9.3781","0.0002","17.2875","0.0002","14.7775","0.0003","90","","102.232","0.002","90","","2341.4","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1301","0.0496","","","0.0996","0.1131","","","","","","0.852","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208347","9.4946","0.0002","17.0479","0.0004","14.5784","0.0004","90","","101.951","0.002","90","","2308.56","0.1","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0856","0.0508","","","0.099","0.1122","","","","","","1.012","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208348","9.4645","0.0002","17.0968","0.0004","14.5914","0.0004","90","","102.008","0.003","90","","2309.41","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.074","0.0464","","","0.0895","0.1012","","","","","","1.023","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208349","9.4512","0.0002","17.1319","0.0004","14.6123","0.0005","90","","102.013","0.003","90","","2314.17","0.11","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29.001 H23 O P S -","- C116.004 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0865","0.0506","","","0.0929","0.1076","","","","","","1.021","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208350","9.407","0.005","17.207","0.005","14.659","0.005","90","0.005","102.087","0.005","90","0.005","2320.2","1.6","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1331","0.0669","","","0.1265","0.1559","","","","","","1.063","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208351","9.3704","0.0014","17.241","0.003","14.693","0.002","90","","102.056","0.002","90","","2321.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.6889","synchrotron","","0.0948","0.0646","","","0.1536","0.1865","","","","","","1.098","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208352","9.3801","0.0002","17.258","0.0002","14.737","0.0003","90","","102.273","0.002","90","","2331.13","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1299","0.0496","","","0.103","0.1176","","","","","","0.835","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208353","9.406","0.005","17.312","0.005","14.818","0.005","90","0.005","102.305","0.005","90","0.005","2357.5","1.6","221","2","221","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1213","0.0558","","","0.1123","0.1293","","","","","","1.023","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208354","9.4598","0.001","16.9974","0.0014","14.5643","0.0013","90","","101.853","0.009","90","","2291.9","0.4","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0465","0.0379","","","0.0826","0.0887","","","","","","1.046","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208355","9.4904","0.0003","17.0028","0.0005","14.5622","0.0004","90","","101.951","0.003","90","","2298.87","0.12","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0461","0.0377","","","0.0836","0.089","","","","","","1.026","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208356","9.3365","0.0005","17.1396","0.0006","14.7354","0.0013","90","","102.311","0.008","90","","2303.8","0.3","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.085","0.0639","","","0.1349","0.1485","","","","","","1.11","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208357","9.3733","0.0003","17.2097","0.0005","14.8077","0.0005","90","","102.379","0.003","90","","2333.12","0.13","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0857","0.064","","","0.1338","0.1463","","","","","","1.063","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208358","9.3833","0.0003","17.1058","0.0004","14.6168","0.0003","90","","102.04","0.003","90","","2294.52","0.11","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0836","0.06","","","0.1346","0.1517","","","","","","1.034","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208359","14.3036","0.0007","21.7219","0.001","25.5475","0.0011","90","","90","","90","","7937.6","0.6","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H31.7 F N5.25 Ni O6 S4 -","- C34.5 H30.875 F N5.25 Ni O6 S4 -","- C276 H247 F8 N42 Ni8 O48 S32 -","8","2","","Takahashi, Kiyonori; Hoshino, Norihisa; Kubo, Kazuya; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Cation‒anion packing and molecular motion in (m-fluoroanilinium)(dibenzo[18]crown-6)[Ni(mnt)2]−(CH3CN)0.25 crystals","CrystEngComm","2012","14","16","5235","","10.1039/c2ce25493j","","","0.71075","MoKα","","","0.0423","","","","0.0727","","","","","","0.935","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208360","12.5467","0.0006","19.1791","0.001","5.7446","0.0002","90","","97.251","0.003","90","","1371.29","0.11","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F3 I N2 O2 S -","- C12 H8 F3 I N2 O2 S -","- C48 H32 F12 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0399","0.0284","","","0.0663","0.0698","","","","","","0.997","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208361","12.7165","0.0008","19.5032","0.0014","5.6759","0.0003","90","","99.204","0.004","90","","1389.57","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 I2 N2 O2 S -","- C11 H8 I2 N2 O2 S -","- C44 H32 I8 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.1008","0.0469","","","0.0999","0.1133","","","","","","0.971","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208362","12.3761","0.0005","19.3231","0.0007","5.5652","0.0002","90","","98.824","0.001","90","","1315.14","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br I N2 O2 S -","- C11 H8 Br I N2 O2 S -","- C44 H32 Br4 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0406","0.033","","","0.0779","0.081","","","","","","0.998","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208363","12.191","0.0005","19.2471","0.0007","5.5793","0.0002","90","","98.441","0.001","90","","1294.95","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl I N2 O2 S -","- C11 H8 Cl I N2 O2 S -","- C44 H32 Cl4 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0335","0.027","","","0.0581","0.0601","","","","","","1.083","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208364","11.21","0.0003","18.4797","0.0004","6.0146","0.0002","90","","97.104","0.002","90","","1236.4","0.06","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F I N2 O2 S -","- C11 H8 F I N2 O2 S -","- C44 H32 F4 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0271","0.024","","","0.0522","0.0537","","","","","","0.892","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208365","12.365","0.004","19.488","0.003","5.6711","0.0018","90","","99.63","0.03","90","","1347.3","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8.81 Br0.73 F2.19 I0.27 N2 O2 S -","- C12 H8.81 Br0.73 F2.19 I0.27 N2 O2 S -","- C48 H35.24 Br2.92 F8.76 I1.08 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.1403","0.0824","","","0.1581","0.1797","","","","","","0.95","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208366","10.5231","0.0005","19.2374","0.0007","6.2008","0.0002","90","","94.353","0.001","90","","1251.65","0.09","248","2","248","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 I N2 O2 S -","- C11 H9 I N2 O2 S -","- C44 H36 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0934","0.0791","","","0.1831","0.193","","","","","","0.992","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208367","12.4694","0.0006","19.4348","0.0009","5.7709","0.0001","90","","99.01","0.003","90","","1381.27","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F6 N2 O2 S -","- C13 H8 F6 N2 O2 S -","- C52 H32 F24 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.064","0.049","","","0.1254","0.1344","","","","","","0.972","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208368","12.7889","0.0004","19.4009","0.0008","5.727","0.0002","90","","100.65","0.002","90","","1396.48","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11.96 H8 F2.88 I1.04 N2 O2 S -","- C11.96 H8 F2.88 I1.04 N2 O2 S -","- C47.84 H32 F11.52 I4.16 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0501","0.0337","","","0.0833","0.0898","","","","","","0.886","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208369","12.3877","0.0006","19.4324","0.0009","5.7076","0.0002","90","","100.458","0.002","90","","1351.13","0.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br F3 N2 O2 S -","- C12 H8 Br F3 N2 O2 S -","- C48 H32 Br4 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0527","0.0351","","","0.0872","0.0936","","","","","","0.941","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208370","12.1508","0.0007","19.4666","0.0011","5.6756","0.0002","90","","99.863","0.003","90","","1322.64","0.12","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl F3 N2 O2 S -","- C12 H8 Cl F3 N2 O2 S -","- C48 H32 Cl4 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0541","0.0434","","","0.1139","0.1202","","","","","","1.003","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208371","11.1914","0.0009","19.087","0.0015","5.9552","0.0003","90","","97.357","0.005","90","","1261.62","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F4 N2 O2 S -","- C12 H8 F4 N2 O2 S -","- C48 H32 F16 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0675","0.0506","","","0.1296","0.1381","","","","","","1.011","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208372","12.1514","0.0011","19.549","0.002","5.6316","0.0005","90","","99.286","0.006","90","","1320.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F3 N2 O2 S -","- C13 H11 F3 N2 O2 S -","- C52 H44 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.075","0.0488","","","0.117","0.1292","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208373","10.8792","0.0008","18.802","0.002","6.1463","0.0006","90","","95.248","0.007","90","","1252","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F3 N2 O2 S -","- C12 H9 F3 N2 O2 S -","- C48 H36 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.1013","0.0783","","","0.1639","0.1764","","","","","","0.916","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208374","27.9106","0.001","27.9106","0.001","9.8447","0.0007","90","","90","","90","","7669","0.7","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C352 H352 N32 O32 -","16","1","","Pang, Tao; Shang, Jie; Yang, Qin-Wan; Sun, Yu; Wu, An-Xin; Jiang, Hua","An unprecedented triple helix based on the tetrameric assembly of a macrocycle driven by weak C–H⋯π and C–H⋯O interactions","CrystEngComm","2012","14","16","5170","","10.1039/c2ce25549a","","","0.71073","MoKα","","0.1018","0.0938","","","0.2019","0.2055","","","","","","1.25","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208375","11.4965","0.0014","9.5446","0.0012","17.128","0.002","90","","95.203","0.002","90","","1871.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Pang, Tao; Shang, Jie; Yang, Qin-Wan; Sun, Yu; Wu, An-Xin; Jiang, Hua","An unprecedented triple helix based on the tetrameric assembly of a macrocycle driven by weak C–H⋯π and C–H⋯O interactions","CrystEngComm","2012","14","16","5170","","10.1039/c2ce25549a","","","0.71073","MoKα","","0.1099","0.0692","","","0.1543","0.1747","","","","","","0.975","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208376","7.83","0.002","10.912","0.003","12.498","0.004","106.544","0.003","96.596","0.003","99.562","0.003","994.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Co2 N O12 -","- C17 H15 Co2 N O12 -","- C34 H30 Co4 N2 O24 -","2","1","","Liu, Guang-Zhen; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Two topologically new trinodal cobalt(ii) metal‒organic frameworks characterized as a 1D metallic oxide and a 2D →3D penetrated porous solid","CrystEngComm","2012","14","16","5315","","10.1039/c2ce25556a","","","0.71073","MoKα","","0.0575","0.0477","","","0.1324","0.1396","","","","","","1.06","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208377","13.5752","0.0016","10.2329","0.0012","31.409","0.004","90","","98.156","0.001","90","","4319","0.9","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C78 H64 Co3 N10 O20 -","- C78 H64 Co3 N10 O20 -","- C156 H128 Co6 N20 O40 -","2","0.5","","Liu, Guang-Zhen; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Two topologically new trinodal cobalt(ii) metal‒organic frameworks characterized as a 1D metallic oxide and a 2D →3D penetrated porous solid","CrystEngComm","2012","14","16","5315","","10.1039/c2ce25556a","","","0.71073","MoKα","","0.067","0.044","","","0.1086","0.1171","","","","","","1","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208378","7.475","0.006","13.365","0.01","13.784","0.01","98.9","0.04","102.77","0.03","105.84","0.05","1257.6","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Cl N4 O9 -","- C24 H25 Cl N4 O9 -","- C48 H50 Cl2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Datta, Barun Kumar; Das, Gopal","Binding discrepancy of fluoride in quaternary ammonium and alkali salts by a tris(amide) receptor in solid and solution states","CrystEngComm","2012","14","16","5305","","10.1039/c2ce25592h","","","0.71073","MoKα","","0.1069","0.0518","","","0.1101","0.124","","","","","","0.81","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208379","7.6818","0.0006","13.3835","0.0011","13.8995","0.0012","99.08","0.01","103.12","0.05","106.33","0.03","1297.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Br N4 O9 -","- C24 H25 Br N4 O9 -","- C48 H50 Br2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Datta, Barun Kumar; Das, Gopal","Binding discrepancy of fluoride in quaternary ammonium and alkali salts by a tris(amide) receptor in solid and solution states","CrystEngComm","2012","14","16","5305","","10.1039/c2ce25592h","","","0.71073","MoKα","","0.0515","0.0344","","","0.0854","0.0928","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208380","15.2304","0.0007","8.9608","0.0004","20.056","0.001","90","","101.073","0.003","90","","2686.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N5 O12 -","- C24 H25 N5 O12 -","- C96 H100 N20 O48 -","4","1","","Dey, Sandeep Kumar; Datta, Barun Kumar; Das, Gopal","Binding discrepancy of fluoride in quaternary ammonium and alkali salts by a tris(amide) receptor in solid and solution states","CrystEngComm","2012","14","16","5305","","10.1039/c2ce25592h","","","0.71073","MoKα","","0.277","0.0611","","","0.0874","0.1162","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208381","11.03","0.002","12.045","0.002","20.673","0.004","81.84","0.03","81.39","0.03","74.74","0.03","2604.7","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 N4 O20 Zn3 -","- C54 H45 N4 O20 Zn3 -","- C108 H90 N8 O40 Zn6 -","2","1","","Tan, Yi; Chen, Hengjun; Zhang, Jie; Liao, Shijun; Dai, Jingcao; Fu, Zhiyong","Synthesis of a 3D photochromic coordination polymer with an interpenetrating arrangement: crystal engineering for electron transfer between donor and acceptor units","CrystEngComm","2012","14","16","5137","","10.1039/c2ce25618e","","","0.71073","MoKα","","0.1046","0.0603","","","0.1617","0.1981","","","","","","1.053","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208382","11.236","0.005","8.459","0.003","15.532","0.006","90","","90.586","0.001","90","","1476.2","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H19 Ca N O13.5 P3 -","- C3 H16 Ca N O13.5 P3 -","- C12 H64 Ca4 N4 O54 P12 -","4","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","0.6889","Synchrotron","","0.0739","0.0557","","","0.1354","0.1585","","","","","","1.101","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208383","6.943","0.005","7.581","0.006","9.662","0.006","92.734","0.005","106.176","0.01","112.524","0.014","444.3","0.6","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H10 Ca O9 P2 -","- C2 H6 Ca O9 P2 -","- C4 H12 Ca2 O18 P4 -","2","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","0.71075","MoKα","","0.0833","0.0707","","","0.2432","0.2858","","","","","","1.287","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208384","5.334","0.0002","14.225","0.0003","13.092","0.0004","90","","92.121","0.0014","90","","992.69","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 Ca N O8 P -","- C5 H10 Ca N O8 P -","- C20 H40 Ca4 N4 O32 P4 -","4","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","0.71073","MoKα","","0.0418","0.0337","","","0.1247","0.1313","","","","","","1.045","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208385","7.098","0.002","26.678","0.008","12.591","0.003","90","","91.191","0.015","90","","2383.7","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H30 Mg N2 O20 P2 -","- C10 H22 Mg N2 O20 P2 -","- C40 H88 Mg4 N8 O80 P8 -","4","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","1.54178","CuKα","","0.1624","0.0814","","","0.1711","0.216","","","","","","1.039","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208386","17.445","0.004","13.883","0.003","24.348","0.005","90","","90","","90","","5897","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SU-71","","","- C10.62 H32.32 Ge7 N5.31 O17 -","- C10.62 H3 Ge7 N5.31 O17 -","- C84.96 H24 Ge56 N42.48 O136 -","8","1","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","synchrotron","","0.0714","0.0679","","","0.1735","0.1763","","","","","","1.045","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208387","23.062","0.005","32.711","0.007","23.936","0.005","90","","96.77","0.03","90","","17931","7","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","SU-72","","","- C63.33 H273.22 Ge85 N38 O218 -","- C12 H36 Ge85 N12 O218 -","- C24 H72 Ge170 N24 O436 -","2","0.25","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","","","0.2361","0.0995","","","0.239","0.2691","","","","","","1.073","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208388","54.371","0.011","8.86","0.0018","31.224","0.006","90","","90","","90","","15041","5","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","SU-73","","","- C46.56 H154.45 Ge35.26 N23.28 O88.56 -","- C46.56 H12.5 Ge35.26 N23.28 O88.56 -","- C186.24 H50 Ge141.04 N93.12 O354.24 -","4","0.5","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","synchrotron","","0.0784","0.0535","","","0.136","0.1464","","","","","","1.005","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208389","41.616","0.008","15.67","0.003","15.67","0.003","90","","90","","90","","10219","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 Eu6 N30 O4 S14 Sb4 -","- C48 H138 Cl2 Eu6 N30 O4 S14 Sb4 -","- C192 H552 Cl8 Eu24 N120 O16 S56 Sb16 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0568","0.0402","","","0.08","0.0824","","","","","","0.897","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208390","26.089","0.005","13.499","0.003","13.337","0.003","90","","90","","90","","4697","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Eu N8 S4 Sb -","- C12 H36 Eu N8 S4 Sb -","- C96 H288 Eu8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0242","0.0202","","","0.0416","0.0435","","","","","","1.088","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208391","13.44","0.003","13.324","0.003","26.002","0.005","90","","90","","90","","4656.3","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Gd N8 S4 Sb -","- C12 H36 Gd N8 S4 Sb -","- C96 H288 Gd8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0387","0.0237","","","0.0456","0.05","","","","","","1.011","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208392","13.441","0.003","13.312","0.003","26.026","0.005","90","","90","","90","","4656.7","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Er N8 S4 Sb -","- C12 H36 Er N8 S4 Sb -","- C96 H288 Er8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0495","0.0268","","","0.0526","0.06","","","","","","1.013","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208393","15.543","0.003","15.647","0.003","41.256","0.008","90","","90","","90","","10034","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 N30 O4 S14 Sb4 Y6 -","- C48 H138 Cl2 N30 O4 S14 Sb4 Y6 -","- C192 H552 Cl8 N120 O16 S56 Sb16 Y24 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0962","0.0511","","","0.0977","0.1121","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208394","15.548","0.003","15.682","0.003","41.22","0.008","90","","90","","90","","10050","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 Er6 N30 O4 S14 Sb4 -","- C48 H138 Cl2 Er6 N30 O4 S14 Sb4 -","- C192 H552 Cl8 Er24 N120 O16 S56 Sb16 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0425","0.0365","","","0.0774","0.08","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208395","14.281","0.003","15.686","0.003","16.025","0.003","90","","104.33","0.03","90","","3478.1","1.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48.5 Cl Gd2 N10 O2.25 S4 Sb -","- C16 H48 Cl Gd2 N10 O2.25 S4 Sb -","- C64 H192 Cl4 Gd8 N40 O9 S16 Sb4 -","4","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0221","0.0188","","","0.0423","0.0436","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208396","13.4409","0.0008","15.3904","0.0008","19.3895","0.001","90","","91.252","0.003","90","","4010","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ag2 N10 O6 -","- C16 H16 Ag2 N10 O6 -","- C128 H128 Ag16 N80 O48 -","8","2","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.0533","0.0308","","","0.061","0.0692","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208397","11.8432","0.0004","12.4409","0.0004","15.8426","0.0004","90","","109.147","0.001","90","","2205.12","0.12","296","2","296.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C34 H35 Ag3 Cl3 N17 O12 -","- C34 H35 Ag3 Cl3 N17 O12 -","- C68 H70 Ag6 Cl6 N34 O24 -","2","1","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.0221","0.0204","","","0.0477","0.0485","","","","","","1.033","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208398","21.9927","0.0005","12.7858","0.0003","11.2203","0.0003","90","","90","","90","","3155.08","0.13","296","2","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H12 Ag F6 N6 P -","- C12 H12 Ag F6 N6 P -","- C96 H96 Ag8 F48 N48 P8 -","8","1","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.027","0.0203","","","0.0483","0.0516","","","","","","1.042","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208399","15.1751","0.0003","15.1751","0.0003","22.5604","0.0008","90","","90","","90","","5195.3","0.2","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H36 N6 O14 Zn3 -","- C26 H14 N4 O12 Zn3 -","- C104 H56 N16 O48 Zn12 -","4","0.5","","Shen, Lingjuan; Gray, Danielle; Masel, Richard I.; Girolami, Gregory S.","Synthesis and characterization of a zinc metal‒organic framework with chiral nano-pores","CrystEngComm","2012","14","16","5145","","10.1039/c2ce25780g","","","1.54178","CuKα","","0.0427","0.0422","","","0.1174","0.1178","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208400","19.5999","0.0018","28.716","0.003","19.817","0.0018","90","","112.339","0.0012","90","","10316.6","1.7","97","","97","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C144 H96 N12 O24 Rh6 -","- C144 H86 N12 O24 Rh6 -","- C288 H172 N24 O48 Rh12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0559","","","","0.1731","","","","","","1.076","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208401","19.709","0.003","28.892","0.004","20.386","0.003","90","","113.556","0.002","90","","10641","3","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H84 F12 N12 O24 Rh6 -","- C144 H78 F12 N12 O24 Rh6 -","- C288 H156 F24 N24 O48 Rh12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0728","","","","0.217","","","","","","0.959","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208402","19.686","0.003","28.643","0.004","19.816","0.003","90","","112.198","0.003","90","","10345","3","97","","97","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C144 H96 N12 O24 Ru6 -","- C144 H96 N12 O24 Ru6 -","- C288 H192 N24 O48 Ru12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0593","","","","0.1501","","","","","","0.872","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208403","19.738","0.003","28.91","0.004","19.689","0.003","90","","112.663","0.003","90","","10368","3","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H84 F12 N12 O24 Ru6 -","- C144 H70 F12 N12 O24 Ru6 -","- C288 H140 F24 N24 O48 Ru12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0716","","","","0.2226","","","","","","1.079","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208404","19.732","0.003","28.95","0.003","20.193","0.003","90","","113.269","0.002","90","","10597","3","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H84 F12 N12 O24 Ru6 -","- C144 H78 F12 N12 O24 Ru6 -","- C288 H156 F24 N24 O48 Ru12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0647","","","","0.1985","","","","","","1.063","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208405","8.922","0.004","13.157","0.006","13.644","0.006","90","","92.214","0.008","90","","1600.4","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H40 Mo2 N4 O17 -","- C22 H40 Mo2 N4 O17 -","- C44 H80 Mo4 N8 O34 -","2","1","","Li, Fengcai; Xu, Li","Countercation-directed chiral resolution of [Mo2O4(H2dtpa)]−, syntheses, crystal structures and CD spectra of (λ)-[NEt4][Mo2O4(H2dtpa)] and (δ)-Na[Mo2O4(H2dtpa)]","CrystEngComm","2012","14","16","5174","","10.1039/c2ce25874a","","","0.71073","MoKα","","0.0307","0.0301","","","0.0804","0.0812","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208406","7.529","0.003","7.752","0.003","10.903","0.003","71.991","0.012","76.257","0.015","83.426","0.014","587.3","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H26 Mo2 N3 Na O17 -","- C14 H26 Mo2 N3 Na O17 -","- C14 H26 Mo2 N3 Na O17 -","1","1","","Li, Fengcai; Xu, Li","Countercation-directed chiral resolution of [Mo2O4(H2dtpa)]−, syntheses, crystal structures and CD spectra of (λ)-[NEt4][Mo2O4(H2dtpa)] and (δ)-Na[Mo2O4(H2dtpa)]","CrystEngComm","2012","14","16","5174","","10.1039/c2ce25874a","","","0.71073","MoKα","","0.0223","0.0206","","","0.0504","0.072","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208407","8.8341","0.0003","17.4965","0.0007","17.9724","0.0006","90","","90","","90","","2777.92","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N5 O14 Sm Zn -","- C21 H24 N5 O14 Sm Zn -","- C84 H96 N20 O56 Sm4 Zn4 -","4","1","","Pasatoiu, Traian D.; Madalan, Augustin M.; Zamfirescu, Marian; Tiseanu, Carmen; Andruh, Marius","One- and two-photon induced emission in heterobimetallic Zn(II)-Sm(III) and Zn(II)-Tb(III) complexes with a side-off compartmental ligand.","Physical chemistry chemical physics : PCCP","2012","14","32","11448","11456","10.1039/c2cp41026e","","","0.71073","MoKα","","0.0696","0.0435","","","0.0532","0.0573","","","","","","0.956","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208408","8.895","0.0007","13.2908","0.0011","13.3864","0.001","83.147","0.006","71.607","0.006","73.388","0.006","1438.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 N5 O15 Tb Zn -","- C21 H26 N5 O15 Tb Zn -","- C42 H52 N10 O30 Tb2 Zn2 -","2","1","","Pasatoiu, Traian D.; Madalan, Augustin M.; Zamfirescu, Marian; Tiseanu, Carmen; Andruh, Marius","One- and two-photon induced emission in heterobimetallic Zn(II)-Sm(III) and Zn(II)-Tb(III) complexes with a side-off compartmental ligand.","Physical chemistry chemical physics : PCCP","2012","14","32","11448","11456","10.1039/c2cp41026e","","","0.71073","MoKα","","0.0585","0.0379","","","0.0761","0.0819","","","","","","0.957","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208409","8.9096","0.0006","13.3969","0.0009","13.3013","0.0009","83.137","0.005","73.461","0.005","71.472","0.005","1442.35","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 Gd N5 O15 Zn -","- C21 H26 Gd N5 O15 Zn -","- C42 H52 Gd2 N10 O30 Zn2 -","2","1","","Pasatoiu, Traian D.; Madalan, Augustin M.; Zamfirescu, Marian; Tiseanu, Carmen; Andruh, Marius","One- and two-photon induced emission in heterobimetallic Zn(II)-Sm(III) and Zn(II)-Tb(III) complexes with a side-off compartmental ligand.","Physical chemistry chemical physics : PCCP","2012","14","32","11448","11456","10.1039/c2cp41026e","","","0.71073","MoKα","","0.0477","0.0377","","","0.0883","0.0923","","","","","","1.038","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208410","11.373","0.002","11.8524","0.0015","13.975","0.002","95.484","0.012","112.666","0.017","91.976","0.013","1725.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cl6 N2 O5 -","- C34 H28 Cl6 N2 O5 -","- C68 H56 Cl12 N4 O10 -","2","1","","Khurana, Jitender M.; Chaudhary, Ankita; Lumb, Anshika; Nand, Bhaskara","An expedient four-component domino protocol for the synthesis of novel benzo[a]phenazine annulated heterocycles and their photophysical studies","Green Chemistry","2012","14","8","2321","","10.1039/c2gc35644a","","","0.71073","MoKα","","0.1296","0.0871","","","0.2353","0.2639","","","","","","1.055","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208434","16.011","0.003","5.987","0.0012","19.649","0.004","90","","111.46","0.03","90","","1752.9","0.7","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H9 I3 N4 S -","- C12 H9 I3 N4 S -","- C48 H36 I12 N16 S4 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0585","0.0329","","","0.07","0.0787","","","","","","1.049","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208435","15.91","0.001","8.392","0.001","16.09","0.001","90","","101.14","0.01","90","","2107.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 I5 N4 S -","- C12 H9 I5 N4.002 S1.018 -","- C48 H36 I20 N16.008 S4.072 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0677","0.0281","","","0.0532","0.0549","","","","","","0.624","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208436","11.773","0.002","8.06","0.001","18.058","0.003","90","","108.44","0.01","90","","1625.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br2 I N4 S -","- C12 H9 Br2 I N3.998 S0.986 -","- C48 H36 Br8 I4 N15.992 S3.944 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0416","0.0285","","","0.063","0.064","","","","","","0.841","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208437","10.905","0.004","11.753","0.01","16.185","0.006","75.08","0.04","72.27","0.03","80.78","0.05","1902","2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 I6 N8 O S2 -","- C28 H16 I6 N7.999 O S1.9974 -","- C56 H32 I12 N15.998 O2 S3.9948 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.1253","0.062","","","0.175","0.2001","","","","","","1.073","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208438","13.306","0.0009","24.8569","0.0018","14.2466","0.001","90","","93.29","0.01","90","","4704.2","0.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Br2 I N4 S -","- C12 H9 Br2 I N4.00067 S0.973333 -","- C144 H108 Br24 I12 N48.008 S11.68 -","12","3","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0886","0.0507","","","0.1622","0.171","","","","","","1.054","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208439","10.406","0.003","17.329","0.004","10.443","0.005","90","","99.05","0.03","90","","1859.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 I4 N4 S -","- C12 H8 I4 N4.02 S0.982 -","- C48 H32 I16 N16.08 S3.928 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.088","0.0294","","","0.0531","0.0617","","","","","","1.026","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208440","5.66513","0.00016","9.0127","0.0004","9.7723","0.0005","109.318","0.004","102.263","0.003","100.163","0.003","443.35","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0405","0.0351","","","0.0939","0.0973","","","","","","1.067","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208441","5.66521","0.00018","8.9987","0.0004","9.7696","0.0005","109.516","0.004","102.251","0.003","100.096","0.003","442.06","0.04","275","2","275","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0412","0.0356","","","0.0976","0.1016","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208442","5.66264","0.00017","8.9788","0.0004","9.7642","0.0004","109.682","0.004","102.236","0.003","100.002","0.003","440.33","0.03","250","2","250","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0384","0.0332","","","0.0878","0.0911","","","","","","1.044","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208443","5.66107","0.00017","8.9574","0.0005","9.7578","0.0005","109.831","0.005","102.228","0.004","99.913","0.003","438.59","0.04","225","2","225","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0417","0.0355","","","0.0913","0.0956","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208444","5.66062","0.00016","8.9394","0.0004","9.7525","0.0005","109.967","0.004","102.224","0.003","99.833","0.003","437.16","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0357","0.0315","","","0.0859","0.0884","","","","","","1.057","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208445","5.65949","0.00016","8.9271","0.0004","9.7495","0.0004","110.093","0.004","102.22","0.003","99.769","0.003","436.06","0.03","175","2","175","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.037","0.0323","","","0.0842","0.0871","","","","","","1.044","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208446","5.65706","0.00014","8.9064","0.0004","9.7446","0.0004","110.208","0.004","102.193","0.003","99.702","0.003","434.47","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0351","0.0307","","","0.0809","0.0839","","","","","","1.037","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208447","5.65476","0.00017","8.8702","0.0004","9.7344","0.0004","110.377","0.004","102.167","0.003","99.621","0.003","431.74","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.041","0.0346","","","0.0868","0.0902","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208448","5.2748","0.0002","6.6507","0.0003","10.4397","0.0003","86.836","0.003","76.833","0.003","70.093","0.004","335.2","0.02","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0358","0.0315","","","0.092","0.0939","","","","","","1.12","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208449","5.2705","0.0003","6.6419","0.0004","10.4243","0.0005","86.895","0.004","76.869","0.004","70.16","0.005","334.17","0.03","275","2","275","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0421","0.0351","","","0.1012","0.1041","","","","","","1.069","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208450","5.2672","0.0003","6.6328","0.0004","10.4111","0.0004","86.956","0.004","76.887","0.004","70.227","0.005","333.24","0.03","250","2","250","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.04","0.0342","","","0.0979","0.1004","","","","","","1.08","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208451","5.2644","0.0003","6.6233","0.0004","10.3965","0.0004","87.021","0.004","76.908","0.004","70.282","0.005","332.26","0.03","225","2","225","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0398","0.034","","","0.0976","0.0999","","","","","","1.09","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208452","5.2615","0.0003","6.6145","0.0004","10.3827","0.0004","87.08","0.004","76.924","0.004","70.335","0.005","331.32","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.037","0.0328","","","0.0934","0.0951","","","","","","1.098","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208453","5.2589","0.0003","6.6056","0.0004","10.3687","0.0004","87.155","0.004","76.947","0.004","70.385","0.005","330.39","0.03","175","2","175","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0391","0.0334","","","0.0916","0.0941","","","","","","1.079","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208454","5.2563","0.0003","6.598","0.0003","10.3562","0.0004","87.226","0.004","76.973","0.004","70.438","0.005","329.58","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0367","0.0325","","","0.0878","0.0894","","","","","","1.089","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208455","5.254","0.0003","6.5904","0.0003","10.3425","0.0004","87.327","0.004","77.009","0.004","70.477","0.005","328.73","0.03","125","2","125","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0357","0.0314","","","0.0834","0.0852","","","","","","1.073","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208456","5.2521","0.0002","6.5844","0.0003","10.3311","0.0002","87.44","0.003","77.032","0.003","70.505","0.003","328.02","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0273","0.0257","","","0.0713","0.0719","","","","","","1.08","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208457","5.08996","0.00015","5.8843","0.0002","6.5214","0.0002","96.452","0.003","103.859","0.003","102.076","0.003","182.703","0.011","295","2","295","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0334","0.0291","","","0.0701","0.0729","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208458","5.07618","0.00015","5.8583","0.0002","6.5043","0.0002","96.3","0.003","103.661","0.003","102.203","0.003","181.091","0.011","250","2","250","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0312","0.0287","","","0.0731","0.0746","","","","","","1.053","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208459","5.06381","0.00014","5.83621","0.00018","6.4864","0.0002","96.162","0.003","103.409","0.003","102.331","0.003","179.669","0.01","200","2","200","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0263","0.0252","","","0.0646","0.0652","","","","","","1.085","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208460","5.053","0.00017","5.81773","0.00018","6.4717","0.0002","96.051","0.003","103.212","0.003","102.439","0.003","178.456","0.011","150","2","150","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0244","0.0237","","","0.0615","0.0621","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208461","5.04324","0.00014","5.80332","0.00017","6.4627","0.0002","95.944","0.003","103.086","0.003","102.516","0.003","177.525","0.01","100","2","100","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0236","0.0232","","","0.0604","0.0608","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208462","8.0773","0.0003","21.049","0.0007","34.7351","0.0015","90","","90","","90","","5905.6","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H28.5 Cd N8 O10.25 -","- C23 H28.5 Cd N8 O10.25 -","- C184 H228 Cd8 N64 O82 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0901","0.0547","","","0.1212","0.139","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208463","10.2045","0.0003","16.3187","0.0006","13.9348","0.0005","90","","99.7","0.003","90","","2287.31","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 Cd N8 O4 -","- C23 H16 Cd N8 O4 -","- C92 H64 Cd4 N32 O16 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0635","0.0395","","","0.069","0.0782","","","","","","1.018","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208464","9.1097","0.0005","9.5613","0.0005","14.6922","0.0007","88.285","0.004","86.169","0.004","64.289","0.005","1150.42","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cd N8 O5 -","- C23 H16 Cd N8 O5 -","- C46 H32 Cd2 N16 O10 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.038","0.0312","","","0.0655","0.069","","","","","","1.028","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208465","11.2255","0.0004","11.5675","0.0003","15.6687","0.0004","94.647","0.002","110.543","0.003","92.245","0.003","1893.96","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 Cd5 N16 Na2 O34 -","- C66 H36 Cd5 N16 Na2 O34 -","- C66 H36 Cd5 N16 Na2 O34 -","1","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0346","0.0298","","","0.0781","0.082","","","","","","1.041","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208466","10.0266","0.0002","21.0636","0.0006","16.6202","0.0004","90","","90","","90","","3510.12","0.15","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H24 Cd3 N8 O15 -","- C33 H8 Cd3 N8 O15 -","- C132 H32 Cd12 N32 O60 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0536","0.0446","","","0.1018","0.1065","","","","","","1.11","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208467","10.1516","0.0004","16.5563","0.0007","13.2469","0.0005","90","","98.846","0.004","90","","2199.96","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N8 O4 Zn -","- C23 H16 N8 O4 Zn -","- C92 H64 N32 O16 Zn4 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0566","0.0391","","","0.086","0.0953","","","","","","1.035","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208468","35.7465","0.0014","11.2708","0.0003","14.9426","0.0006","90","","106.934","0.004","90","","5759.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H47 N16 O17.5 Zn3 -","- C54 H41 N16 O17.5 Zn3 -","- C216 H164 N64 O70 Zn12 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0581","0.0403","","","0.0963","0.1045","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208469","9.929","0.0002","16.2793","0.0004","21.263","0.0004","90","","90","","90","","3436.89","0.13","293","2","293","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C33 H24 N8 O15 Zn3 -","- C33 H12 N8 O15 Zn3 -","- C132 H48 N32 O60 Zn12 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0839","0.0808","","","0.1661","0.1675","","","","","","1.17","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208470","9.652","0.005","10.704","0.005","11.159","0.006","90","","90","","90","","1152.9","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C40 H20 N12 O16 Zn4 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Spontaneous resolution of a coordination polymer containing stereogenic five-coordinate Zn(ii) centers and achiral ligands with axially chiral conformation","CrystEngComm","2012","14","19","6241","","10.1039/c2ce25428j","","","0.71073","MoKα","","0.0501","0.0361","","","0.0833","0.0908","","","","","","1.002","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208471","9.641","0.002","10.711","0.002","11.172","0.003","90","","90","","90","","1153.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C40 H20 N12 O16 Zn4 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Spontaneous resolution of a coordination polymer containing stereogenic five-coordinate Zn(ii) centers and achiral ligands with axially chiral conformation","CrystEngComm","2012","14","19","6241","","10.1039/c2ce25428j","","","0.71073","MoKα","","0.0712","0.0414","","","0.0802","0.0901","","","","","","1.02","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208472","20.4862","0.0005","16.2663","0.0005","16.9774","0.0005","90","","99.12","0.003","90","","5585.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H116 N20 O32 Zn4 -","- C96 H92 N20 O32 Zn4 -","- C192 H184 N40 O64 Zn8 -","2","0.25","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71073","MoKα","","0.0772","0.0553","","","0.1505","0.1645","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208473","24.6475","0.0019","7.5175","0.0004","23.1062","0.0017","90","","115.938","0.009","90","","3850","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Co N3 O5 -","- C19 H16 Co N3 O5 -","- C152 H128 Co8 N24 O40 -","8","1","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71073","MoKα","","0.0637","0.0417","","","0.0757","0.0841","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208474","12.173","0.0006","24.055","0.001","14.235","0.0006","90","","91.543","0.004","90","","4166.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H74 N8 O14 Zn2 -","- C79 H67.6 N8 O14 Zn2 -","- C158 H135.2 N16 O28 Zn4 -","2","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.1754","0.087","","","0.1588","0.1887","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208475","12.617","0.0008","25.866","0.001","11.461","0.0007","90","","120.449","0.008","90","","3224.5","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H32 Co N4 O5 -","- C39 H32 Co N4 O5 -","- C156 H128 Co4 N16 O20 -","4","1","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0496","0.0377","","","0.0613","0.0663","","","","","","0.99","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208476","5.543","0.0003","14.59","0.0007","14.935","0.0007","100.202","0.004","94.958","0.004","98.558","0.004","1167.58","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cd2 N6 O14 -","- C52 H34 Cd2 N6 O14 -","- C52 H34 Cd2 N6 O14 -","1","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0375","0.0319","","","0.0708","0.0748","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208477","11.64","0.0008","7.142","0.0003","22.778","0.001","90","","91.812","0.005","90","","1892.65","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H30 Cd3 N8 O14 -","- C34 H30 Cd3 N8 O14 -","- C68 H60 Cd6 N16 O28 -","2","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0865","0.0566","","","0.1045","0.119","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208478","4.864","0.0003","9.645","0.0006","27.587","0.0017","90","","92.265","0.006","90","","1293.19","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O11 Pb2 -","- C28 H18 N2 O11 Pb2 -","- C56 H36 N4 O22 Pb4 -","2","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71073","MoKα","","0.0691","0.0439","","","0.0785","0.0933","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208479","12.028","0.003","6.7017","0.0019","8.628","0.003","90","","97.218","0.004","90","","690","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Co O6 -","- C16 H12 Co O6 -","- C32 H24 Co2 O12 -","2","0.5","","Gao, Ting; Wang, Xiao-Zhu; Gu, Hao-Xue; Xu, Yan; Shen, Xuan; Zhu, Dun-Ru","Two 3D metal‒organic frameworks with different topologies, thermal stabilities and magnetic properties","CrystEngComm","2012","14","18","5905","","10.1039/c2ce25442e","","","0.71073","MoKα","","0.0596","0.0398","","","0.0972","0.1369","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208480","7.7455","0.0014","7.7455","0.0014","24.912","0.009","90","","90","","90","","1494.5","0.7","296","2","296","2","","","","","","","","4","I -4","I -4","82","","","","- C16 H12 Mn O6 -","- C16 Mn O6 -","- C64 Mn4 O24 -","4","0.5","","Gao, Ting; Wang, Xiao-Zhu; Gu, Hao-Xue; Xu, Yan; Shen, Xuan; Zhu, Dun-Ru","Two 3D metal‒organic frameworks with different topologies, thermal stabilities and magnetic properties","CrystEngComm","2012","14","18","5905","","10.1039/c2ce25442e","","","0.71073","MoKα","","0.0556","0.0483","","","0.1272","0.133","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208481","6.5797","0.0002","7.7589","0.0002","18.7911","0.0004","90","","90","","90","","959.31","0.04","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Li -","- C12 H11 Li -","- C48 H44 Li4 -","4","1","","Foy, Justin T.; Wilkes, Elise B.; Aprahamian, Ivan","Self-assembly of benzyl cyclopentadienyl lithium","CrystEngComm","2012","14","19","6126","","10.1039/c2ce25447f","","x-ray","0.71073","MoKα","","0.0495","0.0355","","","0.0705","0.0765","","","","","","1.09","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208482","12.4772","0.0002","12.226","0.0001","18.0714","0.0003","90","","120.468","0.001","90","","2376.06","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N4 O6.5 Zn -","- C26 H19 N4 O6.5 Zn -","- C104 H76 N16 O26 Zn4 -","4","1","","Sun, Gong-ming; Song, Yu-mei; Liu, Yan; Tian, Xiao-zhao; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-jun; Feng, Xue-feng; Luo, Ming-biao; Liu, Shu-juan; Xu, Wen-yuan; Luo, Feng","A novel 2D→3D array in a vertical mode containing both polyrotaxane and polycatenane motifs","CrystEngComm","2012","14","18","5714","","10.1039/c2ce25456e","","","0.71073","MoKα","","0.0384","0.0325","","","0.0801","0.0858","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208483","7.4937","0.0013","11.609","0.002","14.781","0.003","102.927","0.003","102.71","0.003","93.364","0.003","1214.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl12 N10 O4 Pt3 -","- C36 H40 Cl12 N10 O4 Pt3 -","- C36 H40 Cl12 N10 O4 Pt3 -","1","0.5","","Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.","Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole","CrystEngComm","2012","14","19","6146","","10.1039/c2ce25476j","","","0.71073","MoKα","","0.0672","0.056","","","0.1103","0.1154","","","","","","1.143","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208484","6.9399","0.0008","14.5758","0.0017","21.126","0.003","90","","92.407","0.002","90","","2135.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl5 Cu N5 -","- C18 H16 Cl5 Cu N5 -","- C72 H64 Cl20 Cu4 N20 -","4","1","","Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.","Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole","CrystEngComm","2012","14","19","6146","","10.1039/c2ce25476j","","","0.71073","MoKα","","0.041","0.0383","","","0.0839","0.0851","","","","","","1.218","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208485","7.5469","0.0008","11.5778","0.0012","14.6595","0.0015","102.136","0.002","102.265","0.002","93.705","0.002","1215.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl12 N10 O4 Pd3 -","- C36 H40 Cl12 N10 O4 Pd3 -","- C36 H40 Cl12 N10 O4 Pd3 -","1","0.5","","Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.","Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole","CrystEngComm","2012","14","19","6146","","10.1039/c2ce25476j","","","0.71073","MoKα","","0.0376","0.0333","","","0.078","0.081","","","","","","1.042","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208486","8.3938","0.0015","21.103","0.004","16.647","0.003","90","","102.118","0.005","90","","2883","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N7 O2 S4 Zn -","- C22 H21 N7 O2 S4 Zn -","- C88 H84 N28 O8 S16 Zn4 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.0691","0.0461","","","0.0985","0.1125","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208487","14.14","0.005","14.784","0.004","11.087","0.004","90","","103.242","0.011","90","","2256.1","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H16 N6 O2 S4 Zn -","- C16 H16 N6 O2 S4 Zn -","- C64 H64 N24 O8 S16 Zn4 -","4","0.5","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.0586","0.042","","","0.1048","0.1172","","","","","","1.046","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208488","4.722","0.003","21.523","0.011","20.208","0.011","90","","93.513","0.016","90","","2050","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N6 S4 Zn -","- C16 H12 N6 S4 Zn -","- C64 H48 N24 S16 Zn4 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.069","0.0466","","","0.1089","0.1251","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208489","14.756","0.007","12.82","0.006","16.142","0.008","90","","100.053","0.013","90","","3007","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Fe N14 O4 S6 -","- C54 H52 Fe N14 O4 S6 -","- C108 H104 Fe2 N28 O8 S12 -","2","0.5","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.2002","0.11","","","0.2647","0.3234","","","","","","1.092","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208490","14.545","0.003","13.784","0.003","16.111","0.003","90","","101.06","0.03","90","","3170.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Co N6 S4 -","- C30 H24 Co N6 S4 -","- C120 H96 Co4 N24 S16 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.71073","MoKα","","0.1881","0.0842","","","0.1792","0.2284","","","","","","1.096","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208491","13.956","0.003","13.69","0.003","13.951","0.003","90","","99.09","0.03","90","","2632","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cl4 N2 Zn -","- C26 H24 Cl4 N2 Zn -","- C104 H96 Cl16 N8 Zn4 -","4","0.5","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.71073","MoKα","","0.0471","0.0375","","","0.0927","0.1012","","","","","","1.062","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208492","14.585","0.007","13.793","0.006","16.038","0.007","90","","101.247","0.014","90","","3164","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N6 S4 Zn -","- C30 H24 N6 S4 Zn -","- C120 H96 N24 S16 Zn4 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.1887","0.0687","","","0.1453","0.1909","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208493","19.777","0.003","19.777","0.003","46.892","0.009","90","","90","","90","","18341","5","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C100 H79 N10 O25 Zn5 -","- C100 H66 N10 O25 Zn5 -","- C800 H528 N80 O200 Zn40 -","8","0.5","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1295","0.1","","","0.2486","0.2707","","","","","","1.175","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208494","19.022","0.004","16.166","0.003","29.481","0.006","90","","99.32","0.03","90","","8946","3","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C106 H75 N9 O16 Zn4 -","- C106 H75 N9 O16 Zn4 -","- C424 H300 N36 O64 Zn16 -","4","0.5","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1029","0.0624","","","0.1324","0.1538","","","","","","1.086","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208495","11.398","0.002","7.0474","0.0014","25.64","0.007","90","","107.84","0.03","90","","1960.5","0.8","223.15","","223.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H18 N2 O5 Zn -","- C21 H16 N2 O5 Zn -","- C84 H64 N8 O20 Zn4 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1293","0.0803","","","0.1933","0.2465","","","","","","1.18","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208496","21.739","0.004","23.577","0.005","7.4591","0.0015","90","","90","","90","","3823.1","1.3","293.15","","293.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C42 H30 N4 O13 Zn2 -","- C42 H28 N4 O13 Zn2 -","- C168 H112 N16 O52 Zn8 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.0506","0.0423","","","0.0966","0.1019","","","","","","1.017","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208497","30.9","0.006","7.6409","0.0015","16.156","0.003","90","","103.35","0.03","90","","3711.4","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N3 O5 Zn -","- C20 H17 N3 O5 Zn -","- C160 H136 N24 O40 Zn8 -","8","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1493","0.1197","","","0.3091","0.3334","","","","","","1.209","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208498","30.877","0.006","8.0459","0.0016","9.1577","0.0018","90","","90","","90","","2275.1","0.8","293.15","","293.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H18 N2 O5 Zn -","- C27 H18 N2 O5 Zn -","- C108 H72 N8 O20 Zn4 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1244","0.0635","","","0.1344","0.1767","","","","","","0.845","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208499","17.8372","0.0019","21.164","0.002","21.721","0.002","90","","90.3","0.002","90","","8199.7","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cd2 N4 O9 -","- C40 H40 Cd2 N4 O9 -","- C160 H160 Cd8 N16 O36 -","4","1","","Gao, Wen-Yang; Niu, Youhong; Chen, Yao; Wojtas, Lukasz; Cai, Jianfeng; Chen, Yu-Sheng; Ma, Shengqian","Porous metal‒organic framework based on a macrocyclic tetracarboxylate ligand exhibiting selective CO2 uptake","CrystEngComm","2012","14","19","6115","","10.1039/c2ce25484k","","","0.49594","synchrotron","","0.1012","0.0725","","","0.193","0.2019","","","","","","1.031","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208500","7.5375","0.0011","8.5549","0.0012","14.7035","0.0021","101.088","0.002","98.465","0.002","92.66","0.002","917.6","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O10 -","- C40 H34 N4 O10 -","- C40 H34 N4 O10 -","1","0.5","","Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.","Critical role of weak [C‒H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets","CrystEngComm","2012","14","19","6152","","10.1039/c2ce25485a","","","0.71073","MoKα","","0.0896","0.0453","","","0.1164","0.149","","","","","","1.022","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208501","9.041","0.0018","10.56","0.002","11.85","0.002","65.99","0.03","79.99","0.03","88.69","0.03","1016.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cl4 N4 O4 -","- C44 H34 Cl4 N4 O4 -","- C44 H34 Cl4 N4 O4 -","1","0.5","","Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.","Critical role of weak [C–H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets","CrystEngComm","2012","14","19","6152","","10.1039/c2ce25485a","","","0.71075","MoKα","","0.1831","0.0869","","","0.232","0.2945","","","","","","1.028","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208502","7.4382","0.0009","17.0249","0.0019","20.224","0.002","96.374","0.009","97.194","0.009","94.166","0.008","2515.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","uhouston01","uhouston01","","- C60 H34 N4 O6 -","- C60 H34 N4 O6 -","- C120 H68 N8 O12 -","2","1","","Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.","Critical role of weak [C–H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets","CrystEngComm","2012","14","19","6152","","10.1039/c2ce25485a","","","1.54178","CuKα","","0.1112","0.0799","","","0.2156","0.2316","","","","","","1.046","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208503","13.4049","0.0004","48.9616","0.0014","12.2121","0.0004","90","","90","","90","","8015.1","0.4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H27 N3 O6 -","- C18 H27 N3 O6 -","- C288 H432 N48 O96 -","16","1","","Singh, Rajiv K.; Hou, Xiaodong; Overby, Molly; Schober, Matthew; Chu, Qianli","Hydrogen bonded chiral sheet self-assembled from a C3-symmetric tricarbamate","CrystEngComm","2012","14","19","6132","","10.1039/c2ce25487e","","","0.71073","MoKα","","0.0298","0.0273","","","0.0763","0.0814","","","","","","1.091","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208504","15.4964","0.0011","8.8674","0.0006","13.2985","0.0009","90","","109.423","0.001","90","","1723.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Theophylline-melamine","","","- C12 H20 N10 O3 S -","- C12 H20 N10 O3 S -","- C48 H80 N40 O12 S4 -","4","1","","Abourahma, Heba; Urban, Jennifer M.; Morozowich, Nicole; Chan, Benny","Examining the robustness of a theophylline cocrystal during grinding with additives","CrystEngComm","2012","14","19","6163","","10.1039/c2ce25495f","","","0.71073","MoKα","","0.0443","0.0345","","","0.0852","0.0913","","","","","","1.044","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208505","9.7398","0.0015","14.884","0.002","23.545","0.004","90","","98.88","0.002","90","","3372.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 N4 O7 P -","- C29 H53 N4 O7 P -","- C116 H212 N16 O28 P4 -","4","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate–water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.1177","0.0676","","","0.178","0.2101","","","","","","1.004","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208506","13.111","0.0004","5.9151","0.0002","16.309","0.0005","90","","110.012","0.001","90","","1188.44","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate–water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.0457","0.0358","","","0.1031","0.1124","","","","","","1.031","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208507","15.007","0.013","10.891","0.009","16.137","0.014","90","","114.279","0.01","90","","2404","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C96 H96 N32 O16 -","8","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate–water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.1012","0.0469","","","0.1091","0.1347","","","","","","0.959","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208508","9.602","0.005","13.194","0.005","15.104","0.005","113.014","0.005","94.332","0.005","105.702","0.005","1659.6","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 N5 O7 P -","- C28 H52 N5 O7 P -","- C56 H104 N10 O14 P2 -","2","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate–water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.0678","0.0532","","","0.153","0.167","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208509","10.4208","0.0006","10.3302","0.0006","34.5404","0.0019","90","","94.195","0.002","90","","3708.3","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 N2 O9 -","- C45 H38 N2 O9 -","- C180 H152 N8 O36 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.103","0.0741","","","0.1636","0.1796","","","","","","1.03","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208510","18.6545","0.0008","12.6058","0.0005","21.7602","0.0009","90","","90","","90","","5117","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C58 H54 N6 O10 -","- C58 H54 N6 O10 -","- C232 H216 N24 O40 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1559","0.1443","","","0.3535","0.3719","","","","","","1.632","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208511","18.6545","0.0008","21.7602","0.0009","12.6058","0.0005","90","","90","","90","","5117","0.4","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C58 H54 N6 O10 -","- C58 H54 N6 O10 -","- C232 H216 N24 O40 -","4","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1071","0.0982","","","0.2089","0.2127","","","","","","1.195","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208512","28.787","0.003","10.7716","0.0012","14.7431","0.0016","90","","95.24","0.003","90","","4552.5","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 N4 O11 -","- C52 H56 N4 O11 -","- C208 H224 N16 O44 -","4","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1042","0.0729","","","0.1804","0.1995","","","","","","1.087","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208513","13.8994","0.0007","5.4845","0.0003","13.1317","0.0006","90","","101.948","0.002","90","","979.36","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","P50 2-aminopyrazine, (4-NO2-PhCOOH)2","","- C18 H15 N5 O8 -","- C18 H15 N5 O8 -","- C36 H30 N10 O16 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.1557","0.0707","","","0.1821","0.2208","","","","","","1.055","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208514","7.6755","0.0011","8.8822","0.0011","9.6107","0.0015","84.645","0.01","82.063","0.011","74.877","0.01","625.34","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","P54 2-aminopyrazine, 3,5-(NO2)2-PhCOOH","","- C11 H9 N5 O6 -","- C11 H9 N5 O6 -","- C22 H18 N10 O12 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.2102","0.0989","","","0.2664","0.3508","","","","","","1.083","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208515","5.993","0.001","12.1894","0.0018","12.995","0.002","90","","98.803","0.008","90","","938.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","P55 2-aminopyrazine, 3-NO2-PhCOOH","","- C18 H15 N5 O8 -","- C18 H15 N5 O8 -","- C36 H30 N10 O16 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0683","0.0494","","","0.1387","0.1511","","","","","","1.106","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208516","5.3982","0.0009","19.505","0.003","6.9524","0.0012","90","","104.487","0.01","90","","708.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D3 2-aminopyrazine, HOOC-(CH2)2-COOH","","- C12 H16 N6 O4 -","- C12 H16 N6 O4 -","- C24 H32 N12 O8 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.2198","0.1548","","","0.2756","0.2946","","","","","","1.486","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208517","5.2487","0.0003","29.2633","0.0018","7.2357","0.0005","90","","104.958","0.003","90","","1073.7","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D8 2-aminopyrazine, HOOC-(CH2)3-COOH","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0707","0.0485","","","0.1322","0.1459","","","","","","1.066","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208518","5.0231","0.0005","34.308","0.003","7.4377","0.0008","90","","102.85","0.005","90","","1249.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D9 2-aminopyrazine, HOOC-(CH2)5-COOH","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0655","0.0449","","","0.1249","0.1366","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208519","7.7749","0.0005","9.8014","0.0007","9.2097","0.0006","90","","101.56","0.003","90","","687.59","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","D5 2-aminopyrazine, HOOC-(CH2)6-COOH","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C24 H38 N6 O8 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0716","0.051","","","0.1419","0.1544","","","","","","1.099","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208520","5.7935","0.0006","7.509","0.0008","8.7271","0.0008","92.984","0.004","91.952","0.005","98.57","0.005","374.57","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","D4 2-aminopyrazine, HOOC-(CH2)8-COOH","","- C14 H23 N3 O4 -","- C14 H23 N3 O4 -","- C14 H23 N3 O4 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0535","0.0454","","","0.1307","0.1366","","","","","","1.069","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208521","6.8754","0.0007","7.1197","0.0007","13.8665","0.0014","87.951","0.003","86.435","0.003","72.915","0.004","647.46","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","P13 2,6-Br2-3-NH2-pyrazine, 2,5-(HO)2-PhCOOH","","- C11 H9 Br2 N3 O4 -","- C11 H9 Br2 N3 O4 -","- C22 H18 Br4 N6 O8 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0602","0.0429","","","0.1163","0.128","","","","","","1.038","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208522","15.5511","0.0006","5.8057","0.0002","16.0859","0.0006","90","","111.075","0.001","90","","1355.17","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","AR-cc-2c-10 2,6-dibromo-3-aminopyrazine, F5-PhCOOH","","- C11 H4 Br2 F5 N3 O2 -","- C11 H4 Br2 F5 N3 O2 -","- C44 H16 Br8 F20 N12 O8 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0319","0.0231","","","0.0542","0.0577","","","","","","1.012","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208523","7.3153","0.0003","10.4607","0.0004","10.8371","0.0004","65.094","0.002","83.688","0.002","89.742","0.002","746.8","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","P9 2-amino-3,5-dibromopyrazine, 3,5-(NO2)2-PhCOOH","","- C11 H7 Br2 N5 O6 -","- C11 H7 Br2 N5 O6 -","- C22 H14 Br4 N10 O12 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0342","0.0262","","","0.0678","0.0716","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208524","5.6663","0.0005","13.2299","0.0011","17.3426","0.0014","90","","93.911","0.004","90","","1297.05","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ARcc-2c-7 2-amino-3,5-dibromopyrazine, 2,6-difluorobenzoic acid","","- C11 H7 Br2 F2 N3 O2 -","- C11 H7 Br2 F2 N3 O2 -","- C44 H28 Br8 F8 N12 O8 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0605","0.0327","","","0.0653","0.0721","","","","","","1.033","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208525","11.0013","0.0006","14.5518","0.0005","18.9944","0.001","72.26","0.004","82.475","0.004","70.88","0.004","2734.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H32 Cl6 Er4 O22 -","- C51 H32 Cl6 Er4 O22 -","- C102 H64 Cl12 Er8 O44 -","2","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Two-dimensional decanuclear erbium wheel supported by mixed hemimellitate and 4-chlorobenzoate ligands","CrystEngComm","2012","14","18","6045","","10.1039/c2ce25526j","","","0.71073","MoKα","","0.0526","0.0347","","","0.073","0.0886","","","","","","1.005","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208526","10.5264","0.0013","12.9839","0.0016","14.3384","0.0017","84.637","0.002","69.806","0.002","85.307","0.002","1828.6","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H42 Cl Cu N7 O7 -","- C34 H42 Cl Cu N7 O7 -","- C68 H84 Cl2 Cu2 N14 O14 -","2","1","","Zhou, Hong; Pan, Zhi-Quan; Ni, Wen-Hao; Wei, Lai; Huang, Qi-Mao","Coordination polymers of polyamine and macrocycles controlled by pyridine-containing arms","CrystEngComm","2012","14","19","6306","","10.1039/c2ce25547b","","","0.71073","MoKα","","0.0748","0.0672","","","0.179","0.1848","","","","","","1.065","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208527","15.033","0.002","8.0189","0.0012","23.103","0.004","90","","99.649","0.008","90","","2745.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(4-chloro-anilinium) pentabromocadmate","","","- C18 H21 Br5 Cd Cl3 N3 -","- C18 H21 Br5 Cd Cl3 N3 -","- C72 H84 Br20 Cd4 Cl12 N12 -","4","1","","Cao, Lili; Liu, Zhi; Wang, Tao; Dai, Hongxia; Zhang, Liangmin; Tao, Xutang; Cui, Deliang","Investigation of a new organic/inorganic hybrid crystal tri(p-chloro-anilium) pentabromocadmate(II) by in situ PXRD and FTIR methods: Thermal stability and the route to suppress its decomposition","CrystEngComm","2012","14","18","5795","","10.1039/c2ce25571e","","","0.71073","MoKα","","0.1254","0.0538","","","0.0833","0.1023","","","","","","0.994","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208528","4.498","0.0006","6.1858","0.0008","14.4538","0.0018","90.9386","0.0017","94.9448","0.0017","100.039","0.0013","394.33","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C12 H14 Br2 Cl2 N2 -","2","1","","Cao, Lili; Liu, Zhi; Wang, Tao; Dai, Hongxia; Zhang, Liangmin; Tao, Xutang; Cui, Deliang","Investigation of a new organic/inorganic hybrid crystal tri(p-chloro-anilium) pentabromocadmate(II) by in situ PXRD and FTIR methods: Thermal stability and the route to suppress its decomposition","CrystEngComm","2012","14","18","5795","","10.1039/c2ce25571e","","","0.71073","MoKα","","0.1143","0.0741","","","0.1572","0.1803","","","","","","1.102","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208529","6.087","0.004","7.307","0.003","16.041","0.008","90","","109.98","0.03","90","","670.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C24 H32 N8 O8 -","4","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.0374","0.0344","","","0.092","0.0937","","","","","","1.098","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208530","4.995","0.004","11.203","0.007","14.389","0.008","90","","94.44","0.04","90","","802.8","0.9","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.0758","0.0471","","","0.0884","0.0974","","","","","","1.1","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208531","18.938","0.019","11.841","0.011","4.309","0.006","90","","90","","90","","966.3","1.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","0.5","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.1362","0.0764","","","0.1836","0.21","","","","","","1.18","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208532","7.619","0.014","7.888","0.011","8.147","0.009","65.33","0.09","66.81","0.08","72.58","0.1","403.6","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H9 N O3 -","- C7 H9 N O3 -","- C14 H18 N2 O6 -","2","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.1378","0.0746","","","0.1674","0.191","","","","","","1.134","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208533","15.8517","0.0005","11.2658","0.0004","34.8339","0.0009","90","","90","","90","","6220.7","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C64 H44 N8 O16 Zn2 -","- C64 H44 N8 O16 Zn2 -","- C256 H176 N32 O64 Zn8 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0925","0.0671","","","0.1621","0.1824","","","","","","0.983","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208534","10.9501","0.0004","20.6804","0.0009","21.8474","0.0009","90","","94.217","0.002","90","","4934","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H40.5 N6.5 O12.5 Zn2 -","- C49.5 H40.5 N6.5 O12.5 Zn2 -","- C198 H162 N26 O50 Zn8 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0775","0.0572","","","0.1298","0.1448","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208535","10.1561","0.0006","10.2773","0.0006","14.489","0.0009","85.432","0.004","72.012","0.003","83.56","0.003","1427.7","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N4 O11 -","- C26 H20 Cd N4 O11 -","- C52 H40 Cd2 N8 O22 -","2","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0381","0.0317","","","0.0768","0.0793","","","","","","1.049","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208536","8.2505","0.0009","30.086","0.003","10.3031","0.0011","90","","99.913","0.001","90","","2519.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cd N4 O8 -","- C26 H20 Cd N4 O8 -","- C104 H80 Cd4 N16 O32 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0393","0.0377","","","0.0865","0.0875","","","","","","1.248","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208537","8.9846","0.0005","22.9562","0.0011","24.0229","0.0012","90","","90","","90","","4954.8","0.4","123","2","123","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C31 H46 Fe N8 O8 S2 -","- C31 H24 Fe N8 O8 S2 -","- C124 H96 Fe4 N32 O32 S8 -","4","0.25","","Yu, Fan; Li, Bao","Two novel high-dimensional iron(ii) coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2012","14","18","6049","","10.1039/c2ce25607j","","","0.71073","MoKα","","0.0668","0.0459","","","0.1213","0.127","","","","","","0.913","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208538","16.5531","0.0009","11.7181","0.0007","17.4935","0.0008","90","","103.372","0.005","90","","3301.2","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 Fe N6 O6 S2 -","- C29 H30 Fe N6 O6 S2 -","- C116 H120 Fe4 N24 O24 S8 -","4","0.5","","Yu, Fan; Li, Bao","Two novel high-dimensional iron(ii) coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2012","14","18","6049","","10.1039/c2ce25607j","","","0.71073","MoKα","","0.0396","0.0312","","","0.0816","0.0843","","","","","","1.051","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208539","46.8185","0.0015","46.8185","0.0015","9.4253","0.0003","90","","90","","120","","17892.1","1","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C10 H47.66667 Cl4 N11 O25.33333 Pd Pt -","- C10 H29 Cl4 N11 O25.3333 Pd Pt -","- C180 H522 Cl72 N198 O456 Pd18 Pt18 -","18","1","","Albertí, Francisca M.; Mihály, Tímea; Lippert, Bernhard; Miguel, Pablo J. Sanz","Unsupported single-walled water cluster nanotube: A novel hydrogen bonding pattern for water organization","CrystEngComm","2012","14","19","6178","","10.1039/c2ce25647a","","","0.71073","MoKα","","0.1222","0.054","","","0.119","0.128","","","","","","0.981","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7208540","23.2241","0.0018","15.7921","0.0007","20.0361","0.0011","90","","102.581","0.006","90","","7171.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H70 Mn N6 O8 -","- C92 H70 Mn N6 O8 -","- C368 H280 Mn4 N24 O32 -","4","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.1332","0.0652","","","0.1738","0.1923","","","","","","0.929","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208541","23.155","0.004","15.844","0.005","20.126","0.006","90","","102.761","0.005","90","","7201","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H70 Cd N6 O8 -","- C92 H70 Cd N6 O8 -","- C368 H280 Cd4 N24 O32 -","4","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","1.54184","CuKα","","0.0883","0.0613","","","0.1513","0.1654","","","","","","0.932","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208542","15.277","0.003","22.74","0.003","21.277","0.003","90","","93.441","0.014","90","","7378","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H70 N6 Ni O8 -","- C92 H70 N6 Ni O8 -","- C368 H280 N24 Ni4 O32 -","4","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","1.54184","CuKα","","0.2101","0.0867","","","0.2079","0.2524","","","","","","0.991","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208543","17.132","0.0004","17.132","0.0004","29.2524","0.0009","90","","90","","120","","7435.5","0.3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C120 H94 Co N6 O12 -","- C120 H94.02 Co N6 O12 -","- C360 H282.06 Co3 N18 O36 -","3","0.333333","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.1256","0.0941","","","0.2323","0.2411","","","","","","1.198","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208544","18.392","0.0003","18.966","0.0003","15.866","0.0003","90","","90","","90","","5534.42","0.16","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C62 H74 Co N6 O10 -","- C62 H74 Co N6 O10 -","- C248 H296 Co4 N24 O40 -","4","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0761","0.0395","","","0.1093","0.1156","","","","","","0.881","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208545","16.772","0.004","17.601","0.003","19.969","0.005","90","","91.723","0.005","90","","5892","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C130 H140 N12 O17 Zn2 -","- C130 H114 N12 O17 Zn2 -","- C260 H228 N24 O34 Zn4 -","2","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.1758","0.0666","","","0.1612","0.1846","","","","","","0.812","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208546","14.767","0.003","17.448","0.004","17.88","0.008","116.355","0.004","96.267","0.003","102.994","0.005","3905","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H146 N4 Na6 O59 Zn6 -","- C154 H136 N4 Na6 O59 Zn6 -","- C154 H136 N4 Na6 O59 Zn6 -","1","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0928","0.0448","","","0.1046","0.1124","","","","","","0.844","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208547","14.772","0.005","17.442","0.004","17.887","0.006","115.964","0.002","96.529","0.007","103.069","0.005","3915","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H144 N6 Na6 O59 Zn6 -","- C152 H130 N6 Na6 O59 Zn6 -","- C152 H130 N6 Na6 O59 Zn6 -","1","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0599","0.0399","","","0.1066","0.1109","","","","","","0.921","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208548","10.788","0.003","18.229","0.006","21.761","0.007","90","","98.766","0.004","90","","4229","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H84 Co4 Na2 O39 -","- C72 H74 Co4 Na2 O39 -","- C144 H148 Co8 Na4 O78 -","2","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0758","0.0475","","","0.1418","0.1507","","","","","","0.96","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208549","9.724","0.003","18.516","0.005","17.637","0.006","90","","99.769","0.005","90","","3129.5","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H56 Cu3 Na2 O24 -","- C72 H56 Cu3 Na2 O24 -","- C144 H112 Cu6 Na4 O48 -","2","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0758","0.0376","","","0.0785","0.0829","","","","","","0.821","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208550","53.477","0.0008","10.565","0.0003","38.155","0.0013","90","","95.734","0.002","90","","21449.1","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C208 H264 Cu7 Na4 O61 -","- C208 H256 Cu7 Na4 O61 -","- C832 H1024 Cu28 Na16 O244 -","4","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.1118","0.0486","","","0.0946","0.1011","","","","","","0.864","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208551","24.2387","0.0006","25.4087","0.0007","18.6362","0.0005","90","","97.552","0.002","90","","11378","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 Na O16 Zn2 -","- C52 H39 Na O16 Zn2 -","- C416 H312 Na8 O128 Zn16 -","8","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.135","0.0619","","","0.1593","0.177","","","","","","0.823","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208552","10.957","0.005","12.644","0.004","21.49","0.003","86.158","0.004","82.931","0.006","67.84","0.007","2735.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H122 Na2 O26 Pb4 -","- C104 H84 Na2 O26 Pb4 -","- C104 H84 Na2 O26 Pb4 -","1","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.1052","0.0588","","","0.1377","0.1471","","","","","","0.908","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208553","5.7447","0.0001","16.4119","0.0002","32.229","0.0005","90","","90","","90","","3038.6","0.08","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyldiphenylphosphine:1,4-diiodotetrafluorobenzene 2/1","methyldiphenylphosphine:1,4-diiodotetrafluorobenzene 2/1","","- C32 H26 F4 I2 O2 P2 -","- C32 H26 F4 I2 O2 P2 -","- C128 H104 F16 I8 O8 P8 -","4","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0418","0.0294","","","0.063","0.0657","","","","","","1.078","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208554","9.444","0.0003","10.8391","0.0004","11.7728","0.0004","111.084","0.002","110.207","0.002","97.956","0.002","1006.63","0.07","180","2","180","2","","","","","","","","6","P -1","-P 1","2","methyldiphenylphosphine oxide","methyldiphenylphosphine oxide: 1,4-diiodotetrafluorobenzene 1/1","","- C19 H13 F4 I2 O P -","- C19 H13 F4 I2 O P -","- C38 H26 F8 I4 O2 P2 -","2","1","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0447","0.0338","","","0.0819","0.0892","","","","","","1.039","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208555","5.7074","0.0001","16.4007","0.0002","31.869","0.0005","90","","90","","90","","2983.11","0.08","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyldiphenylphosphine oxide","methyldiphenylphosphine oxide: 1,4-dibromotetrafluorobenzene 2/1","","- C32 H26 Br2 F4 O2 P2 -","- C32 H26 Br2 F4 O2 P2 -","- C128 H104 Br8 F16 O8 P8 -","4","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0419","0.0327","","","0.0718","0.0754","","","","","","1.063","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208556","6.2187","0.0003","11.6168","0.0007","5.7876","0.0005","90","","93.61","0.03","90","","417.27","0.05","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-diiodotetrafluorobenzene","1,4-diiodotetrafluorobenzene","","- C6 F4 I2 -","- C6 F4 I2 -","- C12 F8 I4 -","2","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0393","0.0313","","","0.0773","0.083","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208557","11.5465","0.0002","5.834","0.0001","24.7421","0.0005","90","","91.269","0.001","90","","1666.28","0.05","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(mdppo)2(ofib)","","","- C30 H26 F8 I2 O2 P2 -","- C30 H26 F8 I2 O2 P2 -","- C60 H52 F16 I4 O4 P4 -","2","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0514","0.0255","","","0.0463","0.0474","","","","","","0.849","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208558","9.6579","0.0016","10.1549","0.0018","10.6914","0.0016","106.576","0.002","107.444","0.003","110.66","0.004","841.4","0.2","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Eu N2 O9 -","- C14 H17 Eu N2 O9 -","- C28 H34 Eu2 N4 O18 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0287","0.028","","","0.0677","0.0685","","","","","","1.049","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208559","9.642","0.006","10.142","0.007","10.654","0.007","106.388","0.006","107.72","0.005","110.452","0.002","837.1","1","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N2 O9 Tb -","- C14 H13 N2 O9 Tb -","- C28 H26 N4 O18 Tb2 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0416","0.0363","","","0.0806","0.0841","","","","","","1.038","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208560","9.63","0.003","10.182","0.003","10.687","0.003","106.573","0.003","107.2","","110.615","0.002","843.4","0.4","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N2 O9 Sm -","- C14 H13 N2 O9 Sm -","- C28 H26 N4 O18 Sm2 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0332","0.0302","","","0.0766","0.0806","","","","","","1.003","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208561","21.6024","0.0008","21.6024","0.0008","11.3824","0.0008","90","","90","","90","","5311.8","0.5","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H11 Eu N O9.5 -","- C12 H8 Eu N O8.5 -","- C192 H128 Eu16 N16 O136 -","16","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0304","0.027","","","0.0593","0.0614","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208562","21.4229","0.0006","21.4229","0.0006","11.3047","0.0006","90","","90","","90","","5188.2","0.3","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H11 N O9.5 Tb -","- C12 H8 N O8.5 Tb -","- C192 H128 N16 O136 Tb16 -","16","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0315","0.027","","","0.0613","0.0641","","","","","","1.015","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208563","21.5765","0.0004","21.5765","0.0004","11.3469","0.0004","90","","90","","90","","5282.5","0.2","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H11 N O9.5 Sm -","- C12 H8 N O8.5 Sm -","- C192 H128 N16 O136 Sm16 -","16","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0204","0.0178","","","0.0482","0.0494","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208564","9.762","0.002","13.486","0.003","16.804","0.003","90","","100.04","0.03","90","","2178.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C104 H72 Cd4 N16 O16 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0928","0.0608","","","0.1115","0.123","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208565","9.857","0.002","14.011","0.003","16.884","0.003","90","","100.93","0.03","90","","2289.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cd N4 O4 -","- C27 H20 Cd N4 O4 -","- C108 H80 Cd4 N16 O16 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0882","0.067","","","0.1045","0.1135","","","","","","1.092","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208566","9.5702","0.0019","14.329","0.003","16.631","0.003","90","","98.75","0.03","90","","2254.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Cd N5 O4 -","- C26 H19 Cd N5 O4 -","- C104 H76 Cd4 N20 O16 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0482","0.0423","","","0.0926","0.0959","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208567","9.6647","0.0019","14.032","0.003","16.543","0.003","90","","98.79","0.03","90","","2217.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O5 -","- C26 H18 Cd N4 O5 -","- C104 H72 Cd4 N16 O20 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0407","0.0361","","","0.0863","0.0892","","","","","","1.036","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208568","9.967","0.002","12.179","0.002","15.859","0.003","96.41","0.03","96.96","0.03","104.19","0.03","1832.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cd2 N6 O16 -","- C34 H28 Cd2 N6 O16 -","- C68 H56 Cd4 N12 O32 -","2","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0593","0.0412","","","0.0918","0.104","","","","","","1.069","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208569","29.425","0.006","9.4342","0.0019","20.233","0.004","90","","123.71","0.03","90","","4672","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N4 O7 S -","- C26 H18 Cd N4 O7 S -","- C208 H144 Cd8 N32 O56 S8 -","8","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0473","0.0388","","","0.0858","0.0899","","","","","","1.103","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208570","15.771","0.002","14.711","0.002","8.3852","0.0012","90","","102.485","0.002","90","","1899.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Co2 N4 O10 -","- C30 H30 Co2 N4 O10 -","- C60 H60 Co4 N8 O20 -","2","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","A novel metal‒organic framework displaying reversibly shrinking and expanding pore modulation","CrystEngComm","2012","14","18","5757","","10.1039/c2ce25715g","","","0.71073","MoKα","","0.0418","0.0339","","","0.0931","0.0968","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208571","14.36","0.02","14.75","0.02","8.276","0.013","90","","99.746","0.019","90","","1728","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Co2 N4 O10 -","- C30 H30 Co2 N4 O10 -","- C60 H60 Co4 N8 O20 -","2","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","A novel metal‒organic framework displaying reversibly shrinking and expanding pore modulation","CrystEngComm","2012","14","18","5757","","10.1039/c2ce25715g","","","0.71073","MoKα","","0.1424","0.0804","","","0.1734","0.1915","","","","","","1.04","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208572","4.4592","0.0005","15.3668","0.0011","13.3336","0.0012","90","","90.602","0.008","90","","913.62","0.15","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C19 H17 N3 O7 -","- C19 H17 N3 O7 -","- C38 H34 N6 O14 -","2","1","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.5418","CuKα","","0.0433","0.0364","","","0.0787","0.0834","","","","","","1.024","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208573","8.3845","0.0003","8.9098","0.0004","13.2841","0.0007","83.81","0.004","80.223","0.004","84.612","0.003","969.37","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N3 O7 -","- C20 H17 N3 O7 -","- C40 H34 N6 O14 -","2","2","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.54178","CuKα","","0.0429","0.0378","","","0.1041","0.1161","","","","","","1.114","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208574","6.2151","0.0003","10.7634","0.0008","15.0123","0.0009","85.26","0.005","87.897","0.005","81.635","0.005","989.86","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O7 -","- C21 H21 N3 O7 -","- C42 H42 N6 O14 -","2","1","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.54184","CuKα","","0.0507","0.0398","","","0.0985","0.1077","","","","","","1.029","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208575","10.0239","0.0003","10.0797","0.0003","23.5726","0.0007","77.713","0.002","79.766","0.002","88.768","0.002","2289.82","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H31.5 N6 O26.5 P6 Zn5 -","- C30 H31.5 N6 O26.5 P6 Zn5 -","- C60 H63 N12 O53 P12 Zn10 -","2","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Sun, Gong-ming; Song, Yu-mei; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-zun; Feng, Xue-feng; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","[Zn5(PO4)(HPO4)4(Hbpy)2(bpy)][H2PO4]·H2O: a novel inorganic‒organic metal-phosphate framework showing an unprecedented (3,4)-connected (4·62)6(4·62·103)2(64·102)2 topology and the coexistence of various phosphates","CrystEngComm","2012","14","18","5730","","10.1039/c2ce25730k","","","0.71073","MoKα","","0.0576","0.0527","","","0.1118","0.1142","","","","","","1.149","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208576","15.158","0.005","12.517","0.004","7.44","0.002","90","","93.12","0.03","90","","1409.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Cd Cl2 N O6 -","- C9 H13 Cd Cl2 N O6 -","- C36 H52 Cd4 Cl8 N4 O24 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Zhang, Ming-Jian; Wang, Guan-E; Guo, Guo-Cong; Huang, Jin-Shun","Fluorescent cadmium complexes based on N-succinopyridine ligand: syntheses, structures and tunable photoluminescence by variation of excitation light","CrystEngComm","2012","14","19","6196","","10.1039/c2ce25755f","","","0.71073","MoKα","","0.0517","0.0413","","","0.1009","0.1071","","","","","","1","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208577","8.012","0.002","12.51","0.006","14.753","0.006","90","","90","","90","","1478.7","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 Br2 Cd N O6 -","- C9 H13 Br2 Cd N O6 -","- C36 H52 Br8 Cd4 N4 O24 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Zhang, Ming-Jian; Wang, Guan-E; Guo, Guo-Cong; Huang, Jin-Shun","Fluorescent cadmium complexes based on N-succinopyridine ligand: syntheses, structures and tunable photoluminescence by variation of excitation light","CrystEngComm","2012","14","19","6196","","10.1039/c2ce25755f","","","0.71073","MoKα","","0.0832","0.0605","","","0.124","0.1401","","","","","","1.026","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208578","7.763","0.002","12.938","0.005","17.221","0.007","72.48","0.02","87.107","0.016","86.201","0.017","1644.9","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","chlortalidone Form IV","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl) benzenesulfonamide chloroform solvate","","- C57 H45 Cl7 N8 O16 S4 -","- C57 H45 Cl7 N8 O16 S4 -","- C57 H45 Cl7 N8 O16 S4 -","1","0.5","","Martins, Felipe T.; de abreu, Polyana J.; Azarias, Lilian C.; Villis, Paulo C. M.; de Campos Melo, Ariane C.; Ellena, Javier; Doriguetto, Antônio C.","Form III-like conformation and Form I-like packing in a chloroform channel solvate of the diuretic drug chlortalidone","CrystEngComm","2012","14","19","6173","","10.1039/c2ce25766a","","","0.71073","MoKα","","0.1793","0.0659","","","0.1306","0.1536","","","","","","1.04","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208579","8.964","0.007","30.082","0.005","9.428","0.006","90","","115.94","0.05","90","","2286","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Perphenazine fumarate","","","- C23 H28 Cl N3 O3 S -","- C23 H28 Cl N3 O3 S -","- C92 H112 Cl4 N12 O12 S4 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Maggi, Lauretta; Bini, Marcella; Capsoni, Doretta; Ferrari, Stefania; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Marini, Amedeo","Perphenazine‒fumaric acid salts with improved solubility: preparation, physico-chemical characterization and in vitro dissolution","CrystEngComm","2012","14","18","6035","","10.1039/c2ce25846c","","","0.71073","MoKα","","0.1151","0.0844","","","0.2414","0.2664","","","","","","1.084","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208580","7.138","0.003","21.173","0.009","8.531","0.004","90","","98.715","0.007","90","","1274.4","1","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.0753","","","","0.2018","","","","","","1.002","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208581","18.328","0.005","6.5775","0.0014","22.617","0.006","90","","110.443","0.004","90","","2554.8","1.1","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C104 H128 N16 O32 -","8","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.048","","","","0.1794","","","","","","1","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208582","10.153","0.006","8.109","0.004","12.906","0.008","90","","110.708","0.006","90","","993.9","1","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.0419","","","","0.1316","","","","","","1.009","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208583","11.91","0.04","7.938","0.005","13.481","0.011","90","","107.32","0.04","90","","1217","4","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.0756","","","","0.213","","","","","","1.04","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208584","11.4332","0.0006","8.6325","0.0005","13.0666","0.0007","90","","109.37","0.001","90","","1216.64","0.12","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.71069","MoKα","","","0.0442","","","","0.1262","","","","","","1.203","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208585","10.5351","0.0016","8.1715","0.0013","14.384","0.003","90","","109.536","0.002","90","","1167","0.4","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 I N2 O2 -","- C11 H11 I N2 O2 -","- C44 H44 I4 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.71073","MoKα","","","0.0453","","","","0.1181","","","","","","1.06","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208586","7.6978","0.0016","17.25","0.004","14.089","0.003","90","","93.102","0.003","90","","1868.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O7 Zn -","- C19 H18 N2 O7 Zn -","- C76 H72 N8 O28 Zn4 -","4","1","","Liu, Bo; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Zhang, Yue; Shi, Qi-Zhen","Two solvent-dependent zinc(ii) supramolecular isomers: structure analysis, reversible and nonreversible crystal-to-crystal transformation, highly selective CO2 gas adsorption, and photoluminescence behaviors","CrystEngComm","2012","14","19","6246","","10.1039/c2ce26058a","","","0.71073","MoKα","","0.0593","0.0442","","","0.1211","0.132","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208587","12.8165","0.0015","8.8463","0.001","16.94","0.002","90","","102.31","0.002","90","","1876.5","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19.5 H15 N2 O5 Zn -","- C19.5 H12 N2 O5 Zn -","- C78 H48 N8 O20 Zn4 -","4","1","","Liu, Bo; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Zhang, Yue; Shi, Qi-Zhen","Two solvent-dependent zinc(ii) supramolecular isomers: structure analysis, reversible and nonreversible crystal-to-crystal transformation, highly selective CO2 gas adsorption, and photoluminescence behaviors","CrystEngComm","2012","14","19","6246","","10.1039/c2ce26058a","","","0.71073","MoKα","","0.1","0.0647","","","0.1399","0.1556","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208588","26.54","0.005","26.54","0.005","26.54","0.005","90","","90","","90","","18694","6","173","2","173","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H4 O5 Zn -","- C6 H2 O5 Zn -","- C288 H96 O240 Zn48 -","48","0.25","","Song, Xiaokai; Jeong, Seok; Kim, Dongwook; Lah, Myoung Soo","Transmetalations in two metal‒organic frameworks with different framework flexibilities: Kinetics and core‒shell heterostructure","CrystEngComm","2012","14","18","5753","","10.1039/c2ce26115d","","","0.71069","MoKα","","0.0649","0.0622","","","0.1882","0.1918","","","","","","1.125","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208589","8.61998","0.00016","9.10428","0.00016","9.1904","0.00017","91.9088","0.0007","116.676","0.0007","114.049","0.0007","567.491","0.019","114","1","114","2","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0232","0.0226","","","0.0603","0.0607","","","","","","1.072","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208590","8.62043","0.00016","9.1067","0.00016","9.19145","0.00017","91.9171","0.0007","116.674","0.0007","114.029","0.0007","567.849","0.019","120","1","120","2","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0232","0.0226","","","0.0614","0.0618","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208591","8.62156","0.00016","9.11162","0.00016","9.19374","0.00017","91.9362","0.0007","116.669","0.0007","113.98","0.0007","568.635","0.019","130","1","130","1","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0235","0.0227","","","0.0624","0.0631","","","","","","1.076","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208592","8.62366","0.00016","9.11968","0.00017","9.19716","0.00017","91.9817","0.0007","116.649","0.0007","113.906","0.0007","569.92","0.02","145","1","145","1","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0238","0.0226","","","0.0617","0.0627","","","","","","1.075","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208593","8.62499","0.00016","9.12773","0.00017","9.20087","0.00017","92.0011","0.0007","116.639","0.0007","113.862","0.0007","571.01","0.02","160","1","160","1","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.024","0.023","","","0.0623","0.0632","","","","","","1.056","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208594","8.62739","0.00016","9.13846","0.00017","9.20609","0.00017","92.0264","0.0007","116.621","0.0007","113.829","0.0007","572.4","0.02","180","1","180","2","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0246","0.0234","","","0.0631","0.0642","","","","","","1.046","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208595","8.6293","0.00016","9.15077","0.00017","9.21274","0.00017","92.0613","0.0007","116.601","0.0007","113.799","0.0007","573.91","0.02","200","1","200","1","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0254","0.0241","","","0.0651","0.0659","","","","","","1.056","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208596","8.66982","0.00018","9.21282","0.00019","9.26605","0.00019","92.6113","0.0007","116.65","0.0007","113.456","0.0007","583.72","0.02","338","1","338","2","","","","","","","","5","P -1","-P 1","2","morpholinium hydrogen chloranilete","","","- C10 H11 Cl2 N O5 -","- C10 H11 Cl2 N O5 -","- C20 H22 Cl4 N2 O10 -","2","1","","Tobu, Yasuhiro; Ikeda, Ryuichi; Nihei, Taka-Aki; Gotoh, Kazuma; Ishida, Hiroyuki; Asaji, Tetsuo","Temperature dependence of one-dimensional hydrogen bonding in morpholinium hydrogen chloranilate studied by (35)Cl nuclear quadrupole resonance and multi-temperature X-ray diffraction.","Physical chemistry chemical physics : PCCP","2012","14","35","12347","12354","10.1039/c2cp41241a","","","0.71075","MoKα","","0.0393","0.0364","","","0.0933","0.0984","","","","","","1.123","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208597","14.933","0.0016","14.933","0.0016","12.2771","0.0016","90","","90","","90","","2737.7","0.5","296","2","296","2","","","","","","","","4","I 41","I 4bw","80","","","","- C15 H13 N2 S -","- C15 H13 N2 S -","- C120 H104 N16 S8 -","8","1","","Rout, Saroj Kumar; Guin, Srimanta; Nath, Jayashree; Patel, Bhisma K.","An “on-water” exploration of CuO nanoparticle catalysed synthesis of 2-aminobenzothiazoles","Green Chemistry","2012","14","9","2491","","10.1039/c2gc35575b","","","0.71073","MoKα","","0.0641","0.0553","","","0.1214","0.1302","","","","","","1.019","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208598","10.13","0.002","8.1511","0.0015","13.6","0.002","90","","93.902","0.01","90","","1120.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 S2 -","- C11 H12 N2 S2 -","- C44 H48 N8 S8 -","4","1","","Rout, Saroj Kumar; Guin, Srimanta; Nath, Jayashree; Patel, Bhisma K.","An “on-water” exploration of CuO nanoparticle catalysed synthesis of 2-aminobenzothiazoles","Green Chemistry","2012","14","9","2491","","10.1039/c2gc35575b","","","0.71073","MoKα","","0.0469","0.0379","","","0.1007","0.1069","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208599","10.493","0.0002","14.6391","0.0004","9.0779","0.0002","90","","113.021","0.001","90","","1283.39","0.05","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","N-(4-methoxyphenyl)-N'-(piperidino)thiourea","N-(4-methoxyphenyl)-N'-(piperidino)thiourea","","- C13 H18 N2 O S -","- C13 H18 N2 O S -","- C52 H72 N8 O4 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.7107","MoKα","","0.0655","0.0441","","","0.1048","0.1198","","","","","","1.121","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208600","11.5813","0.0003","9.3856","0.0003","10.8926","0.0004","90","","101.21","0.03","90","","1161.41","0.14","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-phenyl-N'-(thiomorpholino)thiourea","N-phenyl-N'-(thiomorpholino)thiourea","","- C11 H14 N2 S2 -","- C11 H14 N2 S2 -","- C44 H56 N8 S8 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.0773","0.0472","","","0.0987","0.1109","","","","","","1.029","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208601","8.3457","0.0001","26.4224","0.0002","5.3071","0.0006","90","","90","","90","","1170.29","0.13","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","N,N'-bis(4-fluorophenyl)thiourea","N,N'-bis(4-fluorophenyl)thiourea","","- C13 H10 F2 N2 S -","- C13 H10 F2 N2 S -","- C52 H40 F8 N8 S4 -","4","0.5","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.0559","0.0364","","","0.0856","0.0924","","","","","","1.065","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208602","10.2252","0.0002","10.5172","0.0003","11.1949","0.0002","90","","90.788","0.002","90","","1203.79","0.05","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-(4-nitrophenyl)-N'-(morpholino)thiourea","N-(4-nitrophenyl)-N'-(morpholino)thiourea","","- C11 H13 N3 O3 S -","- C11 H13 N3 O3 S -","- C44 H52 N12 O12 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.0462","0.033","","","0.0957","0.098","","","","","","1.021","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208603","21.2213","0.001","8.0908","0.0004","28.6471","0.0015","90","","90","","90","","4918.6","0.4","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","N-(4-nitrophenyl)-N'-(morpholino)thiourea","N-(4-nitrophenyl)-N'-(morpholino)thiourea","","- C11 H13 N3 O3 S -","- C11 H13 N3 O3 S -","- C176 H208 N48 O48 S16 -","16","4","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","","","0.71073","MoKα","","0.1498","0.0471","","","0.0911","0.1249","","","","","","1.008","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208604","12.67213","0.00025","9.79731","0.00027","12.10093","0.00031","90","","115.223","0.0014","90","","1359.12","0.06","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C60 H64 N8 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0123","","0.571","","","","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208605","28.4936","0.0024","5.55569","0.00033","8.14303","0.00038","90","","90.7479","0.0043","90","","1288.94","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O S -","- C14 H14 N2 O S -","- C56 H56 N8 O4 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0202","","0.975","","","","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208606","14.50439","0.00092","13.62318","0.00093","7.14076","0.00026","90","","90","","90","","1410.99","0.14","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","","Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav","A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents","Green Chemistry","2012","14","9","2462","","10.1039/c2gc35799b","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0174","","0.732","","","","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208607","10.8539","0.0003","11.5075","0.0004","12.5661","0.0004","97.508","0.002","102.88","0.002","113.095","0.002","1365.14","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 Br F N O7 -","- C31 H25 Br F N O7 -","- C62 H50 Br2 F2 N2 O14 -","2","1","","Devi Bala, Balasubramanian; Michael Rajesh, Stephen; Perumal, Subbu","An eco-friendly sequential catalyst- and solvent-free four-component stereoselective synthesis of novel 1,4-pyranonaphthoquinones","Green Chemistry","2012","14","9","2484","","10.1039/c2gc35930h","","","0.71073","MoKα","","0.0773","0.0467","","","0.1145","0.1289","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208638","7.5319","0.0008","15.1775","0.0019","15.61","0.002","90","","98.919","0.003","90","","1762.9","0.4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N6 O5 -","- C17 H18 N6 O5 -","- C68 H72 N24 O20 -","4","1","","Yan, Yi; Zhao, Weiwen; Bhagavathy, Ganga Viswanathan; Faurie, Alexandre; Wang, Ruiyao; Petitjean, Anne","Double-layered alcohol: controlling the macroscopic organization of small molecules through the self-assembly of their receptors","CrystEngComm","2012","14","19","6118","6120","10.1039/c2ce25486g","","","0.71073","MoKα","","0.0681","0.0405","","","0.0933","0.1084","","","","","","1.038","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208639","17.5387","0.0003","13.3386","0.0002","7.8738","0.0001","90","","99.12","0.001","90","","1818.72","0.05","180","2","180","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C17.5 H15 N6 O7.25 -","- C17.5 H11 N6 O7.25 -","- C70 H44 N24 O29 -","4","0.5","","Yan, Yi; Zhao, Weiwen; Bhagavathy, Ganga Viswanathan; Faurie, Alexandre; Wang, Ruiyao; Petitjean, Anne","Double-layered alcohol: controlling the macroscopic organization of small molecules through the self-assembly of their receptors","CrystEngComm","2012","14","19","6118","6120","10.1039/c2ce25486g","","","0.71073","MoKα","","0.0537","0.0484","","","0.1498","0.1617","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208640","3.6687","0.0017","9.932","0.005","10.204","0.005","114.093","0.004","98.647","0.005","97.244","0.005","328.2","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cu N2 O8 -","- C14 H10 Cu N2 O8 -","- C14 H10 Cu N2 O8 -","1","0.5","","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao","Crystal engineering through charge-assisted hydrogen bonds, multiple C–H⋯O bonds and π–π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate)","CrystEngComm","2012","14","20","6400","","10.1039/c2ce06516a","","","0.71073","MoKα","","0.0281","0.0262","","","0.0697","0.0712","","","","","","1.141","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208641","3.642","0.0012","9.706","0.003","10.459","0.003","109.23","0.003","100.133","0.003","99.271","0.003","333.96","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N2 Na O8 -","- C14 H11 N2 Na O8 -","- C14 H11 N2 Na O8 -","1","0.5","","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao","Crystal engineering through charge-assisted hydrogen bonds, multiple C–H⋯O bonds and π–π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate)","CrystEngComm","2012","14","20","6400","","10.1039/c2ce06516a","","","0.71073","MoKα","","0.0438","0.0354","","","0.0865","0.0931","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208642","3.7117","0.0017","9.871","0.004","10.44","0.007","116.081","0.007","97.186","0.007","97.626","0.005","333.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao","Crystal engineering through charge-assisted hydrogen bonds, multiple C–H⋯O bonds and π–π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate)","CrystEngComm","2012","14","20","6400","","10.1039/c2ce06516a","","","0.71073","MoKα","","0.0649","0.0441","","","0.1147","0.1267","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208643","20.376","0.002","13.5114","0.0013","4.39","0.0004","90","","90","","90","","1208.6","0.2","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B7 Li5 O14 Rb2 -","- B7 Li5 O14 Rb2 -","- B28 Li20 O56 Rb8 -","4","0.5","","Yang, Yun; Pan, Shilie; Hou, Xueling; Dong, Xiaoyu; Su, Xin; Yang, Zhihua; Zhang, Min; Zhao, Wenwu; Chen, Zhaohui","Li5Rb2B7O14: a new congruently melting compound with two kinds of B‒O one-dimensional chains and short UV absorption edge","CrystEngComm","2012","14","20","6720","","10.1039/c2ce06742k","","","0.71073","MoKα","","0.0265","0.0248","","","0.0588","0.0592","","","","","","1.069","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208644","14.0268","0.0008","17.7897","0.001","5.0012","0.0003","90","","90","","90","","1247.96","0.12","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C30 H32 N4 O14 -","- C28 H20 N4 O13 -","- C56 H40 N8 O26 -","2","0.5","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0574","0.0567","","","0.1639","0.1649","","","","","","1.132","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208645","17.7028","0.0017","13.9075","0.0014","5.009","0.0005","90","","90","","90","","1233.2","0.2","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C22 H14 N4 O9 -","- C22 H14 N4 O9 -","- C44 H28 N8 O18 -","2","0.5","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0484","0.0469","","","0.1459","0.1477","","","","","","1.109","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208646","10.5968","0.0004","12.7228","0.0005","13.1435","0.0005","108.784","0.001","93.287","0.001","91.004","0.001","1673.67","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N7 O8 -","- C37 H27 N7 O8 -","- C74 H54 N14 O16 -","2","1","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0625","0.043","","","0.1043","0.1195","","","","","","1.036","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208647","25.1363","0.0018","14.3111","0.0011","15.8025","0.0012","90","","94.313","0.002","90","","5668.5","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N4 O10 S2 -","- C26 H24 N4 O10 S2 -","- C208 H192 N32 O80 S16 -","8","1","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0638","0.0457","","","0.1077","0.1221","","","","","","1.038","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208648","10.182","0.002","10.773","0.002","20.706","0.004","89.93","0.03","77.78","0.03","62.19","0.03","1950.9","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Mn2 N6 O12 -","- C38 H38 Mn2 N6 O12 -","- C76 H76 Mn4 N12 O24 -","2","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0703","0.0651","","","0.088","0.125","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208649","9.6544","0.0019","20.825","0.004","10.138","0.002","90","","117.47","0.03","90","","1808.5","0.8","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Co N3 O5 -","- C19 H17 Co N3 O5 -","- C76 H68 Co4 N12 O20 -","4","2","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.1267","0.0715","","","0.132","0.1519","","","","","","1.013","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208650","9.194","0.0018","10.167","0.002","10.905","0.002","114.8","0.03","97.6","0.03","102.1","0.03","876.5","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N3 O4 Zn -","- C19 H15 N3 O4 Zn -","- C38 H30 N6 O8 Zn2 -","2","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0482","0.0384","","","0.0905","0.109","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208651","12.055","0.002","13.112","0.003","16.94","0.003","90","","107.21","0.03","90","","2557.7","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 Cd2 N3 O8 -","- C27 H19 Cd2 N3 O8 -","- C108 H76 Cd8 N12 O32 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0542","0.0476","","","0.1302","0.1349","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208652","9.0247","0.0018","10.475","0.002","12.242","0.002","99.96","0.03","110.61","0.03","106.37","0.03","990.4","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Mn N3 O6 -","- C20 H21 Mn N3 O6 -","- C40 H42 Mn2 N6 O12 -","2","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0703","0.0454","","","0.1034","0.1408","","","","","","1.092","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208653","9.536","0.0012","17.804","0.002","11.453","0.0016","90","","90","","90","","1944.5","0.4","295","2","295","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C19 H19 Co N3 O6 -","- C19 H19 Co N3 O6 -","- C76 H76 Co4 N12 O24 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0595","0.0528","","","0.1404","0.1455","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208654","9.4225","0.0018","17.784","0.004","11.416","0.003","90","","90","","90","","1913","0.8","295","2","295","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C19 H19 N3 Ni O6 -","- C19 H19 N3 Ni O6 -","- C76 H76 N12 Ni4 O24 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0633","0.0567","","","0.1535","0.1589","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208655","18.662","0.004","20.461","0.004","9.4272","0.0019","90","","90","","90","","3599.7","1.3","295","2","295","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C38 H32 N6 O10 Zn3 -","- C38 H32 N6 O10 Zn3 -","- C152 H128 N24 O40 Zn12 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0781","0.049","","","0.1009","0.1173","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208656","12.129","0.0004","12.7912","0.0004","11.0668","0.0004","90","","90","","90","","1716.95","0.1","478","","478","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,4-diazabicyclo(2.2.2)octane hydrobromide","","- C6 H13 Br N2 -","- C6 H13 Br N2 -","- C48 H104 Br8 N16 -","8","2","","Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej","Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane","CrystEngComm","2012","14","20","6428","","10.1039/c2ce25359c","powder diffraction","","0.5385","synchrotron","","","","","","","","","5.9364","","","","","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208657","7.542","0.004","10.176","0.005","10.161","0.005","90","","90","","90","","779.8","0.7","296","2","296","2","400000","","","","","","","4","C m c 21","C 2c -2","36","dabcoHBr","1,4-diazabicyclo[2.2.2]octane hydrobromide","","- C6 H13 Br N2 -","- C6 H13 Br N2 -","- C24 H52 Br4 N8 -","4","0.5","","Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej","Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane","CrystEngComm","2012","14","20","6428","","10.1039/c2ce25359c","","","0.71073","MoKα","","0.0598","0.0449","","","0.0637","0.072","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208658","5.0482","0.001","9.422","0.0019","10.25","0.002","90","","90","","90","","487.53","0.17","295","2","295","2","","","430000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0619","0.0489","","","0.1242","0.1333","","","","","","1.126","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208659","5.0292","0.001","9.3989","0.0019","10.186","0.002","90","","90","","90","","481.48","0.17","295","2","295","2","","","630000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1224","0.1013","","","0.2764","0.3079","","","","","","1.157","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208660","4.9973","0.001","9.4478","0.0019","10.076","0.002","90","","90","","90","","475.72","0.16","295","2","295","2","","","720000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0375","0.0369","","","0.093","0.0935","","","","","","1.09","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208661","4.9467","0.001","9.3791","0.0019","9.834","0.002","90","","90","","90","","456.25","0.16","295","2","295","2","","","970000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0481","0.0451","","","0.1021","0.1045","","","","","","1.126","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208662","5.058","0.001","5.2221","0.001","16.054","0.003","90","","90","","90","","424.04","0.14","295","2","295","2","","","2140000","","","","","3","P 21 21 21","P 2ac 2ab","19","2-butanol","2-butanol","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1265","0.0805","","","0.2045","0.2255","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208663","5.0122","0.001","5.0885","0.001","16.044","0.003","90","","90","","90","","409.2","0.14","295","2","295","2","","","2330000","","","","","3","P 21 21 21","P 2ac 2ab","19","2-butanol","2-butanol","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1301","0.1118","","","0.2797","0.3005","","","","","","1.101","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208664","6.6041","0.0011","19.562","0.004","14.734","0.003","90","","91.627","0.007","90","","1902.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N4 O4 Rh2 -","- C14 H14 Cl2 N4 O4 Rh2 -","- C56 H56 Cl8 N16 O16 Rh8 -","4","1","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.031","0.0224","","","0.0437","0.0477","","","","","","1.072","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208665","6.6991","0.0009","19.587","0.003","14.9395","0.0019","90","","91.815","0.005","90","","1959.3","0.5","260","2","260","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N4 O4 Rh2 -","- C14 H14 Cl2 N4 O4 Rh2 -","- C56 H56 Cl8 N16 O16 Rh8 -","4","1","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0389","0.0263","","","0.0507","0.058","","","","","","1.081","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208666","6.5871","0.0001","20.6666","0.0005","15.7822","0.0004","90","","100.013","0.001","90","","2115.75","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl2 N4 O4 Rh2 -","- C16 H18 Cl2 N4 O4 Rh2 -","- C64 H72 Cl8 N16 O16 Rh8 -","4","0.5","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0284","0.0238","","","0.0556","0.0579","","","","","","1.076","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208667","6.6678","0.001","20.686","0.004","15.926","0.003","90","","100.359","0.009","90","","2160.9","0.7","260","2","260","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl2 N4 O4 Rh2 -","- C16 H18 Cl2 N4 O4 Rh2 -","- C64 H72 Cl8 N16 O16 Rh8 -","4","0.5","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0353","0.0241","","","0.0588","0.0649","","","","","","1.05","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208668","6.5663","0.0005","20.5989","0.0018","15.7624","0.0012","90","","100.392","0.004","90","","2097","0.3","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 N4 O4 Rh2 -","- C16 H18 Cl2 N4 O4 Rh2 -","- C64 H72 Cl8 N16 O16 Rh8 -","4","1","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0443","0.0375","","","0.0912","0.0942","","","","","","1.159","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208669","13.3579","0.0005","9.9265","0.0004","18.76","0.0007","90","","106.731","0.002","90","","2382.22","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 -","- C12 H18 N4 -","- C96 H144 N32 -","8","2","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0528","0.0389","","","0.0957","0.1041","","","","","","1.02","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208670","9.27","0.002","6.7304","0.0013","9.71","0.004","90","","107.6","0.04","90","","577.5","0.3","296","2","296","2","1200000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium bromide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium bromide dimethanol cocrystal","","- C9 H23 Br N2 O2 -","- C9 H23 Br N2 O2 -","- C18 H46 Br2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0984","0.0643","","","0.1434","0.1599","","","","","","1.167","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208671","9.194","0.004","6.653","0.003","9.643","0.009","90","","107.72","0.07","90","","561.9","0.7","296","2","296","2","1700000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium bromide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium bromide dimethanol cocrystal","","- C9 H23 Br N2 O2 -","- C9 H23 Br N2 O2 -","- C18 H46 Br2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.1801","0.1125","","","0.2178","0.2507","","","","","","1.137","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208672","9.059","0.003","6.7868","0.0017","10.543","0.004","90","","108.28","0.03","90","","615.5","0.4","296","2","296","2","1000000","","","","","","","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","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0277","0.0258","","","0.0609","0.0617","","","","","","1.178","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208673","9.04","0.003","6.759","0.0009","10.516","0.003","90","","108.45","0.03","90","","609.5","0.3","296","2","296","2","1200000","","","","","","","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","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0486","0.0447","","","0.1544","0.1566","","","","","","1.679","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208674","8.879","0.003","6.6161","0.0009","10.328","0.003","90","","108.81","0.03","90","","574.3","0.3","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","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.059","0.055","","","0.0882","0.0884","","","","","","1.394","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208675","5.2238","0.0006","22.95","0.003","7.402","0.0008","90","","107.64","0.009","90","","845.67","0.18","273","","273","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4-BP BF4","4-Bromopyridinium tetrafluoroborate","","- C5 H5 B Br F4 N -","- C5 H5 B Br F4 N -","- C20 H20 B4 Br4 F16 N4 -","4","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Twamley, Brendan; Willett, Roger D.","Effect of intermolecular interactions on the molecular structure; theoretical study and crystal structures of 4-bromopyridinium tetrafluoroborate and diaqua(3-bromopyridine)difluorocopper(ii)","CrystEngComm","2012","14","20","6761","","10.1039/c2ce25433f","","","0.71073","MoKα","","0.087","0.0453","","","0.0995","0.1144","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208676","7.7096","0.0014","6.7687","0.0012","8.5459","0.0015","90","","105.241","0.004","90","","430.27","0.13","89","2","89","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","(3-Brpy)CuF2.2H2O","","","- C5 H8 Br Cu F2 N O2 -","- C5 H8 Br Cu F2 N O2 -","- C10 H16 Br2 Cu2 F4 N2 O4 -","2","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Twamley, Brendan; Willett, Roger D.","Effect of intermolecular interactions on the molecular structure; theoretical study and crystal structures of 4-bromopyridinium tetrafluoroborate and diaqua(3-bromopyridine)difluorocopper(ii)","CrystEngComm","2012","14","20","6761","","10.1039/c2ce25433f","","","0.71073","MoKα","","0.0235","0.0224","","","0.0615","0.0648","","","","","","1.152","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208677","19.875","0.006","39.36","0.03","4.398","0.004","90","","90","","90","","3440","4","296","2","296","2","80000","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","0.71073","MoKα","","0.1145","0.0994","","","0.2218","0.2367","","","","","","1.291","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208678","19.8523","0.0003","39.3437","0.0007","4.4697","0.0001","90","","90","","90","","3491.12","0.11","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","1.54178","CuKα","","0.0591","0.0579","","","0.1695","0.1714","","","","","","1.11","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208679","19.659","0.009","38.94","0.04","4.07","0.005","90","","90","","90","","3116","5","293","2","296","2","1200000","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","0.71073","MoKα","","0.1802","0.1266","","","0.2628","0.2861","","","","","","1.224","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208680","6.0152","0.0011","12.442","0.002","29.838","0.006","90","","90","","90","","2233.1","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C84 H112 N16 O24 -","4","1","","Konar, Anita Dutt","mABA inserted supramolecular triple helix formation in the solid state in synthetic tripeptides containing β-cyanoalanine and Aib as corner residues","CrystEngComm","2012","14","20","6689","","10.1039/c2ce25527h","","","0.71073","MoKα","","0.1045","0.0559","","","0.1145","0.1322","","","","","","0.799","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208681","6.037","0.002","11.169","0.004","16.091","0.006","90","","95.612","0.004","90","","1079.8","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N3 O7 -","- C20 H29 N3 O7 -","- C40 H58 N6 O14 -","2","1","","Konar, Anita Dutt","mABA inserted supramolecular triple helix formation in the solid state in synthetic tripeptides containing β-cyanoalanine and Aib as corner residues","CrystEngComm","2012","14","20","6689","","10.1039/c2ce25527h","","","0.71073","MoKα","","0.0501","0.046","","","0.1272","0.1451","","","","","","1.108","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208682","18.6069","0.0011","19.1286","0.0009","24.0604","0.0014","91.308","0.002","91.075","0.003","94.282","0.004","8535.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(bpy)(H2O))8(W(CN)8)6). 11.8 H2O","{Ni[Ni(bpy)(H2O)]8[W(CN)8]6}. 11.8 H2O","","- C128 H103.6 N64 Ni9 O19.8 W6 -","- C128 H64 N64 Ni9 O19.8 W6 -","- C256 H128 N128 Ni18 O39.6 W12 -","2","1","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.0803","0.0471","","","0.1016","0.1144","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208683","18.4747","0.0011","18.5055","0.0012","27.732","0.002","84.222","0.003","85.211","0.004","87.182","0.003","9392.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(bpy)(solv))8(W(CN)8)6).11H2O","{Ni[Ni(bpy)(solv)]8[W(CN)8]6}.11H2O","","- C134.4 H114.8 N64 Ni9 O19 W6 -","- C134.4 H80 N64 Ni9 O19 W6 -","- C268.8 H160 N128 Ni18 O38 W12 -","2","1","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.1432","0.1125","","","0.2804","0.304","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208684","19.195","0.005","19.843","0.005","20.321","0.005","93.918","0.005","111.191","0.005","115.588","0.005","6273","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(4,4'dmbpy)(H2O))8(W(CN)8)6)*18H2O","{Ni[Ni(4,4'dmbpy)(H2O)]8[W(CN)8]6}*18H2O","","- C152 H116 N64 Ni9 O12 W6 -","- C152 H116 N64 Ni9 O12 W6 -","- C152 H116 N64 Ni9 O12 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71069","MoKα","","0.0652","0.0421","","","0.1057","0.1176","","","","","","1.028","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208685","18.9503","0.0002","19.5178","0.0002","20.1197","0.0002","93.128","0.001","112.145","0.001","115.236","0.001","6025.51","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(4,4'dmbpy)(H2O))8(W(CN)8)6)*18H2O","{Ni[Ni(4,4'dmbpy)(H2O)]8[W(CN)8]6}*18H2O","","- C160 H140 N66 Ni9 O24 W6 -","- C160 H140 N66 Ni9 O24 W6 -","- C160 H140 N66 Ni9 O24 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.0696","0.0537","","","0.1443","0.1594","","","","","","1.071","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208686","19.12","0.005","19.474","0.005","19.769","0.005","100.32","0.005","105.23","0.005","118.465","0.005","5828","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(5,5'dmbpy)(H2O))8(W(CN)8)6)*8H2O","{Ni[Ni(5,5'dmbpy)(H2O)]8[W(CN)8]6}*8H2O","","- C148 H96 N64 Ni9 O18 W6 -","- C148 H96 N64 Ni9 O18 W6 -","- C148 H96 N64 Ni9 O18 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71069","MoKα","","0.1326","0.0684","","","0.1445","0.177","","","","","","1.054","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208687","19.899","0.005","20.113","0.005","31.475","0.005","89.305","0.005","90.024","0.005","73.132","0.005","12054","5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(5,5'dmbpy)(H2O))8(W(CN)8)6)*8H2O","{Ni[Ni(5,5'dmbpy)(H2O)]8[W(CN)8]6}*8H2O","","- C148 H89 N65 Ni9 O12 W6 -","- C148 H89 N65 Ni9 O12 W6 -","- C296 H178 N130 Ni18 O24 W12 -","2","1","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71069","MoKα","","0.1964","0.0955","","","0.2047","0.2551","","","","","","1.048","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208688","20.2904","0.0002","20.3359","0.0002","21.3903","0.0003","105.6","","111.614","0.001","98.081","0.001","7615.02","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(4,4'dtbpy)(H2O))8(W(CN)8)6)*17H2O","{Ni[Ni(4,4'dtbpy)(H2O)]8[W(CN)8]6}*17H2O","","- C208 H232 N64 Ni9 O23 W6 -","- C208 H232 N64 Ni9 O23 W6 -","- C208 H232 N64 Ni9 O23 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.1047","0.054","","","0.123","0.1534","","","","","","1.067","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208689","11.582","0.002","15.457","0.003","14.73","0.003","90","","92.69","0.03","90","","2634.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl4 Hg2 N6 -","- C22 H18 Cl4 Hg2 N6 -","- C88 H72 Cl16 Hg8 N24 -","4","1","","Notash, Behrouz; Safari, Nasser; Khavasi, Hamid Reza","Anion-controlled structural motif in one-dimensional coordination networks via cooperative weak noncovalent interactions","CrystEngComm","2012","14","20","6788","","10.1039/c2ce25554e","","","0.71073","MoKα","","0.1114","0.0609","","","0.1001","0.1133","","","","","","1.155","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208690","8.2037","0.0016","11.926","0.002","14.227","0.003","88.07","0.03","82.43","0.03","87.89","0.03","1378.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br4 Hg2 N6 -","- C22 H18 Br4 Hg2 N6 -","- C44 H36 Br8 Hg4 N12 -","2","1","","Notash, Behrouz; Safari, Nasser; Khavasi, Hamid Reza","Anion-controlled structural motif in one-dimensional coordination networks via cooperative weak noncovalent interactions","CrystEngComm","2012","14","20","6788","","10.1039/c2ce25554e","","","0.71073","MoKα","","0.1123","0.0748","","","0.1744","0.1947","","","","","","1.127","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208691","8.6931","0.0017","12.727","0.003","13.158","0.003","90","","93.54","0.03","90","","1453","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Hg I2 N3 -","- C11 H9 Hg I2 N3 -","- C44 H36 Hg4 I8 N12 -","4","1","","Notash, Behrouz; Safari, Nasser; Khavasi, Hamid Reza","Anion-controlled structural motif in one-dimensional coordination networks via cooperative weak noncovalent interactions","CrystEngComm","2012","14","20","6788","","10.1039/c2ce25554e","","","0.71073","MoKα","","0.1007","0.0793","","","0.1845","0.1978","","","","","","1.172","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208692","6.8912","0.0014","12.082","0.002","13.372","0.003","109.97","0.03","100.51","0.03","103.88","0.03","972.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C42 H34 Na2 O12 -","2","1","","Butterhof, Christian; Bärwinkel, Kilian; Senker, Jürgen; Breu, Josef","Polymorphism in co-crystals: a metastable form of the ionic co-crystal 2 HBz·1 NaBz crystallised by flash evaporation","CrystEngComm","2012","14","20","6744","","10.1039/c2ce25562f","","","0.71073","MoKα","","0.1643","0.0461","","","0.092","0.1309","","","","","","0.765","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208693","5.8402","0.0012","14.499","0.003","22.136","0.004","90","","97.18","0.03","90","","1859.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Butterhof, Christian; Bärwinkel, Kilian; Senker, Jürgen; Breu, Josef","Polymorphism in co-crystals: a metastable form of the ionic co-crystal 2 HBz·1 NaBz crystallised by flash evaporation","CrystEngComm","2012","14","20","6744","","10.1039/c2ce25562f","","","0.71073","MoKα","","0.0723","0.0411","","","0.0983","0.1173","","","","","","0.949","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208694","11.7485","0.001","11.7636","0.0012","16.8054","0.0018","73.176","0.005","89.985","0.007","89.854","0.007","2223.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H45 N2 O18.5 S4 U -","- C36 H44 N2 O18.5 S4 U -","- C72 H88 N4 O37 S8 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.102","0.0899","","","0.2138","0.2207","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208695","11.6416","0.0011","32.87","0.003","12.0455","0.001","90","","90.578","0.006","90","","4609.1","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H100 Ce2 O64 S8 U -","- C56 H40 Ce2 O64 S8 U -","- C112 H80 Ce4 O128 S16 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.0899","0.0756","","","0.1803","0.1886","","","","","","1.029","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208696","11.9431","0.0002","19.8987","0.0004","20.4792","0.0004","71.2552","0.0009","78.0759","0.001","77.8533","0.0008","4454.52","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H97 Eu2 O62.5 S8 U -","- C56 H46 Eu2 O62.5 S8 U -","- C112 H92 Eu4 O125 S16 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.0737","0.0594","","","0.1518","0.1587","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208697","9.7419","0.0006","18.752","0.0008","32.0657","0.0015","90","","96.542","0.005","90","","5819.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52.5 Co2 N8 O16.25 -","- C50 H42 Co2 N8 O16.25 -","- C200 H168 Co8 N32 O65 -","4","1","","Guo, Jiao; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Two novel 3D metal‒organic frameworks based on two tetrahedral ligands: syntheses, structures, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","20","6609","","10.1039/c2ce25588j","","","0.71073","MoKα","","0.1606","0.081","","","0.1685","0.1965","","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208698","9.8633","0.0003","16.4409","0.0006","18.2187","0.0006","90","","94.197","0.003","90","","2946.45","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C103 H102 Cd4 N17 O29 -","- C103 H80 Cd4 N17 O29 -","- C103 H80 Cd4 N17 O29 -","1","0.25","","Guo, Jiao; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Two novel 3D metal‒organic frameworks based on two tetrahedral ligands: syntheses, structures, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","20","6609","","10.1039/c2ce25588j","","","0.71073","MoKα","","0.0774","0.0595","","","0.1613","0.1755","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208699","8.4363","0.0004","5.3754","0.0002","25.8792","0.0012","90","","90","","90","","1173.58","0.09","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H8 Li2 O5 -","- C14 H8 Li2 O5 -","- C56 H32 Li8 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0618","0.036","","","0.0819","0.0884","","","","","","1.018","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208700","29.1055","0.0012","5.7959","0.0002","7.697","0.0003","90","","92.448","0.002","90","","1297.24","0.09","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H10 Na2 O6 -","- C14 H10 Na2 O6 -","- C56 H40 Na8 O24 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0391","0.0321","","","0.0705","0.0748","","","","","","1.052","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208701","6.0308","0.0002","28.4845","0.0011","7.0345","0.0003","90","","90","","90","","1208.42","0.08","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 K O5 -","- C14 H9 K O5 -","- C56 H36 K4 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0461","0.0343","","","0.0899","0.0946","","","","","","1.041","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208702","6.3248","0.0002","28.4469","0.0009","7.0194","0.0002","90","","90","","90","","1262.94","0.07","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 O5 Rb -","- C14 H9 O5 Rb -","- C56 H36 O20 Rb4 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0431","0.0273","","","0.0679","0.0733","","","","","","1.075","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208703","6.7477","0.0001","28.4272","0.0003","7.0986","0.0001","90","","90","","90","","1361.64","0.03","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 Cs O5 -","- C14 H9 Cs O5 -","- C56 H36 Cs4 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0373","0.0291","","","0.0727","0.0762","","","","","","1.015","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208704","14.0657","0.0008","10.0353","0.0006","10.2031","0.0006","90","","105.474","0.003","90","","1388","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Mg O7 -","- C14 H12 Mg O7 -","- C56 H48 Mg4 O28 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.1185","0.0777","","","0.2269","0.2446","","","","","","1.093","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208705","5.633","0.0001","28.9079","0.0005","7.8516","0.0001","90","","95.517","0.001","90","","1272.62","0.04","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Ca O6 -","- C14 H10 Ca O6 -","- C56 H40 Ca4 O24 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0288","0.0258","","","0.0709","0.0731","","","","","","1.044","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208706","29.3128","0.0011","6.3013","0.0002","7.0793","0.0003","90","","90","","90","","1307.61","0.08","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 O6 Sr -","- C14 H10 O6 Sr -","- C56 H40 O24 Sr4 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0439","0.0342","","","0.0705","0.0723","","","","","","1.059","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208707","18.5081","0.0005","18.5081","0.0005","13.2016","0.0009","90","","90","","90","","4522.2","0.4","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H32 Cd Cu2 N4 O8 -","- C48 H32 Cd Cu2 N4 O8 -","- C192 H128 Cd4 Cu8 N16 O32 -","4","0.25","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Deliberate design of a neutral heterometallic organic framework containing a record 25-fold interpenetrating diamondoid network","CrystEngComm","2012","14","20","6359","","10.1039/c2ce25605c","","","0.71073","MoKα","","0.0662","0.0513","","","0.1596","0.1712","","","","","","1.089","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208708","12.5886","0.0006","12.5886","0.0006","9.218","0.0004","90","","90","","120","","1265.09","0.1","93.1","","93.1","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C21 H23.5 Cr0.5 Fe N10 O6.5 -","- C21 H22.5 Cr0.5 Fe N10 O6.495 -","- C42 H45 Cr Fe2 N20 O12.99 -","2","0.333333","","Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide","Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)","CrystEngComm","2012","14","20","6377","","10.1039/c2ce25612f","","","0.71075","MoKα","","","0.0616","","","","0.1822","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208709","12.6333","0.0005","12.6333","0.0005","9.258","0.0004","90","","90","","120","","1279.62","0.09","293","","293","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C21 H23.5 Cr0.5 Fe N10 O6.5 -","- C21 H22.5 Cr0.5 Fe N10 O6.495 -","- C42 H45 Cr Fe2 N20 O12.99 -","2","0.333333","","Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide","Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)","CrystEngComm","2012","14","20","6377","","10.1039/c2ce25612f","","","0.71075","MoKα","","","0.0618","","","","0.1905","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208710","5.8719","0.0012","8.9749","0.0018","9.2191","0.0018","78.23","0.03","78.19","0.03","88.73","0.03","465.46","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cd Cl2 N4 S2 -","- C12 H22 Cd Cl2 N4 S2 -","- C12 H22 Cd Cl2 N4 S2 -","1","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0343","0.0315","","","0.078","0.0918","","","","","","1.137","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208711","21.4812","0.0008","5.8879","0.0001","27.0285","0.0008","90","","98.74","0.003","90","","3378.85","0.17","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H28 Br Cd3 N9 S7 -","- C20 H28 Br Cd3 N9 S7 -","- C80 H112 Br4 Cd12 N36 S28 -","4","1","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0427","0.0365","","","0.0932","0.0965","","","","","","1.038","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208712","11.893","0.002","18.214","0.004","7.3355","0.0015","90","","98.32","0.03","90","","1572.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 Cd N4 S2 -","- C12 H10 Br2 Cd N4 S2 -","- C48 H40 Br8 Cd4 N16 S8 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0306","0.0284","","","0.0689","0.0699","","","","","","1.164","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208713","5.8239","0.0012","9.2118","0.0018","11.001","0.002","105.22","0.03","104.66","0.03","102.32","0.03","525.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cd N6 S4 -","- C16 H14 Cd N6 S4 -","- C16 H14 Cd N6 S4 -","1","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0217","0.0203","","","0.0501","0.0506","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208714","7.6572","0.0015","18.782","0.004","8.4532","0.0017","90","","90","","90","","1215.7","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H16 Cd Cl4 N2 -","- C6 H16 Cd Cl4 N2 -","- C24 H64 Cd4 Cl16 N8 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0168","0.0158","","","0.0378","0.0381","","","","","","1.179","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208715","25.409","0.005","5.9049","0.0012","14.194","0.003","90","","107.94","0.03","90","","2026.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cd N6 S4 -","- C14 H22 Cd N6 S4 -","- C56 H88 Cd4 N24 S16 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0318","0.0259","","","0.0566","0.0585","","","","","","1.123","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208716","18.232","0.003","10.8471","0.0017","18.894","0.003","90","","108.711","0.003","90","","3539.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 N6 O10 Zn2 -","- C33 H38 N6 O10 Zn2 -","- C132 H152 N24 O40 Zn8 -","4","1","","Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Wang, Zhan-Hui; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and fluorescence of two coordination complexes of Zn(ii) and 1,3-bis(2-methylimidazolyl)propane: solvent effect","CrystEngComm","2012","14","20","6726","","10.1039/c2ce25673h","","","0.71073","MoKα","","0.0671","0.0567","","","0.1475","0.1567","","","","","","0.914","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208717","9.695","0.002","18.427","0.004","12.52","0.003","90","","106.434","0.004","90","","2145.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N4 O7 Zn -","- C19 H25 N4 O7 Zn -","- C76 H100 N16 O28 Zn4 -","4","1","","Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Wang, Zhan-Hui; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and fluorescence of two coordination complexes of Zn(ii) and 1,3-bis(2-methylimidazolyl)propane: solvent effect","CrystEngComm","2012","14","20","6726","","10.1039/c2ce25673h","","","0.71073","MoKα","","0.0725","0.0571","","","0.1441","0.1547","","","","","","1.023","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208718","7.1354","0.0004","30.7781","0.0016","9.8145","0.0005","90","","102.696","0.002","90","","2102.7","0.19","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 N5 O6 W -","- C17 H30 N5 O6 W -","- C68 H120 N20 O24 W4 -","4","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0222","0.0214","","","0.0445","0.0447","","","","","","1.321","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208719","13.513","0.001","15.5802","0.0011","20.9805","0.0016","90","","90","","90","","4417.1","0.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 N4 O6 W -","- C18 H30 N4 O6 W -","- C144 H240 N32 O48 W8 -","8","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0421","0.0293","","","0.0785","0.0912","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208720","7.0702","0.0002","23.5538","0.0007","13.0177","0.0004","90","","98.18","0.001","90","","2145.78","0.11","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N4 O6 W -","- C18 H30 N4 O6 W -","- C72 H120 N16 O24 W4 -","4","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0256","0.024","","","0.0629","0.0639","","","","","","1.144","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208721","11.4027","0.0003","23.4885","0.0006","22.6238","0.0005","90","","90","","90","","6059.4","0.3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C64 H60 N8 Ni O3 -","- C64 H60 N8 Ni O3 -","- C256 H240 N32 Ni4 O12 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0642","0.0489","","","0.1211","0.125","","","","","","0.989","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208722","11.6264","0.0002","24.3482","0.0003","22.2375","0.0003","90","","90","","90","","6295.03","0.16","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C68 H68 Cl4 N8 Ni2 O2 -","- C68 H68 Cl4 N8 Ni2 O2 -","- C272 H272 Cl16 N32 Ni8 O8 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0452","0.0372","","","0.0908","0.093","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208723","11.4808","0.0002","23.4663","0.0004","22.5673","0.0004","90","","90","","90","","6079.9","0.18","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C64 H62.8 Br2 N8 Ni O3.4 -","- C64 H56 Br2 N8 Ni O3.4 -","- C256 H224 Br8 N32 Ni4 O13.6 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0933","0.078","","","0.2007","0.2135","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208724","11.1951","0.0002","29.4448","0.0004","18.0834","0.0003","90","","96.759","0.002","90","","5919.54","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.8 H67.2 N10 Ni O8.8 -","- C66.8 H67.2 N10 Ni O8.8 -","- C267.2 H268.8 N40 Ni4 O35.2 -","4","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0937","0.049","","","0.1029","0.1101","","","","","","0.927","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208725","23.7034","0.0005","11.7726","0.0003","22.0772","0.0007","90","","90","","90","","6160.7","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H62 Cl2 N8 Ni O9 -","- C67 H62 Cl N8 Ni O5 -","- C268 H248 Cl4 N32 Ni4 O20 -","4","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","1.54184","CuKα","","0.0624","0.0573","","","0.1542","0.1606","","","","","","1.024","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208726","15.7526","0.0005","19.9434","0.0007","19.9541","0.0008","116.937","0.004","103.576","0.003","93.729","0.003","5325.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H98.7 Cl6 N16 Ni3 O1.35 -","- C120 H96 Cl6 N16 Ni3 O1.35 -","- C240 H192 Cl12 N32 Ni6 O2.7 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0986","0.0454","","","0.0784","0.0863","","","","","","0.94","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208727","12.2832","0.0004","15.2035","0.0006","19.4459","0.0006","69.188","0.003","82.117","0.002","68.905","0.003","3166.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69.4 H62.1 Br2 N12.7 Ni -","- C69.4 H62.1 Br2 N12.7 Ni -","- C138.8 H124.2 Br4 N25.4 Ni2 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0892","0.0443","","","0.0858","0.0903","","","","","","0.921","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208728","23.8271","0.0007","11.3058","0.0004","23.1922","0.0008","90","","90","","90","","6247.6","0.4","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C66 H61.6 I2 N8 Ni O2.8 -","- C66 H60 I2 N8 Ni O2.8 -","- C264 H240 I8 N32 Ni4 O11.2 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0463","0.0423","","","0.1158","0.1183","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208729","11.4752","0.0003","22.951","0.0005","22.8593","0.0005","90","","90","","90","","6020.4","0.2","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C64 H64 N10 Ni O10 -","- C64 H60 N10 Ni O10 -","- C256 H240 N40 Ni4 O40 -","4","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0582","0.0434","","","0.1067","0.1114","","","","","","0.996","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208730","13.1954","0.0007","23.8866","0.001","11.2041","0.0007","90","","114.105","0.007","90","","3223.5","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C68.4 H64.8 Cl2 N8 Ni O10.8 -","- C68.4 H64.8 Cl2 N8 Ni O10.8 -","- C136.8 H129.6 Cl4 N16 Ni2 O21.6 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0955","0.0875","","","0.2353","0.2476","","","","","","1.1","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208731","17.4689","0.0004","8.7125","0.0002","18.7322","0.0004","90","","90","","90","","2851","0.11","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H28 Cl2 N4 Ni -","- C32 H28 Cl2 N4 Ni -","- C128 H112 Cl8 N16 Ni4 -","4","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0665","0.0328","","","0.0608","0.0653","","","","","","0.846","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208732","28.6711","0.0003","28.6711","0.0003","14.0797","0.0002","90","","90","","90","","11574","0.2","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Br2 N4 Ni -","- C32 H28 Br2 N4 Ni -","- C512 H448 Br32 N64 Ni16 -","16","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0334","0.0251","","","0.0454","0.0461","","","","","","0.902","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208733","6.0809","0.0003","7.3878","0.0005","16.0562","0.001","100.554","0.006","98.892","0.005","94.548","0.005","696.28","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N6 Ni O4 -","- C32 H28 N6 Ni O4 -","- C32 H28 N6 Ni O4 -","1","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","1.54184","CuKα","","0.0742","0.0725","","","0.1905","0.191","","","","","","1.065","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208734","9.995","0.002","11.41","0.003","11.572","0.003","87.877","0.004","88.749","0.004","83.876","0.003","1311.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cd N4 O4 -","- C30 H26 Cd N4 O4 -","- C60 H52 Cd2 N8 O8 -","2","1","","Sun, Di; Yan, Zhi-Hao; Deng, Yong-Kai; Yuan, Shuai; Wang, Lei; Sun, Dao-Feng","Two novel entangled metal‒organic networks constructed from 4,4′-bis(2-methylimidazol-1-ylmethyl)biphenyl and dicarboxylates: From polycatenated 2D + 2D →3D framework to polyrotaxane-like 2D + 2D →2D layer","CrystEngComm","2012","14","23","7856","","10.1039/c2ce25706h","","","0.71073","MoKα","","0.0489","0.0382","","","0.0961","0.1043","","","","","","1.032","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208735","10.237","0.012","11.827","0.014","14.256","0.016","91.67","0.02","109.35","0.02","103.26","0.02","1575","3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Br4 N4 O4 Zn -","- C30 H22 Br4 N4 O4 Zn -","- C60 H44 Br8 N8 O8 Zn2 -","2","1","","Sun, Di; Yan, Zhi-Hao; Deng, Yong-Kai; Yuan, Shuai; Wang, Lei; Sun, Dao-Feng","Two novel entangled metal‒organic networks constructed from 4,4′-bis(2-methylimidazol-1-ylmethyl)biphenyl and dicarboxylates: From polycatenated 2D + 2D →3D framework to polyrotaxane-like 2D + 2D →2D layer","CrystEngComm","2012","14","23","7856","","10.1039/c2ce25706h","","","0.71073","MoKα","","0.1194","0.0532","","","0.1195","0.1523","","","","","","0.887","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208736","16.4467","0.0011","7.9431","0.0004","26.0004","0.0019","90","","90","","90","","3396.6","0.4","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C19 H23 N2 S2 -","- C19 H23 N2 S2 -","- C152 H184 N16 S16 -","8","","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.1661","0.1384","","","0.3609","0.3854","","","","","","1.768","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208737","8.9908","0.0002","8.1469","0.0002","22.5487","0.0006","90","","90.993","0.001","90","","1651.38","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 S2 -","- C18 H22 N2 S2 -","- C72 H88 N8 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0648","0.0423","","","0.0939","0.103","","","","","","1.031","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208738","8.6109","0.001","8.8251","0.001","22.832","0.003","90","","91.635","0.002","90","","1734.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N2 O0 S2 -","- C18 H23 N2 S2 -","- C72 H92 N8 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.1434","0.0894","","","0.2616","0.3191","","","","","","1.059","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208739","10.4455","0.0004","16.5989","0.0007","11.7361","0.0005","90","","92.14","0.002","90","","2033.43","0.14","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Ag Cl F0 N2 O4 P0 S2 -","- C18 H22 Ag Cl N2 O4 S2 -","- C72 H88 Ag4 Cl4 N8 O16 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0826","0.0643","","","0.176","0.1881","","","","","","1.028","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208740","22.717","0.003","8.7709","0.001","20.543","0.002","90","","91.765","0.002","90","","4091.2","0.8","173","2","173","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C18 H22 Ag Cl N2 O4 S2 -","- C18 H22 Ag Cl N2 O4 S2 -","- C144 H176 Ag8 Cl8 N16 O32 S16 -","8","2","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0744","0.0455","","","0.1029","0.1188","","","","","","1.025","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208741","13.4295","0.0007","17.027","0.0009","20.1592","0.0011","90","","90","","90","","4609.7","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H25 Ag Cl N3 O4 S2 -","- C20 H25 Ag Cl N3 O4 S2 -","- C160 H200 Ag8 Cl8 N24 O32 S16 -","8","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0717","0.0631","","","0.1117","0.1143","","","","","","1.344","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208742","33.8229","0.0008","7.4038","0.0002","9.1147","0.0002","90","","90","","90","","2282.48","0.1","173","2","173","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C19 H26 Ag2 N4 O7 S2 -","- C19 H26 Ag2 N4 O7 S2 -","- C76 H104 Ag8 N16 O28 S8 -","4","0.5","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.09","0.0871","","","0.2165","0.218","","","","","","1.208","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208743","8.1769","0.0013","10.2311","0.0016","13.132","0.002","77.649","0.007","83.949","0.008","78.854","0.007","1050.6","0.3","172","2","172","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Hg N4 O6 S2 -","- C18 H22 Hg N4 O6 S2 -","- C36 H44 Hg2 N8 O12 S4 -","2","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0412","0.0358","","","0.1128","0.1402","","","","","","0.912","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208744","8.41","0.0008","9.2205","0.001","15.1951","0.0017","90","","93.107","0.005","90","","1176.6","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl2 Cu N2 O9 S2 -","- C18 H24 Cl2 Cu N2 O9 S2 -","- C36 H48 Cl4 Cu2 N4 O18 S4 -","2","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0533","0.052","","","0.1456","0.147","","","","","","1.03","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208745","16.5333","0.0012","10.1786","0.0007","16.9387","0.0012","90","","117.185","0.003","90","","2535.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 Cl2 N2 O9 Pb S2 -","- C19 H24 Cl2 N2 O9 Pb S2 -","- C76 H96 Cl8 N8 O36 Pb4 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0297","0.0286","","","0.0835","0.0843","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208746","5.48888","0.00009","5.4611","0.00009","24.9512","0.0004","90","","90","","90","","747.92","0.02","298","","298","","","","","","","","","4","A 21 a m","A -2 2a","36","","","","- Bi2.5 Na0.5 Nb2 O9 -","- Bi2.5 Na0.5 Nb2 O9 -","- Bi10 Na2 Nb8 O36 -","4","0.5","","Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang","Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9","CrystEngComm","2012","14","21","7201","","10.1039/c2ce25718a","powder diffraction","","1.5406","CuKα1","","","0.0768","","","","0.1009","","","1.2","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208747","5.49254","0.00012","5.47896","0.00013","24.8632","0.0005","90","","90","","90","","748.22","0.03","298","","298","","","","","","","","","5","A 21 a m","A -2 2a","36","","","","- Bi2 La0.5 Na0.5 Nb2 O9 -","- Bi2.0002 La0.4996 Na0.5 Nb2 O9 -","- Bi8.0008 La1.9984 Na2 Nb8 O36 -","4","0.5","","Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang","Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9","CrystEngComm","2012","14","21","7201","","10.1039/c2ce25718a","powder diffraction","","1.5406","CuKα1","","","0.0876","","","","0.1122","","","1.3","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208748","5.48754","0.00008","5.47967","0.00009","24.8523","0.0004","90","","90","","90","","747.31","0.02","298","","298","","","","","","","","","6","A 21 a m","A -2 2a","36","","","","- Bi2 La0.5 Na0.5 Nb1.972 O9 W0.023 -","- Bi2 La0.5002 Na0.5001 Nb1.972 O9 W0.024 -","- Bi8 La2.0008 Na2.0004 Nb7.888 O36 W0.096 -","4","0.5","","Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang","Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9","CrystEngComm","2012","14","21","7201","","10.1039/c2ce25718a","powder diffraction","","1.5406","CuKα1","","","0.0713","","","","0.0914","","","1.31","","","","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208749","11.1768","0.0005","12.2798","0.0007","13.8457","0.0005","92.345","0.004","101.299","0.004","110.315","0.005","1735.26","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Cu3 Mo12 N18 O40 P -","- C36 H36 Cu3 Mo12 N18 O40 P -","- C36 H36 Cu3 Mo12 N18 O40 P -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo","Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges","CrystEngComm","2012","14","20","6573","","10.1039/c2ce25747e","","","0.71073","MoKα","","0.0765","0.035","","","0.0391","0.0417","","","","","","0.806","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208750","11.79","0.002","12.562","0.003","13.051","0.003","81.35","0.03","71.88","0.03","72.32","0.03","1747","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H43 Cu2 Mo12 N18 O42.5 Si -","- C36 H38 Cu2 Mo12 N18 O42.5 Si -","- C36 H38 Cu2 Mo12 N18 O42.5 Si -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo","Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges","CrystEngComm","2012","14","20","6573","","10.1039/c2ce25747e","","","0.71073","MoKα","","0.086","0.0772","","","0.1722","0.178","","","","","","1.08","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208751","14.0334","0.0009","14.4092","0.0009","15.3559","0.0009","87.956","0.001","62.931","0.001","72.497","0.001","2618.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H76 Cu6 N36 O42 Si W12 -","- C72 H72 Cu6 N36 O42 Si W12 -","- C72 H72 Cu6 N36 O42 Si W12 -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo","Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges","CrystEngComm","2012","14","20","6573","","10.1039/c2ce25747e","","","0.71073","MoKα","","0.0529","0.0418","","","0.0867","0.0939","","","","","","1.075","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208752","10.343","0.0011","10.4839","0.0011","11.3463","0.0012","90","","91.229","0.003","90","","1230.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","1","","Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish","Insights into H-aggregates and CH⋯O hydrogen bond mediated self-assembly of pyromellitic bisimide","CrystEngComm","2012","14","20","6586","","10.1039/c2ce25778e","","","0.71073","MoKα","","0.0534","0.0468","","","0.1211","0.126","","","","","","1.027","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208753","13.218","0.004","5.8309","0.0018","18.241","0.006","90","","108.237","0.015","90","","1335.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O8 -","- C30 H24 N2 O8 -","- C60 H48 N4 O16 -","2","0.5","","Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish","Insights into H-aggregates and CH⋯O hydrogen bond mediated self-assembly of pyromellitic bisimide","CrystEngComm","2012","14","20","6586","","10.1039/c2ce25778e","","","0.71073","MoKα","","0.0568","0.0372","","","0.0851","0.0983","","","","","","1.052","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208754","13.257","0.003","18.326","0.004","7.1499","0.0014","90","","115.93","0.03","90","","1562.2","0.7","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H32 Mg2 O28 S4 -","- C12 H32 Mg2 O28 S4 -","- C24 H64 Mg4 O56 S8 -","2","0.25","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0969","0.0727","","","0.1861","0.2118","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208755","8.2224","0.0016","8.8596","0.0018","10.543","0.002","87.39","0.03","68.54","0.03","77.46","0.03","697.2","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Ca O12 S2 -","- C6 H12 Ca O12 S2 -","- C12 H24 Ca2 O24 S4 -","2","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0757","0.0742","","","0.0985","0.1237","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208756","12.88","0.003","17.407","0.004","16.87","0.003","90","","90","","90","","3782.3","1.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H21 Ca2 O17.5 S2 -","- C6 H21 Ca2 O17.5 S2 -","- C48 H168 Ca16 O140 S16 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0453","0.0433","","","0.1293","0.1306","","","","","","1.076","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7208757","21.868","0.004","17.015","0.003","7.9824","0.0016","90","","93.2","0.03","90","","2965.5","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 O12 S2 Sr -","- C6 H12 O12 S2 Sr -","- C48 H96 O96 S16 Sr8 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0744","0.0595","","","0.1339","0.1457","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208758","19.134","0.004","8.1984","0.0016","19.519","0.004","90","","90","","90","","3061.9","1.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H12 O13 S2 Sr2 -","- C6 H12 O13 S2 Sr2 -","- C48 H96 O104 S16 Sr16 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0718","0.0576","","","0.1452","0.1568","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208759","19.875","0.004","7.8394","0.0016","8.8456","0.0018","90","","90","","90","","1378.2","0.5","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C6 H12 Ba O12 S2 -","- C6 H12 Ba O12 S2 -","- C24 H48 Ba4 O48 S8 -","4","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0318","0.0315","","","0.0745","0.0747","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208760","5.8767","0.0012","16.476","0.003","7.5012","0.0015","90","","94.47","0.03","90","","724.1","0.2","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H5 Ba O6 S -","- C3 H5 Ba O6 S -","- C12 H20 Ba4 O24 S4 -","4","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0312","0.03","","","0.0756","0.0764","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208761","11.2814","0.0012","9.9474","0.0011","13.2863","0.0015","90","","108.784","0.001","90","","1411.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 Br2 Cd N2 O4 -","- C12 H6 Br2 Cd N2 O4 -","- C48 H24 Br8 Cd4 N8 O16 -","4","1","","Calahorro, Antonio J.; López-Viseras, Marta E.; Salinas-Castillo, Alfonso; Fairen-Jimenez, David; Colacio, Enrique; Cano, Joan; Rodríguez-Diéguez, Antonio","Novel metal‒organic frameworks based on 5-bromonicotinic acid: Multifunctional materials with H2 purification capabilities","CrystEngComm","2012","14","20","6390","","10.1039/c2ce25807b","","","0.71073","MoKα","","0.0423","0.0323","","","0.0723","0.0772","","","","","","1.021","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208762","15.0926","0.0018","16.9747","0.0018","14.44","0.0016","90","","120.52","0.04","90","","3186.9","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Br4 Co2 N4 O9 -","- C24 H14 Br4 Co2 N4 O9 -","- C96 H56 Br16 Co8 N16 O36 -","4","0.5","","Calahorro, Antonio J.; López-Viseras, Marta E.; Salinas-Castillo, Alfonso; Fairen-Jimenez, David; Colacio, Enrique; Cano, Joan; Rodríguez-Diéguez, Antonio","Novel metal‒organic frameworks based on 5-bromonicotinic acid: Multifunctional materials with H2 purification capabilities","CrystEngComm","2012","14","20","6390","","10.1039/c2ce25807b","","","0.71073","MoKα","","0.0923","0.0669","","","0.204","0.2289","","","","","","1.064","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208763","6.7842","0.0019","7.258","0.002","21.155","0.006","90","","96.751","0.008","90","","1034.4","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","1","","Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","The differing influence of halides upon supramolecular aggregation through C–X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl","CrystEngComm","2012","14","20","6534","","10.1039/c2ce25841b","","","0.71069","MoKα","","0.0534","0.0525","","","0.1449","0.1454","","","","","","1.153","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208764","13.4975","0.0006","6.642","0.0002","13.5534","0.0006","90","","118.641","0.002","90","","1066.39","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 F N4 O -","- C10 H11 F N4 O -","- C40 H44 F4 N16 O4 -","4","1","","Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","The differing influence of halides upon supramolecular aggregation through C–X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl","CrystEngComm","2012","14","20","6534","","10.1039/c2ce25841b","","","0.71073","MoKα","","0.0672","0.0541","","","0.1112","0.1202","","","","","","1.075","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208765","13.4984","0.0008","6.6361","0.0004","14.0835","0.0005","90","","118.38","0.003","90","","1109.93","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cl N4 O -","- C10 H11 Cl N4 O -","- C40 H44 Cl4 N16 O4 -","4","1","","Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","The differing influence of halides upon supramolecular aggregation through C–X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl","CrystEngComm","2012","14","20","6534","","10.1039/c2ce25841b","","","0.71073","MoKα","","0.0859","0.0483","","","0.1133","0.1332","","","","","","1.019","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208766","13.4204","0.0006","16.5076","0.0007","28.1263","0.0013","90","","90","","90","","6231.1","0.5","273","2","273","2","","","","","","","","5","I b c a","-I 2b 2c","73","(24-crown-8) tetrasilver nitrate","(24-crown-8) tetrasilver nitrate","","- C8 H16 Ag2 N2 O10 -","- C8 H16 Ag2 N2 O10 -","- C128 H256 Ag32 N32 O160 -","16","1","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.0464","0.0365","","","0.0753","0.0785","","","","","","1.07","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208767","16.3286","0.0008","13.4452","0.0005","28.0645","0.0014","90","","90.8","0.004","90","","6160.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(24-crown-8) tetrasilver nitrate","(24-crown-8) tetrasilver nitrate","","- C32 H64 Ag8 N8 O40 -","- C32 H64 Ag8 N8 O40 -","- C128 H256 Ag32 N32 O160 -","4","1","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.091","0.0438","","","0.0881","0.0973","","","","","","0.865","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208768","12.1262","0.0013","17.6035","0.0016","14.7902","0.0012","90","","93.461","0.008","90","","3151.4","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(24-crown-8) tetrasilver nitrate dihydrate","(24-crown-8) tetrasilver nitrate dihydrate","","- C16 H36 Ag4 N4 O22 -","- C16 H36 Ag4 N4 O22 -","- C64 H144 Ag16 N16 O88 -","4","0.5","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.0481","0.036","","","0.0939","0.101","","","","","","1.071","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208769","7.778","0.002","22.865","0.007","16.384","0.005","90","","99.471","0.005","90","","2874.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 N3 O8 Zn2 -","- C33 H23 N3 O8 Zn2 -","- C132 H92 N12 O32 Zn8 -","4","1","","Zhang, Shu-quan; Jiang, Fei-long; Bu, Yang; Wu, Ming-yan; Ma, Jie; Shan, Xiao-chen; Xiong, Ke-cai; Hong, Mao-chun","Two dual-emissive Zn(ii) coordination polymers with tunable photoluminescence properties","CrystEngComm","2012","14","20","6394","","10.1039/c2ce25880c","","","0.71073","MoKα","","0.0462","0.0393","","","0.1068","0.1131","","","","","","1.014","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208770","11.697","0.002","14.521","0.003","14.76","0.003","73.646","0.004","73.937","0.005","87.731","0.007","2309.7","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 N4 O15 Zn2 -","- C54 H38 N4 O15 Zn2 -","- C108 H76 N8 O30 Zn4 -","2","1","","Zhang, Shu-quan; Jiang, Fei-long; Bu, Yang; Wu, Ming-yan; Ma, Jie; Shan, Xiao-chen; Xiong, Ke-cai; Hong, Mao-chun","Two dual-emissive Zn(ii) coordination polymers with tunable photoluminescence properties","CrystEngComm","2012","14","20","6394","","10.1039/c2ce25880c","","","0.71073","MoKα","","0.0637","0.045","","","0.0927","0.1","","","","","","0.935","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208771","31.956","0.011","13.755","0.004","16.234","0.006","90","","118.944","0.003","90","","6244","4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H35.5 N6 Ni O6.25 -","- C34 H35.5 N6 Ni O6.25 -","- C272 H284 N48 Ni8 O50 -","8","1","","Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","A 2D→3D net with coexistence of polycatenation and polythreading constructed by long rigid and flexible ligands","CrystEngComm","2012","14","20","6397","","10.1039/c2ce25911g","","","0.71073","MoKα","","0.0544","0.0435","","","0.1142","0.1213","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208772","34.628","0.002","18.2216","0.0006","23.1357","0.0018","90","","118.404","0.009","90","","12840.7","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cd3 Cl3 N5 O21.5 -","- C42 H33 Cd3 Cl3 N5 O15 -","- C336 H264 Cd24 Cl24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.1183","0.092","","","0.2796","0.3136","","","","","","1.188","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208773","35.319","0.003","18.2332","0.001","23.452","0.002","90","","120.172","0.01","90","","13056","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H60 Cd3 N5 O15 -","- C68 H60 Cd3 N5 O15 -","- C544 H480 Cd24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.0829","0.0694","","","0.1849","0.1926","","","","","","1.094","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208774","34.799","0.002","18.4666","0.0011","23.031","0.002","90","","118.787","0.01","90","","12971","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H58 Cd3 N5 O23 -","- C48 H40 Cd3 N5 O15 -","- C384 H320 Cd24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","1.54184","CuKα","","0.0783","0.0724","","","0.2118","0.2207","","","","","","1.069","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208775","34.0339","0.001","18.7606","0.0004","22.3666","0.0007","90","","116.429","0.004","90","","12788.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 Cd3 N6 O26 -","- C44 H40 Cd3 N6 O16 -","- C352 H320 Cd24 N48 O128 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.0976","0.0608","","","0.1555","0.172","","","","","","0.963","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208776","33.943","0.002","18.5224","0.0011","21.2174","0.0018","90","","116.291","0.009","90","","11959.6","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H56 Cd3 N5 O26 -","- C41 H26 Cd3 N5 O15 -","- C328 H208 Cd24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.1729","0.1416","","","0.3656","0.3967","","","","","","1.305","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208777","10.635","0.009","15.32","0.013","15.753","0.013","82.79","0.009","73.747","0.009","73.244","0.01","2357","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H58 N8 Nd2 O28 S7 -","- C14 H58 N8 Nd2 O28 S7 -","- C28 H116 N16 Nd4 O56 S14 -","2","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0774","0.0529","","","0.1618","0.1796","","","","","","1.184","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7208778","9.6036","0.0008","10.449","0.0009","10.5171","0.0009","72.164","0.001","72.66","0.001","75.19","0.001","943.18","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Eu N3 O12 S3 -","- C6 H24 Eu N3 O12 S3 -","- C12 H48 Eu2 N6 O24 S6 -","2","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0232","0.0226","","","0.0638","0.0642","","","","","","1.239","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208779","10.9333","0.0009","10.2837","0.0009","31.318","0.003","90","","90","","90","","3521.2","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 Eu N3 O12 S3 -","- C5 H21 Eu N3 O12 S3 -","- C40 H168 Eu8 N24 O96 S24 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0371","0.0307","","","0.0789","0.081","","","","","","1.144","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208780","10.9321","0.0017","10.272","0.0016","31.325","0.005","90","","90","","90","","3517.6","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 Gd N3 O12 S3 -","- C5 H21 Gd N3 O12 S3 -","- C40 H168 Gd8 N24 O96 S24 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0452","0.0314","","","0.0679","0.0717","","","","","","1.016","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208781","10.919","0.004","10.236","0.003","31.206","0.01","90","","90","","90","","3488","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 N3 O12 S3 Tb -","- C5 H21 N3 O12 S3 Tb -","- C40 H168 N24 O96 S24 Tb8 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0369","0.0261","","","0.0656","0.0703","","","","","","0.978","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208782","9.832","0.005","11.001","0.006","15.288","0.008","70.555","0.006","75.366","0.007","67.367","0.005","1424.4","1.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H32 Dy2 N4 O20 S5 -","- C8 H32 Dy2 N4 O20 S5 -","- C16 H64 Dy4 N8 O40 S10 -","2","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.1083","0.0749","","","0.1834","0.1991","","","","","","1.066","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208783","8.726","0.0018","9.828","0.002","13.475","0.003","99.102","0.002","92.703","0.003","115.764","0.002","1018.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Dy2 N10 O32 S8 -","- C10 H50 Dy2 N10 O32 S8 -","- C10 H50 Dy2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0541","0.0428","","","0.0984","0.1029","","","","","","1.012","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208784","8.734","0.002","9.824","0.003","13.466","0.004","99.028","0.003","92.819","0.003","115.737","0.003","1018.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Ho2 N10 O32 S8 -","- C10 H50 Ho2 N10 O32 S8 -","- C10 H50 Ho2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0307","0.0267","","","0.0596","0.0611","","","","","","1","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208785","8.7375","0.0018","9.817","0.002","13.443","0.003","98.975","0.002","92.892","0.002","115.75","0.002","1016.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Er2 N10 O32 S8 -","- C10 H50 Er2 N10 O32 S8 -","- C10 H50 Er2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0234","0.0221","","","0.0574","0.0579","","","","","","1.199","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208786","8.727","0.004","9.793","0.004","13.407","0.009","99.014","0.007","93.045","0.007","115.736","0.004","1009.9","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 N10 O32 S8 Tm2 -","- C10 H50 N10 O32 S8 Tm2 -","- C10 H50 N10 O32 S8 Tm2 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0368","0.0315","","","0.065","0.0669","","","","","","1.024","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208787","8.744","0.01","9.802","0.012","13.444","0.016","99.049","0.013","93.013","0.013","115.786","0.013","1015","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 N10 O32 S8 Yb2 -","- C10 H50 N10 O32 S8 Yb2 -","- C10 H50 N10 O32 S8 Yb2 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0374","0.0326","","","0.0706","0.0752","","","","","","1.171","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208788","8.7343","0.0006","9.785","0.0007","13.3866","0.0014","98.95","0.001","93.16","0.001","115.715","0.001","1008.52","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Lu2 N10 O32 S8 -","- C10 H50 Lu2 N10 O32 S8 -","- C10 H50 Lu2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0292","0.0259","","","0.0586","0.0598","","","","","","1.043","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208789","7.6843","0.0005","5.5794","0.0004","9.4459","0.0007","90","","100.949","0.004","90","","397.61","0.05","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-H-Tetrazole, 1-(Phenylmethyl)","1-H-Tetrazole, 1-(Phenylmethyl)","","- C8 H8 N4 -","- C8 H8 N4 -","- C16 H16 N8 -","2","1","","Spencer, John; Patel, Hiren; Deadman, John J.; Palmer, Rex A.; Male, Louise; Coles, Simon J.; Uzoh, Ogaga G.; Price, Sarah L.","The unexpected but predictable tetrazole packing in flexible 1-benzyl-1H-tetrazole","CrystEngComm","2012","14","20","6441","","10.1039/c2ce25940k","","","0.71073","MoKα","","0.0694","0.0447","","","0.0786","0.087","","","","","","1.081","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208790","25.759","0.0008","13.593","0.0004","27.142","0.0008","90","","116.68","","90","","8491.7","0.4","187","2","187","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Ag4 N16 O40 Si W12 -","- C56 H56 Ag4 N16 O40 Si W12 -","- C224 H224 Ag16 N64 O160 Si4 W48 -","4","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.0446","0.0326","","","0.0708","0.0763","","","","","","1.02","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208791","12.5035","0.0004","13.6536","0.0005","14.4885","0.0005","115.173","0.001","91.44","0.001","107.595","0.001","2099.67","0.13","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H56 Ag4 N16 O40 Si W12 -","- C56 H56 Ag4 N16 O40 Si W12 -","- C56 H56 Ag4 N16 O40 Si W12 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71073","MoKα","","0.043","0.0335","","","0.0753","0.0803","","","","","","1.046","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208792","15.087","0.0008","15.343","0.0008","26.042","0.0014","95.941","0.001","100.639","0.001","115.479","0.001","5233.5","0.5","187","2","187","2","","","","","","","","8","P -1","-P 1","2","","","","- C112 H162.2 Ag7 N32 Na2 O147.6 P4 W36 -","- C112 H112 Ag7 N32 Na2 O126 P4 W36 -","- C112 H112 Ag7 N32 Na2 O126 P4 W36 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.0887","0.0555","","","0.1459","0.163","","","","","","0.975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208793","16.769","0.0006","16.8322","0.0006","21.3485","0.0007","88.713","0.001","82.497","0.001","76.926","0.001","5819.2","0.4","187","2","187","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H70 Ag5 K2 N20 O64 P2 W18 -","- C70 H70 Ag5 K2 N20 O64 P2 W18 -","- C140 H140 Ag10 K4 N40 O128 P4 W36 -","2","1","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.0564","0.0383","","","0.0967","0.114","","","","","","1.057","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208794","9.613","0.0003","12.409","0.0004","14.163","0.0005","68.306","0.001","76.9","0.001","78.21","","1515.33","0.09","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H44 Ag2 N8 O47.5 P W12 -","- C28 H28 Ag2 N8 O40 P W12 -","- C28 H28 Ag2 N8 O40 P W12 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.035","0.0313","","","0.0797","0.0823","","","","","","1.014","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208795","25.907","0.003","11.9344","0.0012","23.796","0.003","90","","114.356","0.002","90","","6702.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 Ag3 N11 O21 -","- C50 H48 Ag3 N11 O17 -","- C200 H192 Ag12 N44 O68 -","4","0.5","","Yu, Wen-Jing; Yu, Fan; Li, Bao; Zhang, Tianle","Two novel interpenetrating silver(i) coordination architectures modeled by semi-rigid tetra-pyridinate ligands","CrystEngComm","2012","14","24","8396","","10.1039/c2ce26009c","","","0.71073","MoKα","","0.0746","0.0539","","","0.1632","0.1742","","","","","","1.12","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208796","10.0372","0.0009","10.0372","0.0009","17.607","0.004","90","","90","","90","","1773.8","0.5","293","2","293","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C25 H32 Ag2 N6 O14 -","- C25 H32 Ag2 N6 O13 -","- C50 H64 Ag4 N12 O26 -","2","0.25","","Yu, Wen-Jing; Yu, Fan; Li, Bao; Zhang, Tianle","Two novel interpenetrating silver(i) coordination architectures modeled by semi-rigid tetra-pyridinate ligands","CrystEngComm","2012","14","24","8396","","10.1039/c2ce26009c","","","0.71073","MoKα","","0.0851","0.0789","","","0.1966","0.2046","","","","","","1.148","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208797","10.2262","0.0004","12.7262","0.0005","18.4057","0.0007","108.983","0.002","93.755","0.002","97.731","0.002","2229.16","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H36 Cd2 N6 O12 -","- C49 H36 Cd2 N6 O12 -","- C98 H72 Cd4 N12 O24 -","2","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0348","0.0293","","","0.0738","0.084","","","","","","1.166","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208798","9.4363","0.0001","9.4363","0.0001","33.2595","0.0006","90","","90","","90","","2961.55","0.07","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C34 H22 N4 O6 Zn -","- C34 H22 N4 O6 Zn -","- C136 H88 N16 O24 Zn4 -","4","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0458","0.0382","","","0.0661","0.0707","","","","","","1.079","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208799","9.0717","0.0003","9.5953","0.0003","24.5297","0.0009","79.486","0.002","85.167","0.002","88.973","0.002","2091.88","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H39 Cd N6 O7 -","- C50 H39 Cd N6 O7 -","- C100 H78 Cd2 N12 O14 -","2","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0571","0.0465","","","0.1093","0.1195","","","","","","1.015","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208800","10.6827","0.0002","14.4414","0.0003","14.6757","0.0003","102.886","0.001","99.604","0.001","104.259","0.001","2079.29","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H70 N12 O29 Zn4 -","- C84 H70 N12 O29 Zn4 -","- C84 H70 N12 O29 Zn4 -","1","0.5","","Huang, Hai-xiao; Luo, Feng; Sun, Gong-ming; Song, Yu-mei; Tian, Xiao-zhao; Zhu, Yan; Yuan, Zi-jun; Feng, Xue-feng; Luo, Ming-biao","The first 2D→3D polycatenation array built on (3,4)-connected bilayer nets","CrystEngComm","2012","14","23","7861","","10.1039/c2ce26043c","","","0.71073","MoKα","","0.0642","0.0406","","","0.1119","0.1278","","","","","","1.067","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208801","8.8489","0.0007","4.9807","0.0004","18.7046","0.0016","90","","100.158","0.002","90","","811.46","0.11","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Guanidinium Carbamoyldicyanomethanide","Guanidinium Carbamoyldicyanomethanide","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C20 H32 N24 O4 -","4","1","","Turner, David R.; Edwards, Alison J.; Piltz, Ross O.","Nitrile groups as hydrogen-bond acceptors in a donor-rich hydrogen-bonding network","CrystEngComm","2012","14","20","6447","","10.1039/c2ce26052b","","","0.71073","MoKα","","0.0393","0.036","","","0.0836","0.0869","","","","","","1.108","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208802","8.8489","0.0007","4.9807","0.0004","18.7046","0.0016","90","","100.158","0.002","90","","811.46","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Guanidinium Carbamoyldicyanomethanide","","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C20 H32 N24 O4 -","4","1","","Turner, David R.; Edwards, Alison J.; Piltz, Ross O.","Nitrile groups as hydrogen-bond acceptors in a donor-rich hydrogen-bonding network","CrystEngComm","2012","14","20","6447","","10.1039/c2ce26052b","","neutron","","neutron","","0.0413","0.0271","","","0.0543","0.0579","","","","","","0.908","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208803","30.9991","0.001","10.1021","0.0004","20.4318","0.0008","90","","110.727","0.003","90","","5984.2","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 N20 O18 Pb3 -","- C46 H48 N20 O18 Pb3 -","- C184 H192 N80 O72 Pb12 -","4","0.5","","Hashemi, Lida; Morsali, Ali","Reversible crystal-to-crystal transformation in nano-porous three-dimensional lead(ii) MOFs; study of solvent attendance on iodide adsorption affinity","CrystEngComm","2012","14","24","8349","","10.1039/c2ce26056e","","","0.71073","MoKα","","0.1702","0.1076","","","0.2029","0.2286","","","","","","1.114","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208804","10.152","0.003","17.953","0.006","18.062","0.006","90","","94.62","0.01","90","","3281.3","1.8","115","2","388","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H57 Co4 N4 O36 -","- C48 H57 Co4 N4 O35.5 -","- C48 H57 Co4 N4 O35.5 -","1","0.5","","Zou, Yang; Yu, Chaoyong; Li, Yuanyuan; Lah, Myoung Soo","A 3-dimensional coordination polymer with a rare lonsdaleite topology constructed from a tetrahedral ligand","CrystEngComm","2012","14","21","7174","","10.1039/c2ce26109j","","","0.71073","MoKα","","0.1503","0.102","","","0.2662","0.2951","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208805","29.61","0.004","29.61","0.004","9.77","0.002","90","","90","","90","","8566","2","298","2","298","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H38 Cu2 N2 O9 P4 -","- C38 H36 Cu2 N2 O9 P4 -","- C304 H288 Cu16 N16 O72 P32 -","8","1","","Bataille, Thierry; Bracco, Silvia; Comotti, Angiolina; Costantino, Ferdinando; Guerri, Annalisa; Ienco, Andrea; Marmottini, Fabio","Solvent dependent synthesis of micro- and nano- crystalline phosphinate based 1D tubular MOF: structure and CO2 adsorption selectivity","CrystEngComm","2012","14","21","7170","","10.1039/c2ce26138c","","","1.5418","CuKα","","0.2049","0.0798","","","0.1724","0.226","","","","","","0.991","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208806","29.573","0.003","29.573","0.003","9.736","0.003","90","","90","","90","","8515","3","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H36 Cu2 N2 O8 P4 -","- C38 H36 Cu2 N2 O8 P4 -","- C304 H288 Cu16 N16 O64 P32 -","8","1","","Bataille, Thierry; Bracco, Silvia; Comotti, Angiolina; Costantino, Ferdinando; Guerri, Annalisa; Ienco, Andrea; Marmottini, Fabio","Solvent dependent synthesis of micro- and nano- crystalline phosphinate based 1D tubular MOF: structure and CO2 adsorption selectivity","CrystEngComm","2012","14","21","7170","","10.1039/c2ce26138c","","","0.71073","MoKα","","0.0631","0.046","","","0.1085","0.1166","","","","","","1.058","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208807","11.328","0.002","13.975","0.003","18.27","0.003","106.019","0.004","100.171","0.004","102.572","0.003","2625.6","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H50 Ag4 N14 O18 -","- C47 H50 Ag4 N14 O18 -","- C94 H100 Ag8 N28 O36 -","2","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0828","0.0661","","","0.1228","0.1308","","","","","","1.169","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208808","19.314","0.004","12.146","0.002","17.814","0.004","90","","106.86","0.03","90","","3999.3","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H34 Ag3 N11 O11 -","- C37 H34 Ag3 N11 O11 -","- C148 H136 Ag12 N44 O44 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0344","0.0306","","","0.0657","0.0688","","","","","","1.013","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208809","14.01","0.004","11.38","0.003","18.085","0.005","90","","101.627","0.005","90","","2824.2","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Ag2 N8 O7 -","- C27 H24 Ag2 N8 O7 -","- C108 H96 Ag8 N32 O28 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0994","0.0767","","","0.1979","0.2106","","","","","","1.189","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208810","12.3175","0.0005","13.2596","0.0006","25.4769","0.0011","88.893","0.002","88.152","0.002","79.98","0.002","4095","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","AR-ZZ4 pentyl 4-pyridyl cavitand, 1,4-I2-F4-benzene","","- C88 H82 F8 I4 N6 O8 -","- C88 H82 F8 I4 N6 O8 -","- C176 H164 F16 I8 N12 O16 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Metrangolo, Pierangelo; Resnati, Giuseppe; Parisi, Melchiorre F.; Desper, John; Pilati, Tullio","The quest for a molecular capsule assembled via halogen bonds","CrystEngComm","2012","14","20","6366","","10.1039/c2ce26173a","","","0.71073","MoKα","","0.0806","0.0513","","","0.1244","0.1412","","","","","","1.033","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208811","18.758","0.003","19.828","0.003","22.558","0.003","100.106","0.01","98.682","0.01","110.342","0.009","7538","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C159 H160.5 F16 I4 N9.5 O16 -","- C158.999 H160.5 F15.9996 I3.9999 N9.5 O15.9999 -","- C317.998 H320.999 F31.9992 I7.9998 N19 O31.9998 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Metrangolo, Pierangelo; Resnati, Giuseppe; Parisi, Melchiorre F.; Desper, John; Pilati, Tullio","The quest for a molecular capsule assembled via halogen bonds","CrystEngComm","2012","14","20","6366","","10.1039/c2ce26173a","","","0.71073","MoKα","","0.3358","0.2076","","","0.4356","0.476","","","","","","2.216","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208812","7.7265","0.0016","9.864","0.002","22.541","0.005","79.457","0.004","89.924","0.007","89.993","0.004","1688.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cl N O5 -","- C19 H16 Cl N O5 -","- C76 H64 Cl4 N4 O20 -","4","2","","Báthori, Nikoletta B.; Oliver, Clive L.","Polymorphism of the β,γ-hydroxylactone derived from indomethacin","CrystEngComm","2012","14","24","8361","","10.1039/c2ce26188j","","","0.71073","MoKα","","0.127","0.0588","","","0.1068","0.1283","","","","","","1.005","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208813","8.6273","0.0017","9.5152","0.0019","10.644","0.002","81.61","0.03","75.88","0.03","86.06","0.03","837.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cl N O5 -","- C19 H16 Cl N O5 -","- C38 H32 Cl2 N2 O10 -","2","1","","Báthori, Nikoletta B.; Oliver, Clive L.","Polymorphism of the β,γ-hydroxylactone derived from indomethacin","CrystEngComm","2012","14","24","8361","","10.1039/c2ce26188j","","","0.71073","MoKα","","0.0395","0.0331","","","0.076","0.0802","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208814","20.925","0.002","20.925","0.002","20.61","0.002","90","","90","","120","","7815.2","1.3","298","2","298","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C43 H54 Cl3 Cu4 N10 O3 S4 -","- C43 H54 Cl3 Cu4 N10 O3 S4 -","- C258 H324 Cl18 Cu24 N60 O18 S24 -","6","0.333333","","You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei","Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges","CrystEngComm","2012","14","21","7133","","10.1039/c2ce26201k","","","0.71073","MoKα","","0.0519","0.0373","","","0.0799","0.0858","","","","","","1.033","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208815","20.6498","0.0008","20.6498","0.0008","20.3322","0.0013","90","","90","","120","","7508.4","0.6","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C43 H57 Cu4 N10 O3 S4 -","- C43 H57 Cu4 N10 O3 S4 -","- C258 H342 Cu24 N60 O18 S24 -","6","0.333333","","You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei","Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges","CrystEngComm","2012","14","21","7133","","10.1039/c2ce26201k","","","0.71073","MoKα","","0.0592","0.0358","","","0.0722","0.0816","","","","","","1.029","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208816","8.3136","0.0019","14.719","0.004","11.526","0.003","90","","90.807","0.005","90","","1410.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O9 Tb -","- C11 H11 N3 O9 Tb -","- C44 H44 N12 O36 Tb4 -","4","1","","Yu, Yang; Ma, Jian-Ping; Dong, Yu-Bin","Luminescent humidity sensors based on porous Ln3±MOFs","CrystEngComm","2012","14","21","7157","","10.1039/c2ce26210j","","","0.71073","MoKα","","0.0886","0.0608","","","0.1072","0.1172","","","","","","1.056","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208817","8.2862","0.0017","14.865","0.003","11.559","0.002","90","","90.87","0.003","90","","1423.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Eu N3 O9 -","- C11 H11 Eu N3 O9 -","- C44 H44 Eu4 N12 O36 -","4","1","","Yu, Yang; Ma, Jian-Ping; Dong, Yu-Bin","Luminescent humidity sensors based on porous Ln3±MOFs","CrystEngComm","2012","14","21","7157","","10.1039/c2ce26210j","","","0.71073","MoKα","","0.0498","0.0402","","","0.0782","0.0818","","","","","","1.057","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208818","6.7956","0.0015","11.993","0.003","21.79","0.005","90","","90","","90","","1775.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl (2R,3S)-2-hydroxy-3-phenyl-3-(((5-phenyl-1,3,4- oxadiazol-2-yl)-carbonyl)amino)-propanoate","methyl (2R,3S)-2-hydroxy-3-phenyl-3-{[(5-phenyl-1,3,4-oxadiazol- 2-yl)-carbonyl]amino}-propanoate","","- C19 H17 N3 O5 -","- C19 H17 N3 O5 -","- C76 H68 N12 O20 -","4","1","","Wang, Li; Zhang, Zhenfeng; Wang, Yibo; Wu, Yanbo; Zhang, Shengyong","O⋯π and O–H⋯π interactions: the first disclosure of the nature of 1,3,4-oxadiazol⋯aromatic contacts","CrystEngComm","2012","14","23","7877","","10.1039/c2ce26224j","","","0.71073","MoKα","","0.0269","0.0246","","","0.0615","0.0638","","","","","","1.008","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208819","16.459","0.001","4.1097","0.0005","18.072","0.001","90","","93.72","0.01","90","","1219.84","0.18","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H8 Cl2 N2 O Pb -","- C10 H8 Cl2 N2 O Pb -","- C40 H32 Cl8 N8 O4 Pb4 -","4","1","","Toma, Oksana; Mercier, Nicolas; Bouilland, Mathilde; Allain, Magali","N-oxide-4,4′-bipyridine, a forgotten ligand in coordination chemistry: structure‒photoluminescence property relationships in 2D and 1D lead-coordination polymers","CrystEngComm","2012","14","23","7844","","10.1039/c2ce26237a","","x-ray","0.71073","","","0.0585","0.0381","","","0.0686","0.0745","","","","","","1.054","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208820","16.847","0.001","4.0866","0.0005","35.249","0.003","90","","97.55","0.01","90","","2405.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cl2 N6 O8 Pb -","- C20 H18 Cl2 N6 O8 Pb -","- C80 H72 Cl8 N24 O32 Pb4 -","4","0.5","","Toma, Oksana; Mercier, Nicolas; Bouilland, Mathilde; Allain, Magali","N-oxide-4,4′-bipyridine, a forgotten ligand in coordination chemistry: structure‒photoluminescence property relationships in 2D and 1D lead-coordination polymers","CrystEngComm","2012","14","23","7844","","10.1039/c2ce26237a","","x-ray","0.71073","","","0.0856","0.0399","","","0.0617","0.0685","","","","","","1.039","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208821","18.14","0.003","5.04","0.0009","19.369","0.003","90","","90","","90","","1770.8","0.5","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O S -","- C22 H18 N2 O S -","- C88 H72 N8 O4 S4 -","4","1","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.0757","0.0548","","","0.1413","0.1638","","","","","","1.136","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208822","8.8488","0.0015","21.149","0.004","10.0801","0.0017","90","","98.541","0.004","90","","1865.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.1075","0.0571","","","0.1463","0.1747","","","","","","1.027","","","","has coordinates,has disorder","301863","2025-08-22","13:07:30",""
"7208823","10.511","0.002","34.171","0.008","11.778","0.003","90","","113.517","0.005","90","","3879","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O3 S -","- C22 H18 N2 O3 S -","- C176 H144 N16 O24 S8 -","8","2","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.1043","0.0504","","","0.1066","0.1279","","","","","","1.003","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208824","9.993","0.0006","9.7316","0.0004","25.6891","0.0012","90","","93.021","0.004","90","","2494.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 O -","- C37 H22 O -","- C148 H88 O4 -","4","1","","Dong, Shou-Cheng; Gao, Chun-Hong; Zhang, Zhao-Hu; Jiang, Zuo-Quan; Lee, Shuit-Tong; Liao, Liang-Sheng","New dibenzofuran/spirobifluorene hybrids as thermally stable host materials for efficient phosphorescent organic light-emitting diodes with low efficiency roll-off.","Physical chemistry chemical physics : PCCP","2012","14","41","14224","14228","10.1039/c2cp41535f","","","0.7107","MoKα","","0.1219","0.0624","","","0.152","0.1922","","","","","","0.939","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208825","14.992","0.002","6.4333","0.0007","13.61","0.002","90","","107.306","0.012","90","","1253.2","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C32 H72 N16 O24 -","4","1","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","","0.71075","MoKα","","0.0566","0.0443","","","0.1111","0.118","","","","","","1.077","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208826","7.74","0.005","6.44","0.005","13.54","0.005","90","","110.88","0.01","90","","630.6","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) & oxalic acid","bis(N,N-Dimethylurea) ethanedioc acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.131","0.0706","","","0.1146","0.1224","","","","","","1.532","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208827","7.77","0.005","6.44","0.005","13.6","0.005","90","","111.14","0.01","90","","634.7","0.7","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.1244","0.0684","","","0.1162","0.1231","","","","","","1.681","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208828","7.7944","0.0003","6.4482","0.0002","13.655","0.0006","90","","111.407","0.002","90","","638.95","0.04","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","","0.71073","MoKα","","0.0577","0.0511","","","0.1498","0.1566","","","","","","1.124","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208829","7.79","0.005","6.45","0.005","13.66","0.005","90","","111.41","0.01","90","","639","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.1303","0.0672","","","0.1145","0.1234","","","","","","1.668","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208830","7.82","0.005","6.45","0.005","13.71","0.005","90","","111.66","0.01","90","","642.7","0.7","225","","225","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.1302","0.0649","","","0.1147","0.1248","","","","","","1.695","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208831","7.84","0.005","6.46","0.005","13.77","0.005","90","","111.94","0.01","90","","646.9","0.7","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.1024","0.0584","","","0.1036","0.1127","","","","","","1.719","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208832","7.87","0.005","6.47","0.005","13.83","0.005","90","","112.2","0.01","90","","652","0.7","275","","275","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.1107","0.0578","","","0.0974","0.1071","","","","","","1.573","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208833","7.8936","0.0004","6.4695","0.0003","13.8871","0.0007","90","","112.474","0.003","90","","655.32","0.06","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C4 H9 N2 O3 -","- C4 H9 N2 O3 -","- C16 H36 N8 O12 -","4","1","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","","0.71073","MoKα","","0.0684","0.0521","","","0.1663","0.1795","","","","","","1.118","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208834","7.89","0.005","6.47","0.005","13.89","0.005","90","","112.47","0.01","90","","655.2","0.7","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-Dimethylurea) oxalic acid","bis(N,N-Dimethylurea) ethanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C.","Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.","Physical chemistry chemical physics : PCCP","2012","14","38","13273","13283","10.1039/c2cp41782k","","neutron","","neutron","","0.0962","0.0567","","","0.0969","0.1044","","","","","","1.591","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208835","8.6319","0.0008","10.0114","0.0009","22.265","0.002","90","","96.953","0.002","90","","1909.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O4 S6 -","- C15 H13 N O4 S6 -","- C60 H52 N4 O16 S24 -","4","1","","Huo, Peng; Wang, Jin-Po; Shao, Ming-Yan; Sun, Yong-Gang; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","A redox active proton transfer and hydrogen-bonding system of tetrathiafulvalene-dicarboxylic acid and pyridine bases.","Physical chemistry chemical physics : PCCP","2012","14","47","16229","16235","10.1039/c2cp42836a","","","0.71075","MoKα","","0.0495","0.0421","","","0.0973","0.1026","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208836","17.14","0.003","7.7891","0.0012","17.338","0.003","90","","102.363","0.004","90","","2261","0.7","223","2","223","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H16 N2 O4 S6 -","- C20 H16 N2 O4 S6 -","- C80 H64 N8 O16 S24 -","4","1","","Huo, Peng; Wang, Jin-Po; Shao, Ming-Yan; Sun, Yong-Gang; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","A redox active proton transfer and hydrogen-bonding system of tetrathiafulvalene-dicarboxylic acid and pyridine bases.","Physical chemistry chemical physics : PCCP","2012","14","47","16229","16235","10.1039/c2cp42836a","","","0.71075","MoKα","","0.0997","0.0748","","","0.1313","0.1436","","","","","","1.066","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208837","10.6334","0.0007","13.2801","0.0009","13.5988","0.0008","77.855","0.008","78.677","0.008","79.177","0.007","1819.2","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N2 O8 S12 -","- C30 H24 N2 O8 S12 -","- C60 H48 N4 O16 S24 -","2","1","","Huo, Peng; Wang, Jin-Po; Shao, Ming-Yan; Sun, Yong-Gang; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","A redox active proton transfer and hydrogen-bonding system of tetrathiafulvalene-dicarboxylic acid and pyridine bases.","Physical chemistry chemical physics : PCCP","2012","14","47","16229","16235","10.1039/c2cp42836a","","","0.71075","MoKα","","0.128","0.0879","","","0.2062","0.236","","","","","","1.121","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208838","9.9045","0.0007","11.5287","0.0008","9.9746","0.0007","90","","112.701","0.004","90","","1050.73","0.13","260","","260","","","","","","","","Wesley Henderson, USNA","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N2 O3 -","- C2 H8 N2 O3 -","- C16 H64 N16 O24 -","8","2","","Henderson, Wesley A.; Fylstra, Paul; De Long, Hugh C.; Trulove, Paul C.; Parsons, Simon","Crystal structure of the ionic liquid EtNH(3)NO(3)-Insights into the thermal phase behavior of protic ionic liquids.","Physical chemistry chemical physics : PCCP","2012","14","46","16041","16046","10.1039/c2cp43079g","","","0.71073","MoKα","","0.0764","0.0444","","0.1215","0.1044","0.1215","","","","","","0.9793","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208839","9.8294","0.0003","11.4347","0.0004","9.8981","0.0003","90","","113.007","0.002","90","","1024.02","0.06","150","","150","","","","","","","","Wesley Henderson, USNA","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N2 O3 -","- C2 H8 N2 O3 -","- C16 H64 N16 O24 -","8","2","","Henderson, Wesley A.; Fylstra, Paul; De Long, Hugh C.; Trulove, Paul C.; Parsons, Simon","Crystal structure of the ionic liquid EtNH(3)NO(3)-Insights into the thermal phase behavior of protic ionic liquids.","Physical chemistry chemical physics : PCCP","2012","14","46","16041","16046","10.1039/c2cp43079g","","","0.71073","MoKα","","0.0443","0.034","","0.091","0.0851","0.091","","","","","","1.0144","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208840","9.7872","0.0003","11.4041","0.0004","9.8847","0.0003","90","","113.11","0.002","90","","1014.74","0.06","100","","100","","","","","","","","Wesley Henderson, USNA","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N2 O3 -","- C2 H8 N2 O3 -","- C16 H64 N16 O24 -","8","2","","Henderson, Wesley A.; Fylstra, Paul; De Long, Hugh C.; Trulove, Paul C.; Parsons, Simon","Crystal structure of the ionic liquid EtNH(3)NO(3)-Insights into the thermal phase behavior of protic ionic liquids.","Physical chemistry chemical physics : PCCP","2012","14","46","16041","16046","10.1039/c2cp43079g","","","0.71073","MoKα","","0.0528","0.0355","","0.0938","0.0838","0.0938","","","","","","0.9832","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208841","10.788","0.0005","16.5308","0.0008","7.1104","0.0003","90","","106.861","0.001","90","","1213.52","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O5 S -","- C11 H10 N2 O5 S -","- C44 H40 N8 O20 S4 -","4","1","","Paladhi, Sushovan; Chauhan, Ajay; Dhara, Kalyan; Tiwari, Ashwani Kumar; Dash, Jyotirmayee","An uncatalyzed aldol reaction of thiazolidinediones","Green Chemistry","2012","14","11","2990","","10.1039/c2gc35819k","","","0.71073","MoKα","","0.0328","0.029","","","0.0754","0.0787","","","","","","1.069","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208842","20.804","0.002","11.9934","0.0014","10.9684","0.0011","90","","102.666","0.002","90","","2670.1","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br2 N2 O4 S2 -","- C8 H6 Br2 N2 O4 S2 -","- C64 H48 Br16 N16 O32 S16 -","8","2","","Paladhi, Sushovan; Chauhan, Ajay; Dhara, Kalyan; Tiwari, Ashwani Kumar; Dash, Jyotirmayee","An uncatalyzed aldol reaction of thiazolidinediones","Green Chemistry","2012","14","11","2990","","10.1039/c2gc35819k","","","0.71073","MoKα","","0.0913","0.084","","","0.2092","0.2132","","","","","","1.149","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208843","17.188","0.005","14.671","0.005","17.44","0.005","90","0.005","93.406","0.005","90","0.005","4390","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C216 H176 N16 O32 -","8","2","","Ghosh, Partha Pratim; Pal, Gargi; Paul, Sanjay; Das, Asish R.","Design and synthesis of benzylpyrazolyl coumarin derivatives via a four-component reaction in water: investigation of the weak interactions accumulating in the crystal structure of a signified compound","Green Chemistry","2012","14","10","2691","","10.1039/c2gc36021g","","","0.71073","MoKα","","0.167","0.129","","","0.3723","0.3982","","","","","","1.076","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208844","10.017","0.005","7.789","0.004","27.003","0.015","90","","95.507","0.008","90","","2097.1","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trans-3-(2,4-Dichlorophenyl)-2-(4-fluorobenzoyl)- 5-methyl-3,5-dihydrofuro-[3,2-c]quinolin-4(2H)-one","trans-3-(2,4-Dichlorophenyl)-2-(4-fluorobenzoyl)- 5-methyl-3,5-dihydrofuro-[3,2-c]quinolin-4(2H)-one","","- C25 H16 Cl2 F N O3 -","- C25 H16 Cl2 F N O3 -","- C100 H64 Cl8 F4 N4 O12 -","4","1","","Indumathi, Sethuraman; Perumal, Subbu; Anbananthan, Natarajan","A facile eco-friendly three-component protocol for the regio- and stereoselective synthesis of functionalized trans-dihydrofuro[3,2-c]-quinolin-4(2H)-ones","Green Chemistry","2012","14","12","3361","","10.1039/c2gc36040c","","","0.71073","MoKα","","0.1226","0.079","","","0.1823","0.2072","","","","","","1.09","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208845","10.8016","0.0004","23.0207","0.0005","9.9117","0.0003","90","","111.566","0.004","90","","2292.11","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3aS,3cS,6aR,7S,9S,9aR)-methyl 2,5-diethyl-7,9-di(furan-2-yl)- 1,3,4,6-tetraoxododecahydro-1H-dipyrrolo[3,4-a:3',4'-f] pyrrolizine-3b-carboxylate","","- C25 H25 N3 O8 -","- C25 H25 N3 O8 -","- C100 H100 N12 O32 -","4","1","","Lu, Qing; Song, Gonghua; Jasinski, Jerry P.; Keeley, Amanda C.; Zhang, Wei","One-pot double [3 + 2] cycloaddition for diastereoselective synthesis of tetracyclic pyrrolidine compounds","Green Chemistry","2012","14","11","3010","","10.1039/c2gc36066g","","","1.54178","CuKα","","0.0756","0.0537","","","0.1484","0.1588","","","","","","1.067","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208846","11.5934","0.0004","23.9267","0.0007","12.5474","0.0005","90","","116.043","0.004","90","","3127.1","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 N4 O8 S -","- C28 H28 Cl2 N4 O8 S -","- C112 H112 Cl8 N16 O32 S4 -","4","1","","Lu, Qing; Song, Gonghua; Jasinski, Jerry P.; Keeley, Amanda C.; Zhang, Wei","One-pot double [3 + 2] cycloaddition for diastereoselective synthesis of tetracyclic pyrrolidine compounds","Green Chemistry","2012","14","11","3010","","10.1039/c2gc36066g","","","1.5418","CuKα","","0.0608","0.0526","","","0.1436","0.151","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208847","7.2406","0.0014","6.3111","0.0011","16.211","0.003","90","","98.719","0.007","90","","732.2","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 I N4 O2 -","- C13 H7 F4 I N4 O2 -","- C26 H14 F8 I2 N8 O4 -","2","1","","Chen, Hao; Ni, Ben-Bo; Gao, Fan; Ma, Yuguo","Pressure-accelerated copper-free cycloaddition of azide and alkyne groups pre-organized in the crystalline state at room temperature","Green Chemistry","2012","14","10","2703","","10.1039/c2gc36069a","","","0.71073","MoKα","","0.0265","0.0261","","","0.0618","0.0621","","","","","","1.051","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208848","5.7206","0.0011","10.897","0.002","12.306","0.003","86.6","0.03","84.86","0.03","80.87","0.03","753.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 F4 N4 O3 -","- C15 H10 F4 N4 O3 -","- C30 H20 F8 N8 O6 -","2","1","","Chen, Hao; Ni, Ben-Bo; Gao, Fan; Ma, Yuguo","Pressure-accelerated copper-free cycloaddition of azide and alkyne groups pre-organized in the crystalline state at room temperature","Green Chemistry","2012","14","10","2703","","10.1039/c2gc36069a","","","0.71073","MoKα","","0.0604","0.0532","","","0.1303","0.136","","","","","","1.098","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208849","9.5984","0.0004","9.3308","0.0007","14.7806","0.0012","90","","100.934","0.004","90","","1299.73","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F N O2 -","- C16 H14 F N O2 -","- C64 H56 F4 N4 O8 -","4","1","","Griesbeck, Axel G.; Nazarov, Nestor; Neudörfl, Jörg M.; Heffen, Maria","Intermolecular photodecarboxylation of electron-deficient substrates by phthalimides in water: efficiency, selectivity and online monitoring","Green Chemistry","2012","14","11","3004","","10.1039/c2gc36089f","","","0.71073","MoKα","","0.0723","0.0407","","","0.087","0.0951","","","","","","0.998","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208850","15.6286","0.001","8.625","0.0007","10.8601","0.0005","90","","96.661","0.004","90","","1454.02","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F3 N O2 -","- C17 H14 F3 N O2 -","- C68 H56 F12 N4 O8 -","4","1","","Griesbeck, Axel G.; Nazarov, Nestor; Neudörfl, Jörg M.; Heffen, Maria","Intermolecular photodecarboxylation of electron-deficient substrates by phthalimides in water: efficiency, selectivity and online monitoring","Green Chemistry","2012","14","11","3004","","10.1039/c2gc36089f","","","0.71073","MoKα","","0.0673","0.0406","","","0.0946","0.1025","","","","","","1.049","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7208851","8.5482","0.001","10.7471","0.0012","9.6662","0.0011","90","","90","","90","","888.02","0.18","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C40 H40 N8 -","4","1","","Zhang, Chun; Zhang, Liangren; Jiao, Ning","Catalyst free approach to benzimidazoles using air as the oxidant at room temperature","Green Chemistry","2012","14","12","3273","","10.1039/c2gc36416f","","","0.71073","MoKα","","0.0583","0.0475","","","0.1148","0.1237","","","","","","1.073","","","","has coordinates","301863","2025-08-22","13:07:30",""
"7209295","6.3","","6.3","","6.3","","90","","90","","90","","250.047","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Silver bismuth lead telluride (0.34/0.34/0.32/1)","","- Ag0.34 Bi0.34 Pb0.32 Te -","- Ag0.34 Bi0.34 Pb0.32 Te -","- Ag1.36 Bi1.36 Pb1.28 Te4 -","4","0.0208333","","Pfister, H.; Fleischmann, H.; Folberth, O.G.","Halbleitende Mischkristalle vom Typ Ax/2 B1-x Cx/2 D","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1959","14","","999","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209320","6.457","","6.457","","6.457","","90","","90","","90","","269.211","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Bi Te2 -","- Ag Bi Te2 -","- Ag2 Bi2 Te4 -","2","0.0104167","","Folberth, O.G.; Pfister, H.; Fleischmann, H.","Halbleitende Mischkristalle vom Typ Ax/2B1-xCx/2D","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1959","14","","999","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7214192","8.24781","0.00015","8.24781","0.00015","8.24781","0.00015","90","","90","","90","","561.069","0.018","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.88)","","- Li Mn2 O3.884 -","- Li Mn2 O3.892 -","- Li8 Mn16 O31.136 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214193","8.24709","0.00012","8.24709","0.00012","8.24709","0.00012","90","","90","","90","","560.922","0.014","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.89)","","- Li Mn2 O3.892 -","- Li Mn2 O3.884 -","- Li8 Mn16 O31.072 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214194","8.2426","0.00014","8.2426","0.00014","8.2426","0.00014","90","","90","","90","","560.006","0.016","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.92)","","- Li Mn2 O3.92 -","- Li Mn2 O3.92 -","- Li8 Mn16 O31.36 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214195","8.2406","0.00015","8.2406","0.00015","8.2406","0.00015","90","","90","","90","","559.598","0.018","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.96)","","- Li Mn2 O3.96 -","- Li Mn2 O3.96 -","- Li8 Mn16 O31.68 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214196","8.24648","0.00011","8.24648","0.00011","8.24648","0.00011","90","","90","","90","","560.797","0.013","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.93)","","- Li Mn2 O3.928 -","- Li Mn2 O3.928 -","- Li8 Mn16 O31.424 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","13","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","303312","2025-11-16","21:07:21",""
"7214197","8.24334","0.00011","8.24334","0.00011","8.24334","0.00011","90","","90","","90","","560.157","0.013","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.912)","","- Li Mn2 O3.912 -","- Li Mn2 O3.912 -","- Li8 Mn16 O31.296 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214198","8.24075","0.00007","8.24075","0.00007","8.24075","0.00007","90","","90","","90","","559.629","0.008","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.94)","","- Li Mn2 O3.944 -","- Li Mn2 O3.944 -","- Li8 Mn16 O31.552 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","13","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","303312","2025-11-16","21:07:21",""
"7214199","8.23803","0.00008","8.23803","0.00008","8.23803","0.00008","90","","90","","90","","559.075","0.009","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.96)","","- Li Mn2 O3.96 -","- Li Mn2 O3.96 -","- Li8 Mn16 O31.68 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214200","8.23785","0.00013","8.23785","0.00013","8.23785","0.00013","90","","90","","90","","559.038","0.015","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.98)","","- Li Mn2 O3.984 -","- Li Mn2 O3.984 -","- Li8 Mn16 O31.872 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214201","8.24165","0.00012","8.24165","0.00012","8.24165","0.00012","90","","90","","90","","559.812","0.014","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.96)","","- Li Mn2 O3.96 -","- Li Mn2 O3.956 -","- Li8 Mn16 O31.648 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214202","8.23845","0.00013","8.23845","0.00013","8.23845","0.00013","90","","90","","90","","559.161","0.015","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.02/1.98/3.88)","","- Li1.022 Mn1.978 O3.884 -","- Li1.022 Mn1.978 O3.884 -","- Li8.176 Mn15.824 O31.072 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214203","8.23222","0.00005","8.23222","0.00005","8.23222","0.00005","90","","90","","90","","557.893","0.006","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.04/1.96/3.96)","","- Li1.042 Mn1.958 O3.956 -","- Li1.042 Mn1.958 O3.956 -","- Li8.336 Mn15.664 O31.648 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","13","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","303312","2025-11-16","21:07:21",""
"7214204","8.21393","0.00015","8.21393","0.00015","8.21393","0.00015","90","","90","","90","","554.183","0.018","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.09/1.91/3.99)","","- Li1.09 Mn1.91 O3.992 -","- Li1.09 Mn1.91 O3.992 -","- Li8.72 Mn15.28 O31.936 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214205","8.24118","0.0001","8.24118","0.0001","8.24118","0.0001","90","","90","","90","","559.717","0.012","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1/2/3.9)","","- Li Mn2 O3.9 -","- Li Mn2 O3.9 -","- Li8 Mn16 O31.2 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214206","8.24185","0.00007","8.24185","0.00007","8.24185","0.00007","90","","90","","90","","559.853","0.008","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.02/1.98/3.94)","","- Li1.022 Mn1.978 O3.94 -","- Li1.022 Mn1.978 O3.94 -","- Li8.176 Mn15.824 O31.52 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214207","8.22889","0.00011","8.22889","0.00011","8.22889","0.00011","90","","90","","90","","557.216","0.013","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.03/1.97/3.98)","","- Li1.034 Mn1.966 O3.976 -","- Li1.034 Mn1.966 O3.976 -","- Li8.272 Mn15.728 O31.808 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214208","8.21687","0.00012","8.21687","0.00012","8.21687","0.00012","90","","90","","90","","554.778","0.014","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.07/1.93/3.98)","","- Li1.068 Mn1.932 O3.984 -","- Li1.068 Mn1.932 O3.984 -","- Li8.544 Mn15.456 O31.872 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214209","8.21218","0.00005","8.21218","0.00005","8.21218","0.00005","90","","90","","90","","553.829","0.006","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.08/1.92/4)","","- Li1.077 Mn1.923 O4 -","- Li1.077 Mn1.923 O4 -","- Li8.616 Mn15.384 O32 -","8","0.0416667","","Yonemura, M.; Yamada, A.; Kobayashi, H.; Tabuchi, M.; Kamiyama, T.; Kawamoto, Y.; Kanno, R.","Synthesis, structure and phase relationship in lithium manganese oxide spinel","Journal of Materials Chemistry","2004","14","","1948","1958","10.1039/b314810f","","","","","","","","","","","","","","","","","","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214621","11.2689","0.0005","11.2689","0.0005","29.897","0.002","90","","90","","90","","3796.6","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H20 N4 Ni2 O14 -","- C36 H20 N4 Ni2 O14 -","- C144 H80 N16 Ni8 O56 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.099","0.0892","","","0.2414","0.249","","","","","","1.108","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214622","21.412","0.013","9.512","0.005","29.262","0.013","90","","126.59","0.03","90","","4785","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H64 Cu4 N8 O40 -","- C104 H64 Cu4 N8 O40 -","- C208 H128 Cu8 N16 O80 -","2","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.0912","0.0817","","","0.227","0.2385","","","","","","1.09","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214623","29.6634","0.0005","9.0656","0.0002","24.3568","0.0005","90","","100.831","0.002","90","","6433.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H38 Co3 N6 O30 -","- C62 H38 Co3 N6 O30 -","- C248 H152 Co12 N24 O120 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.0471","0.0349","","","0.1091","0.113","","","","","","1.043","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214624","14.44","0.0012","20.3899","0.0018","19.5001","0.0017","90","","108.521","0.002","90","","5444.1","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H62 F2 N6 O23 Zn2 -","- C54 H62.002 F2 N6 O23 Zn2 -","- C216 H248.008 F8 N24 O92 Zn8 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.168","0.083","","","0.2055","0.2534","","","","","","0.994","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214625","9.4178","0.0003","15.4572","0.0006","18.2451","0.0009","95.399","0.004","91.352","0.004","90.312","0.003","2643.39","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H67 N4 O25.5 Zn4 -","- C36 H55 N4 O25.5 Zn4 -","- C72 H110 N8 O51 Zn8 -","2","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.079","0.0526","","","0.1515","0.1619","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214626","15.5337","0.0004","9.8251","0.0003","16.7644","0.0005","90","","90","","90","","2558.59","0.13","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H36 Co2 N2 O14 -","- C18 Co2 N2 O14 -","- C72 Co8 N8 O56 -","4","","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0487","0.0417","","","0.1309","0.1368","","","","","","1.123","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214627","9.69","0.0006","14.4331","0.0008","29.8442","0.0008","90","","90","","90","","4173.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H22 Mn2 N2 O17 P2 -","- C9 H22 Mn2 N2 O17 P2 -","- C72 H176 Mn16 N16 O136 P16 -","8","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0486","0.0382","","","0.0859","0.0902","","","","","","1.083","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214628","13.884","0.003","12.146","0.002","16.327","0.003","90","","114.5","0.03","90","","2505.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12.8 N2 O7.4 Zn -","- C8 H12 N2 O7.4 Zn -","- C64 H96 N16 O59.2 Zn8 -","8","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0441","0.0362","","","0.0995","0.1041","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214629","11.6964","0.0008","17.7522","0.0004","22.794","0.0012","90","","90","","90","","4732.9","0.4","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N1-hexylthymine","1-hexyl-5-methylpyrimidine-2,4(1H,3H)-dione","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C176 H288 N32 O32 -","16","2","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","","0.71073","","","0.1085","0.0599","","","0.1795","0.1982","","","","","","1.05","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214630","6.685","0.001","8.004","0.003","12.907","0.006","89.62","0.05","84.5","0.03","81.14","0.03","679.2","0.4","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C10 H18 Br N3 O -","- C10 H18 Br N3 O -","- C20 H36 Br2 N6 O2 -","2","1","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","x-ray","0.71073","MoKα","","0.1309","0.0547","","","0.1126","0.1344","","","","","","1.016","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214631","7.4416","0.0002","28.1838","0.0011","25.9487","0.0006","90","","91.616","0.003","90","","5440.1","0.3","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H70 Cl6 Hg2 N12 O4 -","- C40 H70 Cl6 Hg2 N12 O4 -","- C160 H280 Cl24 Hg8 N48 O16 -","4","1","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","","0.71073","","","0.0896","0.052","","","0.1555","0.1652","","","","","","0.972","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214632","22.18","0.003","22.18","0.003","43.666","0.009","90","","90","","90","","21482","6","291","2","291","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C201 H288 Cd7 N18 O83 -","- C172 H192 Cd7 N6 O72 -","- C688 H768 Cd28 N24 O288 -","4","0.25","","Xu, Heng; Bao, Weiwei; Xu, Yan; Liu, Xiaolan; Shen, Xuan; Zhu, Dunru","An unprecedented 3D/3D hetero-interpenetrated MOF built from two different nodes, chemical composition, and topology of networks","CrystEngComm","2012","14","18","5720","","10.1039/c2ce25739d","","","0.71073","MoKα","","0.0588","0.0514","","","0.1225","0.1262","","","","","","1.059","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214633","34.7123","0.0006","6.19971","0.00011","7.24791","0.00013","90","","91.5454","0.0007","90","","1559.23","0.05","213.1","","213.1","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0395","","","","0.1172","","","","","","1.116","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214634","38.2177","0.0007","6.1954","0.00011","7.19732","0.00013","90","","92.0811","0.0007","90","","1703.01","0.05","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Br N O2 -","- C19 H18 Br N O2 -","- C76 H72 Br4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0387","","","","0.1096","","","","","","1.207","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214635","37.4749","0.0007","6.19581","0.00011","7.19661","0.00013","90","","92.8197","0.0008","90","","1668.94","0.05","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Cl N O2 -","- C19 H18 Cl N O2 -","- C76 H72 Cl4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.042","","","","0.1111","","","","","","1.061","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214636","35.5961","0.0009","6.21689","0.00018","7.1819","0.0002","90","","92.5391","0.0014","90","","1587.77","0.08","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 F N O2 -","- C19 H18 F N O2 -","- C76 H72 F4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0619","","","","0.1914","","","","","","1.109","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214637","5.96084","0.00015","12.8706","0.0002","22.8019","0.0004","90","","90","","90","","1749.35","0.06","213.1","","213.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 I N O2 -","- C19 H18 I N O2 -","- C76 H72 I4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0625","","","","0.1574","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214638","4.4201","0.0004","4.4201","0.0002","37.487","0.003","90","0.005","90","0.006","120","0.007","634.27","0.09","291.4","","291.4","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- B Be2 F2 K O3 -","- B Be2 F2 K O3 -","- B6 Be12 F12 K6 O18 -","6","0.166667","","Sang, Yuanhua; Yu, Dehong; Avdeev, Maxim; Piltz, Ross; Sharma, Neeraj; Ye, Ning; Liu, Hong; Wang, Jiyang","X-ray and neutron diffraction studies of flux and hydrothermally grown nonlinear optical material KBe2BO3F2","CrystEngComm","2012","14","18","6079","","10.1039/c2ce25828e","","","0.7107","MoKα","","0.0366","0.0312","","","0.0411","0.0417","","","","2.5","2.5","2.39","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214639","7.3729","0.0004","11.2139","0.0004","20.1034","0.0008","90","","90","","90","","1662.13","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cu N3 O3 -","- C17 H21 Cu N3 O3 -","- C68 H84 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0611","0.0449","","","0.0824","0.0892","","","","","","0.974","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214640","7.3456","0.0005","11.2047","0.0008","20.0815","0.0015","90","","90","","90","","1652.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cu N3 O3 -","- C17 H21 Cu N3 O3 -","- C68 H84 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0297","0.0281","","","0.0718","0.0727","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214641","9.126","0.005","13.963","0.005","14.834","0.005","90","","103.643","0.005","90","","1836.9","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cu N3 O3 -","- C18 H23 Cu N3 O3 -","- C72 H92 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0483","0.0336","","","0.0904","0.0945","","","","","","1.062","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214642","23.334","0.016","9.933","0.005","8.938","0.005","90","","112.509","0.007","90","","1914","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 O10 P2 Zn2 -","- C14 H18 N2 O10 P2 Zn2 -","- C56 H72 N8 O40 P8 Zn8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D metal phosphonates with bright tunable luminescence for the reversible sensing of nitrobenzene","CrystEngComm","2012","14","18","5761","","10.1039/c2ce25608h","","","0.71073","MoKα","","0.0348","0.0305","","","0.0758","0.0782","","","","","","1.088","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214643","23.255","0.005","9.9714","0.0017","8.808","0.0018","90","","112.174","0.009","90","","1891.4","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co2 N2 O10 P2 -","- C14 H18 Co2 N2 O10 P2 -","- C56 H72 Co8 N8 O40 P8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D metal phosphonates with bright tunable luminescence for the reversible sensing of nitrobenzene","CrystEngComm","2012","14","18","5761","","10.1039/c2ce25608h","","","0.71073","MoKα","","0.0611","0.0465","","","0.1421","0.1833","","","","","","1.201","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214644","14.0511","0.0008","14.0511","0.0008","22.6054","0.0016","90","","90","","120","","3865.1","0.4","130","2","130","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C38.32 H43.32 B4 Cu4 F16 N13 O0.33 -","- C38.32 H43.32 B4 Cu4 F16 N13 O0.33 -","- C114.96 H129.96 B12 Cu12 F48 N39 O0.99 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0273","0.0272","","","0.0722","0.0723","","","","","","1.106","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214645","14.448","0.014","14.448","0.014","21.25","0.02","90","","90","","120","","3842","6","119","2","119","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C36.33 H42 Cl4 Cu4 N12 O16.33 -","- C36.33 H42 Cl4 Cu4 N12 O16.33 -","- C108.99 H126 Cl12 Cu12 N36 O48.99 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0574","0.0494","","","0.1252","0.1293","","","","","","1.122","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214646","14.3797","0.0015","14.3797","0.0015","23.083","0.003","90","","90","","120","","4133.5","0.8","120","2","120","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C37 H30 Cu4 F24 N14 O3 P4 -","- C37 H35.94 Cu4 F24 N14 O3 P4 -","- C111 H107.82 Cu12 F72 N42 O9 P12 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0639","0.0567","","","0.1198","0.1231","","","","","","1.076","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214647","12.9479","0.0009","12.9479","0.0009","40.274","0.003","90","","90","","90","","6751.9","0.8","120","1","120","1","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C48 H56 B4 Cu4 F16 N16 O8 -","- C48 H44 B4 Cu4 F16 N16 O8 -","- C192 H176 B16 Cu16 F64 N64 O32 -","4","0.25","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.71073","MoKα","","0.0442","0.042","","","0.1157","0.1179","","","","","","1.046","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214648","21.3405","0.0005","30.1083","0.0006","30.8273","0.0007","90","","90","","90","","19807.3","0.8","150","2","150","2","","","","","","","","7","I m m m","-I 2 2","71","((CH3)4N)4 ((Co4Cl(C40H44O4S4))4 (C8H4O4)8","","","- C240 H256 Cl4 Co16 N4 O48 S16 -","- C224 H208 Cl4 Co16 O48 S16 -","- C448 H416 Cl8 Co32 O96 S32 -","2","0.125","","Liu, Mei; Liao, Wuping","Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids","CrystEngComm","2012","14","18","5727","","10.1039/c2ce25692d","","","0.71073","MoKα","","0.1248","0.0797","","","0.2152","0.2458","","","","","","1.017","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214649","30.1467","0.0013","30.1467","0.0013","21.2135","0.0013","90","","90","","90","","19279.3","1.7","100","2","100","2","","","","","","","","7","I 4/m m m","-I 4 2","139","((CH3)4N)4 ((Co4Cl(C40H44O4S4))4 (C7NH3O4)8","","","- C232 H248 Cl4 Co16 N12 O48 S16 -","- C216 H200 Cl4 Co16 N8 O48 S16 -","- C432 H400 Cl8 Co32 N16 O96 S32 -","2","0.0625","","Liu, Mei; Liao, Wuping","Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids","CrystEngComm","2012","14","18","5727","","10.1039/c2ce25692d","","","0.71073","MoKα","","0.0823","0.0509","","","0.1235","0.1348","","","","","","1.06","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214650","11.6208","0.0008","17.0306","0.0011","19.802","0.0013","97.985","0.001","99.959","0.001","101.232","0.001","3725.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(((Co4Cl2(H2O)2(C40H44O4S4))((Co4Cl2(H2O)2 (C40H45O4S4))Cl) (C8H4O4)2","","","- C96 H105 Cl5 Co8 O20 S8 -","- C96 H96 Cl5 Co8 O20 S8 -","- C96 H96 Cl5 Co8 O20 S8 -","1","0.5","","Liu, Mei; Liao, Wuping","Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids","CrystEngComm","2012","14","18","5727","","10.1039/c2ce25692d","","","0.71073","MoKα","","0.0856","0.0491","","","0.1124","0.1224","","","","","","0.879","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214651","8.8952","0.0008","12.8953","0.0012","11.1052","0.001","90","","96.686","0.002","90","","1265.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 F6 N3 O2 P -","- C8 H10 F6 N3 O2 P -","- C32 H40 F24 N12 O8 P4 -","4","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N–H⋯O and C–H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0494","0.0356","","","0.0887","0.0954","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214652","11.6815","0.0004","12.4142","0.0005","18.5652","0.0007","90","","100.784","0.001","90","","2644.71","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 F3 N3 O5 S -","- C9 H10 F3 N3 O5 S -","- C72 H80 F24 N24 O40 S8 -","8","2","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N–H⋯O and C–H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0483","0.035","","","0.0816","0.088","","","","","","1.024","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214653","9.8176","0.0005","17.2416","0.0007","30.5102","0.0014","90","","90","","90","","5164.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H30 B N3 O2 -","- C32 H30 B N3 O2 -","- C256 H240 B8 N24 O16 -","8","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N–H⋯O and C–H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0663","0.0438","","","0.1281","0.1697","","","","","","1.083","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214654","5.036","0.0001","28.8208","0.0007","6.9016","0.0002","90","","109.029","0.001","90","","946.97","0.04","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H10 Br N3 O2 -","- C8 H10 Br N3 O2 -","- C32 H40 Br4 N12 O8 -","4","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N–H⋯O and C–H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0487","0.0464","","","0.1194","0.1331","","","","","","1.115","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214655","29.95","0.012","4.995","0.002","22.828","0.01","90","","90","","90","","3415","2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C144 H120 Cl8 N16 O16 S8 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0847","0.0658","","","0.1599","0.2089","","","","","","1.12","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214656","8.052","0.0016","10.412","0.002","10.455","0.002","85.62","0.03","83.17","0.03","80.56","0.03","857.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C36 H30 Cl2 N4 O4 S2 -","2","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0487","0.039","","","0.128","0.1508","","","","","","0.938","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214657","20.9182","0.0015","12.4873","0.0008","12.8222","0.0008","90","","90","","90","","3349.3","0.4","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Cl N2 O2.5 S -","- C18 H16 Cl N2 O2.4975 S -","- C144 H128 Cl8 N16 O19.98 S8 -","8","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0417","0.0364","","","0.0864","0.0888","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214658","10.889","0.002","12.359","0.003","12.803","0.003","90","","93.496","0.007","90","","1719.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl N2 O2.69 S -","- C18 H15 Cl N2 O2.694 S -","- C72 H60 Cl4 N8 O10.776 S4 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0649","0.047","","","0.1076","0.1155","","","","","","1.057","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214659","16.3642","0.0006","17.0748","0.0006","20.623","0.0007","90","","90.226","0.002","90","","5762.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H59 N5 O11 S4 Zn2 -","- C57 H59 N5 O11 S4 Zn2 -","- C228 H236 N20 O44 S16 Zn8 -","4","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71069","MoKα","","0.0733","0.0525","","","0.1326","0.1425","","","","","","1.101","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214660","7.503","0.003","18.281","0.006","19.375","0.006","90","","100.47","0.015","90","","2613.3","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 N O4 S2 Zn -","- C24 H35 N O4 S2 Zn -","- C96 H140 N4 O16 S8 Zn4 -","4","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71069","MoKα","","0.1697","0.0638","","","0.1349","0.1788","","","","","","0.952","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214661","17.1764","0.0008","22.0141","0.0012","9.9312","0.0005","90","","96.535","0.002","90","","3730.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 N O4 S2 Zn -","- C16 H9 N O4 S2 Zn -","- C128 H72 N8 O32 S16 Zn8 -","8","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71073","MoKα","","0.0772","0.042","","","0.101","0.1102","","","","","","0.962","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214662","8.6855","0.0015","12.7109","0.0018","18.183","0.003","91.81","0.008","102.91","0.009","106.455","0.008","1866.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 N4 O6 S2 Zn -","- C40 H36 N4 O6 S2 Zn -","- C80 H72 N8 O12 S4 Zn2 -","2","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71073","MoKα","","0.1068","0.0515","","","0.1012","0.1314","","","","","","1.017","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214663","31.138","0.002","39.627","0.002","22.721","0.002","90","","121.737","0.002","90","","23843","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C201 H257 N15 O32 S12 Zn6 -","- C200.475 H257 N15 O32 S12 Zn6 -","- C801.9 H1028 N60 O128 S48 Zn24 -","4","0.5","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71069","MoKα","","0.0876","0.0542","","","0.1488","0.1611","","","","","","1.078","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214664","12.03","0.02","12.18","0.02","15.34","0.03","97.25","0.03","102.28","0.03","110.37","0.03","2009","6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H58 Cu2 Mo12 N12 O54 Si -","- C42 H42 Cu2 Mo12 N12 O54 Si -","- C42 H42 Cu2 Mo12 N12 O54 Si -","1","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0907","0.0639","","","0.1561","0.1745","","","","","","1.071","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214665","27.702","0.003","21.936","0.003","14.7045","0.0015","90","","91.589","0.002","90","","8932.1","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H84 Cu2 Mo12 N12 O61 Si -","- C48 H46 Cu2 Mo12 N12 O61 Si -","- C192 H184 Cu8 Mo48 N48 O244 Si4 -","4","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.1128","0.0672","","","0.1668","0.1841","","","","","","1.08","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214666","27.885","0.003","21.858","0.003","14.8631","0.0017","90","","90.45","0.002","90","","9058.9","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H78 Cu2 N12 O58 Si W12 -","- C48 H46 Cu2 N12 O58 Si W12 -","- C192 H184 Cu8 N48 O232 Si4 W48 -","4","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0901","0.0488","","","0.1109","0.1226","","","","","","1.011","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214667","11.3637","0.0009","12.9558","0.0011","16.8671","0.0014","100.639","0.001","108.695","0.001","91.221","0.001","2303.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H86 Cu2 Mo12 N12 O56 Si -","- C54 H66 Cu2 Mo12 N12 O56 Si -","- C54 H66 Cu2 Mo12 N12 O56 Si -","1","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0431","0.0396","","","0.1024","0.1047","","","","","","1.097","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214668","11.38","0.002","13.015","0.002","16.866","0.003","101.322","0.002","108.603","0.002","90.544","0.002","2314.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H86 Cu2 N12 O56 Si W12 -","- C54 H66 Cu2 N12 O56 Si W12 -","- C54 H66 Cu2 N12 O56 Si W12 -","1","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0552","0.0405","","","0.0987","0.1078","","","","","","1.011","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214669","9.851","0.004","14.822","0.006","20.233","0.009","73.448","0.005","82.987","0.005","77.721","0.005","2761","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 Br12 Cu12 N12 O39 Sm4 -","- C72 H48 Br12 Cu12 N12 O39 Sm4 -","- C72 H48 Br12 Cu12 N12 O39 Sm4 -","1","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.0763","0.0536","","","0.1271","0.1395","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214670","9.8257","0.0014","14.79","0.002","20.182","0.003","73.386","0.002","82.825","0.002","77.75","0.002","2740","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 Br12 Cu12 Eu4 N12 O39 -","- C72 H48 Br12 Cu12 Eu4 N12 O39 -","- C72 H48 Br12 Cu12 Eu4 N12 O39 -","1","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.078","0.0435","","","0.0956","0.1086","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214671","9.8116","0.0007","14.7661","0.001","20.1753","0.0014","73.213","0.001","82.541","0.001","77.748","0.001","2727.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 Br12 Cu12 N12 O39 Tb4 -","- C72 H48 Br12 Cu12 N12 O39 Tb4 -","- C72 H48 Br12 Cu12 N12 O39 Tb4 -","1","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.048","0.0338","","","0.0789","0.0848","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214672","9.9176","0.0008","32.983","0.003","12.9111","0.0009","90","","90","","90","","4223.4","0.6","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H16 Br2 Cu2 Gd N2 O10 -","- C13 H8 Br2 Cu2 Gd N2 O10 -","- C104 H64 Br16 Cu16 Gd8 N16 O80 -","8","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.115","0.062","","","0.1116","0.1268","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214673","9.8237","0.0017","32.797","0.006","12.751","0.002","90","","90","","90","","4108.2","1.2","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H16 Br2 Cu2 Er N2 O10 -","- C13 H8 Br2 Cu2 Er N2 O10 -","- C104 H64 Br16 Cu16 Er8 N16 O80 -","8","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.1221","0.0868","","","0.1879","0.2021","","","","","","1.248","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214674","18.034","0.002","15.374","0.002","7.5997","0.001","90","","94.181","0.001","90","","2101.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br3 Cu3 N2 O7 Tb -","- C14 H11 Br3 Cu3 N2 O7 Tb -","- C56 H44 Br12 Cu12 N8 O28 Tb4 -","4","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.08","0.0714","","","0.1971","0.2016","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214675","16.4842","0.0017","9.8497","0.001","17.499","0.0018","90","","100.952","0.002","90","","2789.5","0.5","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C36 H32 Br7 Cu7 Er2 N6 O16 -","- C36 H24 Br7.0002 Cu7 Er2 N6 O16 -","- C72 H48 Br14.0004 Cu14 Er4 N12 O32 -","2","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.1029","0.052","","","0.1389","0.1626","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214676","9.5388","0.0011","12.6589","0.0014","21.4","0.002","90","","98.539","0.001","90","","2555.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 Cu3 Gd N3 O9 -","- C18 H12 Cl3 Cu3 Gd N3 O9 -","- C72 H48 Cl12 Cu12 Gd4 N12 O36 -","4","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.0601","0.0433","","","0.0991","0.1084","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214677","6.4001","0.0003","17.2148","0.0009","18.6406","0.0009","90","","90","","90","","2053.75","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cd3 O20 -","- C12 H16 Cd3 O20 -","- C48 H64 Cd12 O80 -","4","1","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0177","0.0174","","","0.04","0.0402","","","","","","1.058","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214678","13.7005","0.0014","15.6523","0.0016","9.4417","0.001","90","","90","","90","","2024.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H42 Cd6 O39 -","- C16 H42 Cd6 O39 -","- C32 H84 Cd12 O78 -","2","0.5","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0472","0.0431","","","0.0935","0.095","","","","","","1.054","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214679","7.6393","0.0008","11.5121","0.0012","9.0174","0.001","90","","99.305","0.001","90","","782.59","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 Cd2 O16 -","- C8 H16 Cd2 O16 -","- C16 H32 Cd4 O32 -","2","1","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0197","0.0184","","","0.0414","0.042","","","","","","1.013","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214680","5.3463","0.0002","11.3075","0.0005","19.94","0.001","90","","98.087","0.003","90","","1193.45","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.1098","0.0461","","","0.1014","0.1285","","","","","","0.966","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214681","5.1973","0.0003","7.085","0.0004","16.4114","0.001","90","","101.233","0.004","90","","592.74","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α - picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.0524","0.0376","","","0.0896","0.0968","","","","","","1.072","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214682","5.2831","0.0004","11.2901","0.0009","19.8654","0.0017","90","","98.2809","0.0017","90","","1172.55","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.0485","0.0361","","","0.0876","0.094","","","","","","1.024","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214683","5.1578","0.0004","7.0249","0.0005","16.2192","0.0011","90","","100.728","0.005","90","","577.4","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α - picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.0535","0.0384","","","0.0896","0.0985","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214684","30.4423","0.0012","12.394","0.0004","21.4045","0.0008","90","","128.822","0.001","90","","6292","0.4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N26 O28 -","- C54 H80 N26 O28 -","- C216 H320 N104 O112 -","4","0.5","","Sun, Xuzhuo; Li, Bo; Xia, Chunlan; Zhou, Xiaohai; Zhang, Haibo","“Liquid-like” type (COO−)2(H2O)10 anion water clusters in three-dimensional supramolecular structure of cucurbit[6]uril","CrystEngComm","2012","14","24","8525","","10.1039/c2ce25444a","","","0.71073","MoKα","","0.0789","0.0635","","","0.1831","0.1949","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214685","20.512","0.005","9.9435","0.0019","26.994","0.005","90","","101.945","0.011","90","","5387","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co(L)(PIN))-dioxane-H2O","[Co(L)(PIN)]-dioxane-H2O","","- C28 H26 Co N4 O8 -","- C27.998 H25.996 Co N4 O7.999 -","- C223.984 H207.968 Co8 N32 O63.992 -","8","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.0523","0.0435","","","0.1019","0.1058","","","","","","1.052","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214686","20.57","0.004","9.901","0.002","27.211","0.008","90","","108.526","0.009","90","","5255","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co(L)(DPE))-1/2(DPE)","[Co(L)(DPE)]-1/2(DPE)","","- C31 H22 Co N4 O4 -","- C31 H22 Co N4 O4 -","- C248 H176 Co8 N32 O32 -","8","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.0527","0.0438","","","0.1126","0.117","","","","","","1.077","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214687","52.349","0.008","20.421","0.004","9.9111","0.0015","90","","90","","90","","10595","3","200","","200","","","","","","","","","5","F d d 2","F 2 -2d","43","(Co(L)(BPE))-4(H2O)","[Co(L)(BPE)]-4(H2O)","","- C25 H27 Co N3 O8 -","- C25 H19 Co N3 O8.001 -","- C400 H304 Co16 N48 O128.016 -","16","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.037","0.0341","","","0.0879","0.0889","","","","","","1.077","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214688","23.7772","0.0014","6.8025","0.0004","13.4175","0.0008","90","","104.907","0.001","90","","2097.2","0.2","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0698","0.0619","","","0.1558","0.1624","","","","","","1.067","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214689","8.712","0.0007","10.1166","0.0008","10.2478","0.0008","90.241","0.001","107.133","0.001","92.433","0.001","862.21","0.12","115","2","115","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.049","0.0443","","","0.1177","0.1215","","","","","","1.053","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214690","11.1508","0.0007","7.3171","0.0005","24.5176","0.0016","90","","90","","90","","2000.4","0.2","115","2","115","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H18 F6 O4 -","- C23 H18 F6 O4 -","- C92 H72 F24 O16 -","4","0.5","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0436","0.0383","","","0.0981","0.1017","","","","","","1.051","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214691","11.2984","0.001","7.2275","0.0006","24.573","0.002","90","","90","","90","","2006.6","0.3","115","2","115","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H15 Cl F6 O4 -","- C22 H15 Cl F6 O4 -","- C88 H60 Cl4 F24 O16 -","4","0.5","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0475","0.0432","","","0.1037","0.1063","","","","","","1.089","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214692","15.209","0.007","15.992","0.008","18.104","0.009","74.828","0.007","74.684","0.007","66.386","0.007","3830","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Al Cl4 Cu9 N24 O44 W12 -","- C144 H96 Al Cl4 Cu9 N24 O44 W12 -","- C144 H96 Al Cl4 Cu9 N24 O44 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1872","0.1136","","","0.2784","0.3242","","","","","","1.047","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214693","15.261","0.003","16.096","0.003","18.167","0.004","74.56","0.03","74.7","0.03","66.06","0.03","3869.5","1.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H112 B Br4 Cu9 N24 O48 W12 -","- C144 H96 B Br4 Cu9 N24 O48 W12 -","- C144 H96 B Br4 Cu9 N24 O48 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.0827","0.0612","","","0.15","0.1608","","","","","","1.088","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214694","15.2519","0.0015","16.1068","0.0016","18.1966","0.0018","74.531","0.001","74.733","0.001","66.33","0.001","3883.5","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H108 Al Br4 Cu9 N24 O46 W12 -","- C144 H96 Al Br4 Cu9 N24 O46 W12 -","- C144 H96 Al Br4 Cu9 N24 O46 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1166","0.0652","","","0.1589","0.1887","","","","","","1.095","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214695","15.2219","0.0015","16.0271","0.0016","18.164","0.0019","74.681","0.002","74.614","0.002","66.136","0.001","3844.9","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Br4 Cu9 N24 O44 P W12 -","- C144 H96 Br4 Cu9 N24 O44 P W12 -","- C144 H96 Br4 Cu9 N24 O44 P W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1013","0.06","","","0.1583","0.1807","","","","","","1.05","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214696","15.621","0.004","17.01","0.004","18.068","0.005","63.185","0.004","67.472","0.004","76.774","0.004","3948.6","1.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H102 B Cu8 I3 N24 O43 W12 -","- C144 H96 B Cu8 I3 N24 O43 W12 -","- C144 H96 B Cu8 I3 N24 O43 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1988","0.0884","","","0.1929","0.2553","","","","","","1.05","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214697","15.705","0.003","17.062","0.003","18.009","0.004","63.48","0.03","67.83","0.03","77.24","0.03","3990.7","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H102 Cu8 I3 N24 O43 P W12 -","- C144 H96 Cu8 I3 N24 O43 P W12 -","- C144 H96 Cu8 I3 N24 O43 P W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1565","0.0925","","","0.2472","0.2993","","","","","","1.053","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214698","14.917","0.003","16.481","0.003","17.669","0.003","84.39","0.03","83.8","0.03","65.04","0.03","3908.6","1.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H96 Cl7 Cu13 N24 O40 P W12 -","- C144 H96 Cl7 Cu13 N24 O40 P W12 -","- C144 H96 Cl7 Cu13 N24 O40 P W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1443","0.0935","","","0.2589","0.3003","","","","","","1.062","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214699","3.7358","0.0007","38.823","0.008","16.826","0.004","90","","95.27","0.03","90","","2430","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 Cl2 Cu2 N2 -","- C12 H8 Cl2 Cu2 N2 -","- C96 H64 Cl16 Cu16 N16 -","8","2","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1266","0.0551","","","0.1113","0.1459","","","","","","1.082","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214700","10.679","0.002","9.667","0.0019","14.845","0.003","90","","106.97","0.03","90","","1465.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 ethenzamide and salicylic acid cocrystal","cocrystal of ethenzamide with salicylic acid","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0845","0.0731","","","0.1845","0.195","","","","","","1.176","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214701","7.7402","0.0015","8.3181","0.0017","13.216","0.003","76.02","0.03","79.85","0.03","84.69","0.03","811.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1:1 cocrystal of ethenzamide and 2-chloro-4-nitrobenzoic acid","1:1 cocrystal of ethenzamide and 2-chloro-4-nitrobenzoic acid","","- C16 H15 Cl N2 O6 -","- C16 H15 Cl N2 O6 -","- C32 H30 Cl2 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.072","0.0632","","","0.1588","0.166","","","","","","1.176","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214702","13.774","0.003","14.911","0.003","8.0828","0.0016","90","","102.87","0.03","90","","1618.4","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 ethenzamide and vanillic acid cocrystal","cocrystal of ethenzamide with vanillic acid","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C68 H76 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0832","0.0737","","","0.1786","0.1861","","","","","","1.199","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214703","9.057","0.0018","32.685","0.007","8.1857","0.0016","90","","93.39","0.03","90","","2419","0.9","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:1 ethenzamide and 4-aminobenzoic acid cocrystal","2:1 ethenzamide and 4-aminobenzoic acid cocrystal","","- C25 H29 N3 O6 -","- C25 H29 N3 O6 -","- C100 H116 N12 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.1159","0.0864","","","0.179","0.1969","","","","","","1.192","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214704","9.4871","0.0019","6.4682","0.0013","23.703","0.005","90","","98.65","0.03","90","","1438","0.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 ethenzamide and 4-hydroxybenzoic acid","cocrystal of ethenzamide with 4-hydroxybenzoic acid","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0683","0.0598","","","0.1481","0.155","","","","","","1.123","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214705","8.2154","0.0016","8.4654","0.0017","9.3991","0.0019","70.3","0.03","71.82","0.03","65.97","0.03","550.4","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:0.5 ethenzamide and fumaric acid cocrystal","cocrystal of ethenzamide with fumaric acid","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0827","0.0763","","","0.1899","0.196","","","","","","1.154","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214706","9.731","0.0019","11.7","0.002","13.496","0.003","77.46","0.03","81.25","0.03","68.07","0.03","1387.1","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Ag2 N8 O6 S2 -","- C64 H50 Ag2 N8 O6 S2 -","- C64 H50 Ag2 N8 O6 S2 -","1","0.5","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.0309","0.0263","","","0.0626","0.0653","","","","","","1.042","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214707","11.09","0.002","7.422","0.003","22.999","0.002","90","","92.998","0.004","90","","1890.5","0.9","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C100 H72 N16 -","4","2","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71073","MoKα","","0.0702","0.043","","","0.0938","0.1164","","","","","","1.023","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214708","19.434","0.005","5.479","0.005","17.999","0.005","90","0.005","92.686","0.005","90","0.005","1914.4","1.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C100 H72 N16 -","4","1","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.0597","0.0462","","","0.1432","0.1668","","","","","","1.059","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214709","16.667","0.005","22.086","0.005","14.712","0.005","90","0.005","119.395","0.005","90","0.005","4718","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Ag2 Cl2 N8 O8 -","- C50 H36 Ag2 Cl2 N8 O8 -","- C200 H144 Ag8 Cl8 N32 O32 -","4","0.5","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.1095","0.0435","","","0.0839","0.1078","","","","","","0.998","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214710","12.745","0.005","13.971","0.005","21.091","0.005","101.276","0.005","93.521","0.005","114.371","0.005","3312.1","1.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C150 H108 Ag4 N28 O16 -","- C150 H108 Ag4 N28 O16 -","- C150 H108 Ag4 N28 O16 -","1","0.5","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.1054","0.0574","","","0.157","0.1886","","","","","","1.038","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214711","16.2938","0.0004","16.3581","0.0003","16.329","0.0004","90","","90","","90","","4352.26","0.17","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C31 H106 N Na5 O55 P4 -","- C31 H105.98 N Na5 O55 P4 -","- C62 H211.96 N2 Na10 O110 P8 -","2","0.5","","Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers","CrystEngComm","2012","14","24","8541","","10.1039/c2ce26207j","","","0.71073","MoKα","","0.0875","0.0749","","","0.2006","0.2066","","","","","","1.005","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214712","16.1842","0.0004","16.1842","","31.2772","0.0007","90","","90","","90","","8192.4","0.3","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C41 H115 N4 Na9 O56 P4 -","- C41 H115 N4 Na9 O56 P4 -","- C164 H460 N16 Na36 O224 P16 -","4","0.25","","Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers","CrystEngComm","2012","14","24","8541","","10.1039/c2ce26207j","","","0.71073","MoKα","","0.1222","0.0475","","","0.0966","0.104","","","","","","1.005","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214713","14.8815","0.0004","33.7011","0.001","9.4872","0.0002","90","","90","","90","","4758","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-cyclodextrin hexahydrate","cyclohexaamylose hexahydrate, cyclomaltohexaose hexahydrate","","- C36 H72 O36 -","- C36 H72 O36 -","- C144 H288 O144 -","4","1","","Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A.","A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions","CrystEngComm","2012","14","24","8664","","10.1039/c2ce26362a","","","0.71073","MoKα","","0.0749","0.0498","","","0.1101","0.1245","","","","","","1.023","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214714","14.657","0.005","34.253","0.014","9.217","0.004","90","","90","","90","","4627","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-cyclodextrin 6.8-hydrate","cyclohexaamylose 6.8-hydrate, cyclomaltohexaose 6.8-hydrate","","- C36 H73.6 O36.8 -","- C36 H70 O36.8 -","- C144 H280 O147.2 -","4","1","","Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A.","A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions","CrystEngComm","2012","14","24","8664","","10.1039/c2ce26362a","","","0.5","synchrotron","","0.0976","0.0688","","","0.1606","0.1799","","","","","","1.056","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214715","9.2","0.003","9.208","0.003","9.269","0.003","77.953","0.008","86.586","0.011","88.716","0.01","766.5","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H10.5 Al3 N O14 P3 -","- C4 H10.5 Al3 N O14 P3 -","- C8 H21 Al6 N2 O28 P6 -","2","1","","Wu, Jinxiong; Zhao, Huiru; Li, Niu; Luo, Qianqian; He, Chunqian; Guan, Naijia; Xiang, Shouhe","Fluorine-free crystallization of triclinic AlPO4-34","CrystEngComm","2012","14","24","8671","","10.1039/c2ce26335a","","","0.71073","MoKα","","0.035","0.0275","","","0.0827","0.0842","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214716","12.494","0.0006","7.5099","0.0004","22.6355","0.0011","90","","90","","90","","2123.86","0.18","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Cl2 Cu N4 O2 -","- C6 H10 Cl2 Cu N4 O2 -","- C48 H80 Cl16 Cu8 N32 O16 -","8","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.0558","0.0302","","","0.0601","0.0626","","","","","","0.848","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214717","10.0366","0.0007","9.1255","0.0007","10.2985","0.0007","90","","95.832","0.005","90","","938.35","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cu N3 O4 -","- C8 H7 Cu N3 O4 -","- C32 H28 Cu4 N12 O16 -","4","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","1.54184","CU-Kα","","0.033","0.031","","","0.083","0.084","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214718","9.9258","0.0002","12.0698","0.0003","20.1039","0.0006","90","","97.815","0.003","90","","2386.13","0.11","294","0.1","294","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cu N6 O6 -","- C22 H20 Cu N6 O6 -","- C88 H80 Cu4 N24 O24 -","4","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.0919","0.0508","","","0.096","0.1092","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214719","7.6075","0.0002","9.9472","0.0004","20.8858","0.0008","81.235","0.003","82.268","0.003","72.818","0.003","1485.61","0.09","295.5","0.1","295.5","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 Cu N12 O18 -","- C58 H54 Cu N12 O18 -","- C58 H54 Cu N12 O18 -","1","0.5","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.044","0.0374","","","0.0991","0.1032","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214720","8.388","0.002","9.738","0.002","9.873","0.003","108.791","0.004","104.892","0.003","107.59","0.003","669.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 O8 Zn -","- C30 H24 N4 O8 Zn -","- C30 H24 N4 O8 Zn -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0489","0.0441","","","0.1101","0.1133","","","","","","1.07","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214721","6.8644","0.001","10.5393","0.0016","13.217","0.002","100.562","0.002","104.377","0.002","105.7","0.002","858.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Co N6 O16 -","- C30 H40 Co N6 O16 -","- C30 H40 Co N6 O16 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.034","0.0325","","","0.0847","0.0857","","","","","","1.048","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214722","9.913","0.002","19.061","0.004","17.668","0.004","90","","90","","90","","3338.4","1.2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Mn N6 O15 -","- C30 H38 Mn N6 O15 -","- C120 H152 Mn4 N24 O60 -","4","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0467","0.0366","","","0.087","0.0921","","","","","","1.068","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214723","10.1093","0.0011","19.192","0.002","17.7243","0.0019","90","","90","","90","","3438.8","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Cd N6 O15 -","- C30 H38 Cd N6 O15 -","- C120 H152 Cd4 N24 O60 -","4","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0335","0.0274","","","0.065","0.0679","","","","","","1.032","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214724","8.3646","0.0015","9.7689","0.0018","9.8696","0.0018","108.832","0.002","104.851","0.002","107.612","0.002","669.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Co N4 O8 -","- C30 H24 Co N4 O8 -","- C30 H24 Co N4 O8 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0383","0.0369","","","0.0981","0.0995","","","","","","1.087","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214725","8.4711","0.0014","9.7326","0.0015","9.8148","0.0016","107.072","0.002","104.858","0.002","107.854","0.002","680.83","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Mn N4 O8 -","- C30 H24 Mn N4 O8 -","- C30 H24 Mn N4 O8 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0415","0.0394","","","0.1121","0.1141","","","","","","1.074","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214726","8.5836","0.0018","9.657","0.002","9.767","0.002","106.032","0.002","104.659","0.002","107.781","0.003","688.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cd N4 O8 -","- C30 H24 Cd N4 O8 -","- C30 H24 Cd N4 O8 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.031","0.0303","","","0.0763","0.0767","","","","","","1.088","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214727","9.16","0.003","13.013","0.004","13.708","0.004","109.512","0.004","103.074","0.004","91.406","0.004","1491.3","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 O8 Zn -","- C32 H28 N4 O8 Zn -","- C64 H56 N8 O16 Zn2 -","2","1","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0669","0.0529","","","0.1308","0.1404","","","","","","1.051","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214728","9.738","0.002","11.204","0.003","17.566","0.004","90","","102.186","0.003","90","","1873.3","0.8","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H46.5 Co N4 O17.25 -","- C32 H46.5 Co N4 O17.25 -","- C64 H93 Co2 N8 O34.5 -","2","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0631","0.0498","","","0.1132","0.1192","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214729","21.367","0.003","17.381","0.002","18.152","0.003","90","","110.306","0.002","90","","6322.3","1.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Mn N4 O12 -","- C32 H36 Mn N4 O11.75 -","- C256 H288 Mn8 N32 O94 -","8","1","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0696","0.0484","","","0.1191","0.1297","","","","","","1.021","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214730","10.461","0.005","12.371","0.006","16.497","0.008","78.244","0.006","77.713","0.006","74.766","0.006","1987.8","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Cd N5 O13 -","- C38 H44 Cd N5 O13 -","- C76 H88 Cd2 N10 O26 -","2","1","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0437","0.0386","","","0.0938","0.0973","","","","","","1.037","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214731","6.904","0.005","10.602","0.007","13.212","0.009","99.906","0.009","104.443","0.009","105.949","0.009","869.9","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 N6 O16 Zn -","- C30 H40 N6 O16 Zn -","- C30 H40 N6 O16 Zn -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0434","0.0384","","","0.0932","0.0962","","","","","","1.025","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214732","10.9016","0.0015","22.154","0.003","13.0426","0.0019","90","","103.073","0.006","90","","3068.3","0.7","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","(Mn4(H2O)6(L2)(B1)2)-DMF-5(H2O)","[Mn4(H2O)6(L2)(B1)2]-DMF-5(H2O)","","- C52 H61 Mn4 N11 O28 -","- C52 H46 Mn4 N11 O28 -","- C104 H92 Mn8 N22 O56 -","2","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.1053","0.0916","","","0.2463","0.2605","","","","","","1.052","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214733","13.4995","0.0019","12.4212","0.0014","40.153","0.006","90","","108.438","0.006","90","","6387.2","1.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ni2(B1)(L2)2)-13(H2O)","[Ni2(B1)(L2)2]-13(H2O)","","- C56 H78 N14 Ni2 O21 -","- C56 H56 N14 Ni2 O21.165 -","- C224 H224 N56 Ni8 O84.66 -","4","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.0693","0.0513","","","0.1295","0.1406","","","","","","1.045","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214734","13.543","0.002","12.338","0.003","40.267","0.007","90","","108.395","0.007","90","","6385","2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Co2(B1)(L2)2)-13(H2O)","[Co2(B1)(L2)2]-13(H2O)","","- C56 H78 Co2 N14 O21 -","- C56 H52 Co2 N14 O20.547 -","- C224 H208 Co8 N56 O82.188 -","4","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.0839","0.0616","","","0.1592","0.1751","","","","","","1.02","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214735","5.679","0.0008","5.8215","0.0008","10.7072","0.0014","103.502","0.012","93.207","0.011","107.717","0.012","324.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1-Dioxo-tetrahydro-1?6-thiopyran-3-one","","- C5 H8 O3 S -","- C5 H8 O3 S -","- C10 H16 O6 S2 -","2","1","","Shishkin, Oleg V.; Medvediev, Volodymyr V.; Zubatyuk, Roman I.; Shyshkina, Olena O.; Kovalenko, Nataliya V.; Volovenko, Julian M.","Role of different molecular fragments in formation of the supramolecular architecture of the crystal of 1,1-dioxo-tetrahydro-1λ6-thiopyran-3-one","CrystEngComm","2012","14","24","8698","","10.1039/c2ce26332g","","","0.7107","MoKα","","0.0513","0.0403","","","0.0877","0.0987","","","","","","1.055","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214736","12.29","0.005","13.7","0.005","13.798","0.005","108.736","0.005","92.793","0.005","114.369","0.005","1959.3","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H28 Ag7 Mo12 N24 O41 P -","- C40 H28 Ag7 Mo12 N24 O41 P -","- C40 H28 Ag7 Mo12 N24 O41 P -","1","0.5","","Wang, Xiang; Peng, Jun; Alimaje, Kundawlet; Shi, Zhen-Yu","Keggin POM-based 3D framework tuned by silver polymeric motifs: structural influences of tetrazolate functional groups","CrystEngComm","2012","14","24","8509","","10.1039/c2ce26193f","","","0.71069","MoKα","","0.1081","0.0714","","","0.1442","0.1646","","","","","","1.086","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214737","12.453","0.005","13.018","0.005","17.071","0.005","95.864","0.005","91.454","0.005","100.003","0.005","2708.5","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Ag5 Mo12 N14 O41 P -","- C20 H16 Ag5 Mo12 N14 O41 P -","- C40 H32 Ag10 Mo24 N28 O82 P2 -","2","1","","Wang, Xiang; Peng, Jun; Alimaje, Kundawlet; Shi, Zhen-Yu","Keggin POM-based 3D framework tuned by silver polymeric motifs: structural influences of tetrazolate functional groups","CrystEngComm","2012","14","24","8509","","10.1039/c2ce26193f","","","0.71069","MoKα","","0.0721","0.0565","","","0.1549","0.1694","","","","","","1.072","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214738","16.537","0.003","14.403","0.002","7.9836","0.0011","90","","96.63","0.012","90","","1888.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Eu N6 O7 -","- C16 H13 Eu N6 O7 -","- C64 H52 Eu4 N24 O28 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0502","0.0462","","","0.1073","0.1112","","","","","","1.17","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214739","16.557","0.0009","14.4501","0.0007","8.0012","0.0004","90","","96.648","0.004","90","","1901.42","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N6 O7 Sm -","- C16 H13 N6 O7 Sm -","- C64 H52 N24 O28 Sm4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0502","0.0477","","","0.1129","0.1152","","","","","","1.173","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214740","16.5521","0.0008","14.3705","0.0006","7.963","0.0004","90","","96.36","0.004","90","","1882.44","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N6 O7 Tb -","- C16 H13 N6 O7 Tb -","- C64 H52 N24 O28 Tb4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0425","0.0393","","","0.0912","0.0943","","","","","","1.03","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214741","16.512","0.003","14.256","0.002","7.9218","0.0011","90","","96.345","0.012","90","","1853.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Er N6 O7 -","- C16 H13 Er N6 O7 -","- C64 H52 Er4 N24 O28 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0351","0.034","","","0.0874","0.0889","","","","","","1.009","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214742","16.619","0.009","14.447","0.008","8.019","0.004","90","","96.614","0.01","90","","1912.5","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Gd N6 O7 -","- C16 H13 Gd N6 O7 -","- C64 H52 Gd4 N24 O28 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0644","0.0584","","","0.1241","0.1283","","","","","","1.194","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214743","22.461","0.004","8.7532","0.0018","15.471","0.003","90","","102.78","0.03","90","","2966.3","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Dy2 N4 O24 S2 -","- C18 H24 Co Dy2 N4 O24 S2 -","- C72 H96 Co4 Dy8 N16 O96 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0286","0.0265","","","0.0646","0.0654","","","","","","1.004","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214744","15.418","0.003","8.6","0.0017","24.421","0.008","90","","115.58","0.02","90","","2920.7","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Co Er2 N4 O24 S2 -","- C18 H24 Co Er2 N4 O24 S2 -","- C72 H96 Co4 Er8 N16 O96 S8 -","4","1","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0337","0.0275","","","0.059","0.0618","","","","","","0.99","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214745","22.434","0.019","8.783","0.007","15.504","0.012","90","","101.989","0.016","90","","2988","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Eu2 N4 O24 S2 -","- C18 H23.992 Co Eu2 N4 O23.996 S2 -","- C72 H95.968 Co4 Eu8 N16 O95.984 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0317","0.0261","","","0.0559","0.0572","","","","","","0.9","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214746","22.527","0.004","8.7652","0.0018","15.549","0.003","90","","102.57","0.03","90","","2996.6","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Gd2 N4 O24 S2 -","- C18 H24 Co Gd2 N4 O24 S2 -","- C72 H96 Co4 Gd8 N16 O96 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0713","0.0501","","","0.0766","0.0817","","","","","","1.164","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214747","22.4616","0.0018","8.7319","0.0007","15.458","0.0012","90","","102.784","0.001","90","","2956.7","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Ho2 N4 O24 S2 -","- C18 H24 Co Ho2 N4 O24 S2 -","- C72 H96 Co4 Ho8 N16 O96 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0222","0.0194","","","0.0458","0.047","","","","","","1.051","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214748","22.799","0.015","8.68","0.02","15.656","0.014","90","","102.364","0.007","90","","3026","8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N4 O24 Pr2 S2 -","- C18 H24 Co N4 O24 Pr2 S2 -","- C72 H96 Co4 N16 O96 Pr8 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0246","0.0201","","","0.0432","0.0442","","","","","","0.92","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214749","22.805","0.006","8.53","0.002","15.48","0.005","90","","102.424","0.005","90","","2940.8","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N4 O24 S2 Tb2 -","- C18 H24 Co N4 O24 S2 Tb2 -","- C72 H96 Co4 N16 O96 S8 Tb8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0219","0.0203","","","0.052","0.0527","","","","","","1.039","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214750","18.5924","0.0008","18.5924","0.0008","17.9643","0.0009","90","","90","","120","","5377.9","0.4","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C24 H24 N6 O14 Zn3 -","- C24 H5 N6 O14 Zn3 -","- C144 H30 N36 O84 Zn18 -","6","0.5","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.0849","0.0699","","","0.1766","0.187","","","","","","1.087","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214751","18.06","0.012","12.104","0.008","31.65","0.02","90","","90.48","0.015","90","","6918","8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 N3 O22 Zn5 -","- C39 H30 N3 O22 Zn5 -","- C156 H120 N12 O88 Zn20 -","4","1","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.1403","0.1136","","","0.2915","0.3191","","","","","","0.994","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214752","12.906","0.004","12.606","0.004","27.737","0.009","90","","92.97","0.007","90","","4507","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N3 O15 Zn3 -","- C18 H6 O15 Zn3 -","- C72 H24 O60 Zn12 -","4","1","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.0908","0.0756","","","0.2221","0.2351","","","","","","1.005","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214753","31.171","0.012","12.186","0.004","27.629","0.011","90","","108.264","0.004","90","","9966","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 N6 O15 Zn3 -","- C28 H6 N4 O15 Zn3 -","- C224 H48 N32 O120 Zn24 -","8","1","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.1055","0.0856","","","0.2601","0.2858","","","","","","0.968","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214754","3.783","0.0001","13.7734","0.0003","11.4497","0.0003","90","","96.218","0.003","90","","593.07","0.03","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 N4 O2 -","- C16 H8 N4 O2 -","- C32 H16 N8 O4 -","2","0.5","","Yong, Guo-Ping; Zhang, Yi-Man; Zhang, Bei","Hydrothermal syntheses, crystal structures and properties of novel quinone biradical and mixed-valence copper coordination polymer with semiquinone radical ligand generated in situ","CrystEngComm","2012","14","24","8620","","10.1039/c2ce26418h","","","1.54184","CuKα","","0.0399","0.0384","","","0.1005","0.1024","","","","","","1.02","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214755","3.8062","0.0004","9.0241","0.0009","11.0195","0.0007","76.628","0.008","89.855","0.007","85.583","0.008","367.09","0.06","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H4 Cl Cu N2 O -","- C8 H4 Cl Cu N2 O -","- C16 H8 Cl2 Cu2 N4 O2 -","2","1","","Yong, Guo-Ping; Zhang, Yi-Man; Zhang, Bei","Hydrothermal syntheses, crystal structures and properties of novel quinone biradical and mixed-valence copper coordination polymer with semiquinone radical ligand generated in situ","CrystEngComm","2012","14","24","8620","","10.1039/c2ce26418h","","","1.54184","CuKα","","0.0342","0.0324","","","0.0853","0.0871","","","","","","1.053","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214756","4.0152","0.0008","9.821","0.002","13.736","0.003","78.74","0.03","86.02","0.03","84.26","0.03","527.9","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H18 F4 -","- C30 H18 F4 -","- C30 H18 F4 -","1","0.5","","Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing","Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene","CrystEngComm","2012","14","20","6593","","10.1039/c2ce25276g","","","0.71073","MoKα","","0.1147","0.061","","","0.1623","0.1885","","","","","","1.077","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214757","4.875","0.001","13.857","0.003","20.296","0.004","90","","92.85","0.03","90","","1369.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 F12 -","- C34 H18 F12 -","- C68 H36 F24 -","2","0.5","","Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing","Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene","CrystEngComm","2012","14","20","6593","","10.1039/c2ce25276g","","","0.71073","MoKα","","0.3116","0.0905","","","0.1588","0.2568","","","","","","0.934","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214758","7.7071","0.0015","30.672","0.006","5.2356","0.001","90","","94.83","0.03","90","","1233.3","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 -","- C34 H30 -","- C68 H60 -","2","0.5","","Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing","Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene","CrystEngComm","2012","14","20","6593","","10.1039/c2ce25276g","","","0.71073","MoKα","","0.1178","0.0766","","","0.2154","0.2451","","","","","","1.01","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214759","10.3558","0.0005","26.56","0.0014","14.0029","0.0007","90","","107.368","0.003","90","","3675.9","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 N2 O4 -","- C42 H56 N2 O4 -","- C168 H224 N8 O16 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","","1.54184","CuKα","","0.0658","0.0523","","","0.1347","0.1454","","","","","","1.055","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214760","10.275","0.0003","10.275","0.0003","37.3096","0.001","90","","90","","90","","3938.98","0.19","173","2","173","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C44 H60 N2 O4 -","- C44 H60 N2 O4 -","- C176 H240 N8 O16 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.0827","0.0671","","","0.1589","0.1706","","","","","","1.073","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214761","25.4087","0.0012","12.1422","0.0005","15.9143","0.0007","90","","113.402","0.002","90","","4506","0.4","223","2","223","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H66 N2 O7 -","- C46 H66 N2 O7 -","- C184 H264 N8 O28 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.1048","0.0661","","","0.1741","0.2044","","","","","","1.038","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214762","26.531","0.005","8.089","0.0016","25.787","0.005","90","","114.46","0.03","90","","5037","2","153","2","153","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N2 O6 -","- C54 H80 N2 O6 -","- C216 H320 N8 O24 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.1039","0.0684","","","0.1509","0.1661","","","","","","1.05","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214763","14.993","0.0005","17.182","0.0006","20.278","0.0005","90","","104.334","0.002","90","","5061.2","0.3","153","2","153","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N2 O6 -","- C54 H80 N2 O6 -","- C216 H320 N8 O24 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.0997","0.054","","","0.1143","0.131","","","","","","1.023","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214764","6.1165","0.0008","7.466","0.0012","12.9602","0.0017","86.758","0.005","76.883","0.004","70.706","0.005","543.91","0.13","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C20 H26 N2 O12 -","2","2","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0532","","","","0.146","","","","","","1.119","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214765","8.0038","0.0006","11.0971","0.0008","13.0242","0.0013","101.247","0.003","95.778","0.004","101.541","0.003","1099.83","0.16","250","","250","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C40 H52 N4 O24 -","4","4","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0484","","","","0.2106","","","","","","1.028","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214766","8.0322","0.0006","11.0953","0.0008","13.0247","0.0009","100.127","0.0017","96.793","0.002","101.35","0.0018","1106.18","0.14","300","","300","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C40 H52 N4 O24 -","4","4","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0492","","","","0.2223","","","","","","1.057","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214767","9.45","0.002","11.83","0.002","11.964","0.002","114.83","0.03","101.03","0.03","94.64","0.03","1171.8","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O3 -","- C32 H24 N2 O3 -","- C64 H48 N4 O6 -","2","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.7107","MoKα","","0.0626","0.0417","","0.0741","0.071","0.0704","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214768","14.931","0.003","15.372","0.003","15.647","0.003","60.72","0.03","67.16","0.03","67.07","0.03","2796.3","1.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H60 N9 O12 -","- C63 H60 N9 O12 -","- C126 H120 N18 O24 -","2","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.71073","MoKα","","0.0989","0.0515","","0.2117","0.1347","0.1299","","","","","","1.0472","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214769","7.301","0.0015","16.518","0.003","24.294","0.003","90","","98.53","0.03","90","","2897.4","0.9","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C144 H112 N16 O24 -","8","2","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.71073","MoKα","","0.1105","0.0576","","0.1087","0.0956","0.0928","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214770","10.6419","0.0003","12.6654","0.0004","22.1187","0.0006","90","","90","","90","","2981.25","0.15","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C144 H112 N16 O24 -","8","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.7107","MoKα","","0.1321","0.0593","","0.2451","0.1257","0.1134","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214771","6.9418","0.0011","7.9241","0.0011","16.6673","0.0019","82.282","0.01","82.029","0.011","66.661","0.011","830.5","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Hg I2 N3 O2 -","- C12 H11 Hg I2 N3 O2 -","- C24 H22 Hg2 I4 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0738","0.0617","","","0.1521","0.1611","","","","","","1.149","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7214772","6.7123","0.0006","13.9195","0.0017","26.783","0.003","90","","90","","90","","2502.4","0.5","120","2","120","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C24 H22 Cl2 Hg N6 O4 -","- C24 H22 Cl2 Hg N6 O4 -","- C96 H88 Cl8 Hg4 N24 O16 -","4","0.5","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0776","0.0616","","","0.181","0.1904","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214773","7.9158","0.0009","8.1142","0.0008","13.4426","0.0017","98.167","0.009","94.158","0.01","115.388","0.008","763.49","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br2 Hg N3 O2 -","- C12 H11 Br2 Hg N3 O2 -","- C24 H22 Br4 Hg2 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0991","0.0942","","","0.1882","0.1987","","","","","","1.146","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214774","7.9431","0.0007","8.9284","0.0008","12.9309","0.0012","93.369","0.007","97.228","0.007","104.449","0.007","877.1","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Hg I2 N3 O2 -","- C13 H13 Hg I2 N3 O2 -","- C26 H26 Hg2 I4 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.066","0.0598","","","0.1602","0.1669","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214775","7.7934","0.001","8.7382","0.0012","12.4967","0.0014","93.388","0.01","96.104","0.01","103.975","0.01","817.98","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br2 Hg N3 O2 -","- C13 H13 Br2 Hg N3 O2 -","- C26 H26 Br4 Hg2 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0727","0.0626","","","0.1554","0.1629","","","","","","1.182","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214776","14.662","0.003","28.36","0.006","14.515","0.003","90","","114.78","0.03","90","","5480","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl2 Hg N6 O4 -","- C26 H26 Cl2 Hg N6 O4 -","- C208 H208 Cl16 Hg8 N48 O32 -","8","2","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0719","0.0535","","","0.1089","0.1153","","","","","","1.147","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214777","5.0331","0.0003","33.007","0.002","5.5043","0.0003","90","","99.24","0.004","90","","902.55","0.09","155","2","155","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C36 H48 N4 O10 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.033","0.0299","","","0.0678","0.0692","","","","","","1.352","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214778","36.447","0.007","5.012","0.001","17.294","0.004","90","","103.65","0.03","90","","3069.9","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C128 H176 N16 O24 -","8","2","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","Synchrotron","","0.2143","0.2","","","0.4452","0.4524","","","","","","1.157","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214779","8.8992","0.0012","9.9071","0.0017","12.299","0.002","75.265","0.007","81.633","0.007","76.227","0.007","1014.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 Br N2 O3 -","- C19 H27 Br N2 O3 -","- C38 H54 Br2 N4 O6 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.0987","0.0606","","","0.1685","0.1893","","","","","","1.095","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214780","8.5713","0.0011","9.9041","0.0011","11.2296","0.0014","97.717","0.004","108.25","0.004","101.874","0.004","865.48","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Br N2 O3 -","- C16 H21 Br N2 O3 -","- C32 H42 Br2 N4 O6 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.0555","0.04","","","0.1137","0.1286","","","","","","0.888","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214781","24.24","0.005","5.021","0.001","17.387","0.003","90","","91.28","0.03","90","","2115.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 N2 O3 -","- C22 H34 N2 O3 -","- C88 H136 N8 O12 -","4","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","Synchrotron","","0.1305","0.1295","","","0.4097","0.4101","","","","","","1.047","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214782","14.926","0.003","29.517","0.006","15.957","0.003","90","","116.34","0.03","90","","6300","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H65 Br4 Cl3 N4 O8 -","- C65 H65 Br4 Cl3 N4 O8 -","- C260 H260 Br16 Cl12 N16 O32 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.1263","0.0749","","","0.1699","0.1998","","","","","","1.024","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214783","13.645","0.001","35.308","0.003","13.891","0.001","90","","96.576","0.004","90","","6648.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H69 Br4 Cl5 N4 O8 -","- C66.5 H69 Br4 Cl5 N4 O8 -","- C266 H276 Br16 Cl20 N16 O32 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.1775","0.0898","","","0.2198","0.287","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214784","14.329","0.0003","16.2799","0.0004","17.1585","0.0005","73.013","0.001","68.37","0.001","87.773","0.001","3547.78","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H67 Br4 Cl9 N4 O8 -","- C67 H67 Br4 Cl9 N4 O8 -","- C134 H134 Br8 Cl18 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.0585","0.0533","","","0.1383","0.1428","","","","","","1.03","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214785","13.0274","0.0004","15.5167","0.0005","17.6396","0.0007","77.702","0.002","75.161","0.002","68.214","0.002","3172.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H71 Br4 N O8 -","- C70 H71 Br4 N O8 -","- C140 H142 Br8 N2 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.0602","0.0462","","","0.1088","0.1186","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214786","18.7558","0.0011","10.1597","0.0004","18.8355","0.0012","90","","104.734","0.006","90","","3471.1","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","acetylacetonatochlorobis(morpholine)copper(II)","","- C13 H25 Cl Cu N2 O4 -","- C13 H25 Cl Cu N2 O4 -","- C104 H200 Cl8 Cu8 N16 O32 -","8","2","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.1103","0.0821","","","0.2234","0.2296","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214787","6.8963","0.0002","11.7384","0.0003","13.5638","0.0003","82.211","0.002","84.292","0.005","73.527","0.003","1041.07","0.05","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","benzoylacetonatochlorobis(morpholine)copper(II)","","- C18 H29 Cl Cu N2 O5 -","- C18 H29 Cl Cu N2 O5 -","- C36 H58 Cl2 Cu2 N4 O10 -","2","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0428","0.0318","","","0.0818","0.0847","","","","","","1.024","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214788","13.5493","0.0006","11.3606","0.0004","13.7432","0.0006","90","","92.171","0.004","90","","2113.95","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","benzoylacetonatonitratobis(morpholine)copper(II)","","- C18 H27 Cu N3 O7 -","- C18 H27 Cu N3 O7 -","- C72 H108 Cu4 N12 O28 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer – a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0657","0.0365","","","0.0761","0.0789","","","","","","0.934","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214789","11.1998","0.001","17.0668","0.001","8.4726","0.0006","90","","102.461","0.008","90","","1581.3","0.2","295","2","295","2","","","","","","","","6","C 1 m 1","C -2y","8","","(1,3-diphenyl-1,3-propanedionato)aquabis(morpholine)copper(II) chloride - morpholinium chloride","","- C27 H41 Cl2 Cu N3 O6 -","- C27 H41 Cl2 Cu N3 O6 -","- C54 H82 Cl4 Cu2 N6 O12 -","2","0.5","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer – a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0616","0.0511","","","0.13","0.133","","","","","","1.006","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214790","12.0852","0.0003","9.7689","0.0002","20.8357","0.0004","90","","91.745","0.002","90","","2458.7","0.09","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2,6,6-tetramethyl-3,5-heptanedionato)chloroobis(morpholine)copper(II) monohydrate","","- C19 H39 Cl Cu N2 O5 -","- C19 H39 Cl Cu N2 O5 -","- C76 H156 Cl4 Cu4 N8 O20 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer – a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0647","0.0437","","","0.1221","0.1277","","","","","","0.989","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214791","10.458","0.002","37.201","0.006","7.053","0.002","90","","108.72","0.02","90","","2598.8","1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2,6,6-tetramethyl-3,5-heptanedionato)thiocyanatobis(morpholine)copper(II)","","- C20 H37 Cu N3 O4 S -","- C20 H37 Cu N3 O4 S -","- C80 H148 Cu4 N12 O16 S4 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer – a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.2423","0.2156","","","0.5189","0.5347","","","","","","1.843","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214792","15.888","0.005","16.7","0.003","17.261","0.013","90","","113.85","0.06","90","","4189","4","150","0.2","150","0.2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(1,3-diphenyl-1,3-propanedionato)chlorobis(morpholine)copper(II) - morpholinium chloride morpholine solvate hydrate","","- C74 H126 Cl3 Cu2 N11 O17 -","- C74 H118 Cl3 Cu2 N11 O17 -","- C148 H236 Cl6 Cu4 N22 O34 -","2","0.25","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.1456","0.0837","","","0.2246","0.2405","","","","","","0.973","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214793","6.4957","0.0002","23.028","0.001","8.5679","0.0003","90","","102.451","0.004","90","","1251.47","0.08","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(1,3-diphenyl-1,3-propanedionato)thiocyanatobis(morpholine)copper(II)","","- C24 H29 Cu N3 O4 S -","- C24 H29 Cu N3 O4 S -","- C48 H58 Cu2 N6 O8 S2 -","2","0.5","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer – a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0535","0.0328","","","0.0889","0.0918","","","","","","0.957","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214794","10.2419","0.0007","13.1084","0.0011","16.9868","0.0012","90","","90","","90","","2280.6","0.3","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1,1,1-trifluoroacetylacetonatochlorobis(morpholine)copper(II) - morpholine solvate","","- C17 H31 Cl Cu F3 N3 O5 -","- C17 H31 Cl Cu F3 N3 O5 -","- C68 H124 Cl4 Cu4 F12 N12 O20 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.085","0.0461","","","0.0959","0.1023","","","","","","0.839","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214795","7.0715","0.0014","9.0663","0.0018","17.098","0.003","92.53","0.03","101.12","0.03","102.62","0.03","1045.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 Cl N2 -","- C11 H13 Cl N2 -","- C44 H52 Cl4 N8 -","4","2","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0593","0.0435","","","0.1332","0.1501","","","","","","1.08","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214796","6.9883","0.0014","17.034","0.003","12.698","0.003","90","","99.88","0.03","90","","1489.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Cl N2 O S -","- C13 H19 Cl N2 O S -","- C52 H76 Cl4 N8 O4 S4 -","4","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0757","0.0452","","","0.1211","0.1349","","","","","","0.937","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214797","17.755","0.004","7.4749","0.0015","18.786","0.004","90","","90","","90","","2493.2","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0873","0.0522","","","0.1345","0.1495","","","","","","1.044","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214798","24.339","0.005","7.2309","0.0014","18.639","0.004","90","","112.5","0.03","90","","3030.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","2","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.115","0.0592","","","0.1247","0.1442","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214799","7.1192","0.0014","15.328","0.003","15.729","0.003","90","","90","","90","","1716.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O8 -","- C15 H22 N2 O8 -","- C60 H88 N8 O32 -","4","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.055","0.0483","","","0.1351","0.1391","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214800","16.1492","0.0014","15.1711","0.0013","26.937","0.002","90","","90","","90","","6599.6","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74 H54 N4 O18 Zn5 -","- C74 H54 N4 O18 Zn5 -","- C296 H216 N16 O72 Zn20 -","4","0.5","","Wang, Yu-Ling; Fu, Jiang-Hong; Jiang, Yun-Liang; Fu, Yang; Xiong, Wei-Lu; Liu, Qing-Yan","Metal oxo cluster-based coordination polymers with rigid 1,4-naphthalenedicarboxylate and semirigid 1,3-di(4-pyridyl)propane ligands: syntheses, structural topologies, and luminescent properties","CrystEngComm","2012","14","21","7245","","10.1039/c2ce25938a","","","0.71073","MoKα","","0.0741","0.0426","","","0.0945","0.1115","","","","","","1.002","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214801","30.2764","0.0006","12.1038","0.0003","30.7311","0.0007","90","","96.377","0.001","90","","11192","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H38 N2 O17 Pb5 -","- C61 H38 N2 O17 Pb5 -","- C488 H304 N16 O136 Pb40 -","8","1","","Wang, Yu-Ling; Fu, Jiang-Hong; Jiang, Yun-Liang; Fu, Yang; Xiong, Wei-Lu; Liu, Qing-Yan","Metal oxo cluster-based coordination polymers with rigid 1,4-naphthalenedicarboxylate and semirigid 1,3-di(4-pyridyl)propane ligands: syntheses, structural topologies, and luminescent properties","CrystEngComm","2012","14","21","7245","","10.1039/c2ce25938a","","","0.71073","MoKα","","0.0611","0.0368","","","0.0674","0.0742","","","","","","1.009","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214802","8.9885","0.0003","18.7361","0.0006","7.8637","0.0003","90","","98.878","0.003","90","","1308.45","0.08","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Mn N2 O8 -","- C11 H12 Mn N2 O8 -","- C44 H48 Mn4 N8 O32 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0382","0.0314","","","0.0727","0.0766","","","","","","1.078","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214803","14.03","0.009","6.614","0.004","12.613","0.008","90","","103.62","0.008","90","","1137.5","1.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N2 O5 Sr -","- C11 H8 N2 O5 Sr -","- C44 H32 N8 O20 Sr4 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0964","0.0572","","","0.1367","0.1498","","","","","","1.009","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214804","21.363","0.002","10.5184","0.0011","20.465","0.002","90","","90","","90","","4598.6","0.8","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H30 Cd2 N8 O11 -","- C47 H26 Cd2 N8 O11 -","- C188 H104 Cd8 N32 O44 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0924","0.0516","","","0.1193","0.1391","","","","","","1.019","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214805","9.4315","0.0011","20.99","0.003","20.452","0.002","90","","103.183","0.001","90","","3942.1","0.8","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd2 N8 O11 -","- C42 H28 Cd2 N8 O11 -","- C168 H112 Cd8 N32 O44 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0521","0.0357","","","0.0834","0.0909","","","","","","1.026","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214806","14.9469","0.0007","6.6581","0.0002","12.6986","0.0005","90","","103.505","0.005","90","","1228.8","0.09","290.5","","290.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O5 Sr -","- C12 H10 N2 O5 Sr -","- C48 H40 N8 O20 Sr4 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.7107","MoKα","","0.0481","0.0346","","","0.0779","0.0836","","","","","","1.059","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214807","15.0195","0.0007","15.2813","0.0007","19.1307","0.001","103.351","0.004","91.289","0.004","93.269","0.004","4262.3","0.4","291.15","","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H69 Cd4 N15 O17 -","- C83 H69 Cd4 N15 O17 -","- C166 H138 Cd8 N30 O34 -","2","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal–organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.7107","MoKα","","0.0741","0.0432","","","0.0854","0.0996","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214808","24.3529","0.0009","24.3529","0.0009","14.2468","0.001","90","","90","","120","","7317.3","0.6","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 Co1.5 N2 O8 -","- C12 H15 Co1.5 N2 O8 -","- C216 H270 Co27 N36 O144 -","18","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0745","0.0406","","","0.0983","0.1179","","","","","","0.905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214809","11.813","0.014","18","0.02","22.3","0.03","90","","97.925","0.01","90","","4696","10","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H43 Cl Mn2 N6 O13 -","- C46 H41 Cl Mn2 N6 O13 -","- C184 H164 Cl4 Mn8 N24 O52 -","4","1","","Manna, Subal Chandra; Mistri, Soumen; Jana, Atish Dipankar","A rare supramolecular assembly involving ion pairs of coordination complexes with a host‒guest relationship: synthesis, crystal structure, photoluminescence and thermal study","CrystEngComm","2012","14","21","7415","","10.1039/c2ce25916h","","","0.71073","MoKα","","0.1354","0.1052","","","0.2084","0.2217","","","","","","1.235","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214810","16.2948","0.0003","16.2948","0.0003","19.3671","0.0006","90","","90","","120","","4453.42","0.18","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H72 Cl4 Fe Mn2 N11 O8 -","- C56 H72 Cl4 Fe Mn2 N11 O8 -","- C168 H216 Cl12 Fe3 Mn6 N33 O24 -","3","0.5","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0467","0.0312","","","0.0662","0.071","","","","","","0.999","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214811","28.5554","0.0002","28.5554","0.0002","19.2155","0.0002","90","","90","","120","","13569.3","0.19","100","2","100","2","","","","","","","","7","P 32","P 32","145","","","","- C168 H216 Br12 Fe3 Mn6 N33 O24 -","- C168 H216 Br12 Fe3 Mn6 N33 O24 -","- C504 H648 Br36 Fe9 Mn18 N99 O72 -","3","1","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0688","0.0379","","","0.0701","0.0791","","","","","","1.019","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214812","16.4076","0.0003","10.4683","0.0002","21.8806","0.0004","90","","119.305","0.001","90","","3277.25","0.11","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C60 H86 Fe Mn2 N11 O13 -","- C60 H86.001 Fe Mn2 N11 O13 -","- C120 H172.002 Fe2 Mn4 N22 O26 -","2","0.5","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0516","0.035","","","0.0798","0.0877","","","","","","1.012","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214813","7.258","0.0009","8.4271","0.001","12.6094","0.0015","77.86","0.002","75.529","0.002","72.829","0.003","705.67","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F3 N O4 -","- C16 H12 F3 N O4 -","- C32 H24 F6 N2 O8 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.0643","0.0578","","","0.1395","0.1432","","","","","","1.091","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214814","8.6037","0.0011","9.5432","0.0012","10.2702","0.0013","93.248","0.002","101.615","0.002","107.129","0.002","783.27","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cl N O7 -","- C15 H16 Cl N O7 -","- C30 H32 Cl2 N2 O14 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.0893","0.0784","","","0.2203","0.2274","","","","","","1.221","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214815","11.1151","0.0009","11.8964","0.0009","22.1546","0.0018","91.414","0.002","98.911","0.002","110.246","0.002","2705.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 N4 O21 S3 -","- C56 H52 N4 O21 S3 -","- C112 H104 N8 O42 S6 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.0998","0.0652","","","0.1352","0.1503","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214816","10.1643","0.0011","10.1819","0.001","34.305","0.004","90","","95.067","0.003","90","","3536.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40.75 H39 N4 O6.75 -","- C40.75 H37 N4 O6.75 -","- C163 H148 N16 O27 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.1337","0.0861","","","0.2053","0.2338","","","","","","1.072","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214817","39.688","0.008","8.3626","0.0017","16.671","0.003","90","","97.19","0.03","90","","5489.5","1.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 O4 -","- C34 H26 N4 O4 -","- C272 H208 N32 O32 -","8","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0987","0.0559","","","0.1242","0.1471","","","","","","1.018","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214818","8.8462","0.0001","9.6181","0.0001","18.7208","0.0001","84.621","0.001","85.074","0.001","81.72","0.001","1565.05","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O5 S -","- C36 H32 N4 O5 S -","- C72 H64 N8 O10 S2 -","2","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1226","0.0677","","","0.1413","0.1715","","","","","","1.03","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214819","8.881","0.0004","14.2224","0.0007","14.3149","0.0006","114.149","0.002","97.447","0.002","100.481","0.004","1579.84","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O5 S -","- C36 H32 N4 O5 S -","- C72 H64 N8 O10 S2 -","2","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0751","0.0506","","","0.118","0.1335","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214820","10.5379","0.0007","11.538","0.0007","12.1818","0.0007","78.559","0.003","74.708","0.003","77.753","0.004","1380.16","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N5 O4 -","- C33 H25 N5 O4 -","- C66 H50 N10 O8 -","2","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0982","0.0603","","","0.1393","0.1622","","","","","","1.041","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214821","14.0456","0.0007","19.2718","0.0008","11.4694","0.0005","90","","94.781","0.002","90","","3093.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N6 O5 -","- C36 H32 N6 O5 -","- C144 H128 N24 O20 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0985","0.0575","","","0.1253","0.1476","","","","","","1.047","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214822","12.4871","0.0005","16.7057","0.0007","14.7175","0.0007","90","","90.296","0.002","90","","3070.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 N5 O5 -","- C33 H25 N5 O4 -","- C132 H100 N20 O16 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1001","0.0535","","","0.1242","0.1418","","","","","","0.981","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214823","12.4748","0.0005","16.6624","0.0005","14.8765","0.0006","90","","92.704","0.002","90","","3088.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58 N10 O8 -","- C73 H58 N10 O8 -","- C146 H116 N20 O16 -","2","0.5","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1541","0.0952","","","0.1937","0.2194","","","","","","1.075","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214824","13.2559","0.0004","16.6185","0.0006","13.9389","0.0006","90","","103.633","0.002","90","","2984.13","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 N5 O5 -","- C35 H31 N5 O5 -","- C140 H124 N20 O20 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0891","0.0551","","","0.1237","0.1441","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214825","12.7568","0.0005","16.6186","0.0007","16.5266","0.0007","90","","124.487","0.003","90","","2887.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 N5 O5 -","- C34 H29 N5 O5 -","- C136 H116 N20 O20 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1302","0.0732","","","0.1622","0.1939","","","","","","1.068","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214826","9.7193","0.0005","18.6564","0.0008","17.5185","0.0008","90","","92.741","0.002","90","","3172.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N5 O5 S -","- C35 H31 N5 O5 S -","- C140 H124 N20 O20 S4 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.097","0.0527","","","0.1109","0.1299","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214827","12.9687","0.0012","7.9248","0.0007","14.4847","0.0014","90","","106.222","0.001","90","","1429.4","0.2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C25 H38 Cl Co N4 O11 -","- C25 H38 Cl Co N4 O11 -","- C50 H76 Cl2 Co2 N8 O22 -","2","0.5","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.0801","0.0607","","","0.1545","0.1687","","","","","","1.067","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214828","17.6242","0.0012","11.8799","0.0008","11.8432","0.0008","90","","108.933","0.001","90","","2345.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15.5 H28 Cl2 N4 Ni O11.5 -","- C15.5 H28 Cl2 N4 Ni O11.5 -","- C62 H112 Cl8 N16 Ni4 O46 -","4","1","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.0609","0.0432","","","0.1175","0.1316","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214829","15.1068","0.0016","17.4396","0.0018","20.834","0.002","90","","92.055","0.001","90","","5485.3","1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H58 Cl N11 Ni4 O7.5 S3 -","- C38.5 H58 Cl N11 Ni4 O7.5 S3 -","- C154 H232 Cl4 N44 Ni16 O30 S12 -","4","1","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.1957","0.0699","","","0.1671","0.264","","","","","","1.118","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214830","27.539","0.0009","27.539","0.0009","13.4753","0.0008","90","","90","","90","","10219.6","0.8","273","2","273","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C70 H112 Cl2 Cu8 N22 O28 S6 -","- C69.996 H112 Cl2 Cu8 N21.996 O28 S5.996 -","- C279.984 H448 Cl8 Cu32 N87.984 O112 S23.984 -","4","0.25","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.0934","0.079","","","0.2194","0.2401","","","","","","1.029","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214831","11.655","0.001","11.6654","0.0003","16.9859","0.0004","90","","90","","90","","2309.4","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-aminopyridinium_6-fluorosalicylate","4-aminopyridinium_6-fluorosalicylate","","- C12 H11 F N2 O3 -","- C12 H11 F N2 O3 -","- C96 H88 F8 N16 O24 -","8","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0635","0.0496","","","0.116","0.125","","","","","","1.08","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214832","17.1666","0.0005","3.8501","0.0001","19.561","0.0004","90","","90","","90","","1292.85","0.06","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4-aminopyridium_5-bromosalicylate_monohydrate","4-aminopyridium_5-bromosalicylate_monohydrate","","- C12 H13 Br N2 O4 -","- C12 H13 Br N2 O4 -","- C48 H52 Br4 N8 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0384","0.0282","","","0.0584","0.0629","","","","","","1.089","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214833","4.4","0.005","18.068","0.005","8.581","0.005","90","","96.077","0.005","90","","678.3","0.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-aminopyridinium 5-iodosalicylate monohydrate","4-aminopyridinium 5-iodosalicylate monohydrate","","- C12 H13 I N2 O4 -","- C12 H13 I N2 O4 -","- C24 H26 I2 N4 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0165","0.0162","","","0.0386","0.0388","","","","","","1.066","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214834","10.9737","0.0005","4.5752","0.0002","11.9808","0.0005","90","","96.809","0.003","90","","597.28","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium 3-nitrosalicylate","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C24 H22 N6 O10 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0819","0.0587","","","0.1093","0.1219","","","","","","1.119","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214835","15.1705","0.0007","4.6669","0.0002","19.6506","0.0008","90","","104.734","0.002","90","","1345.5","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-aminopyridinium_5-acetylaminosalicylate","4-aminopyridinium_5-acetylaminosalicylate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0741","0.0542","","","0.1083","0.1212","","","","","","1.062","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214836","23.3169","0.0011","8.1015","0.0004","18.0588","0.0008","90","","110.986","0.002","90","","3185.1","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-aminopyridium_5-aminosalicylate_pyridine","4-aminopyridium_5-aminosalicylate_pyridine","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C136 H144 N32 O24 -","8","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.1426","0.0879","","","0.1487","0.1762","","","","","","1.119","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214837","11.9815","0.0005","7.9626","0.0002","12.4836","0.0005","90","","100.4","0.002","90","","1171.42","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-chlorosalicylate","4-aminopyridinium_5-chlorosalicylate","","- C12 H11 Cl N2 O3 -","- C12 H11 Cl N2 O3 -","- C48 H44 Cl4 N8 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0619","0.0527","","","0.115","0.1191","","","","","","1.103","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214838","4.4573","0.0005","17.317","0.002","8.484","0.0007","90","","97.333","0.007","90","","649.5","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-aminopyridinium_5-chlorosalicylate_hydrate","4-aminopyridinium_5-chlorosalicylate_hydrate","","- C12 H13 Cl N2 O4 -","- C12 H13 Cl N2 O4 -","- C24 H26 Cl2 N4 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.102","0.0578","","","0.1126","0.1316","","","","","","0.992","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214839","10.7838","0.0004","8.5407","0.0002","12.1504","0.0005","90","","95.099","0.002","90","","1114.64","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-fluorosalicylate","4-aminopyridinium_5-fluorosalicylate","","- C12 H11 F N2 O3 -","- C12 H11 F N2 O3 -","- C48 H44 F4 N8 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0629","0.0437","","","0.1079","0.1198","","","","","","1.063","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214840","13.6431","0.0003","8.1006","0.0002","12.4428","0.0002","90","","112.279","0.001","90","","1272.49","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-iodosalicylate","4-aminopyridinium_5-iodosalicylate","","- C12 H11 I N2 O3 -","- C12 H11 I N2 O3 -","- C48 H44 I4 N8 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0258","0.0235","","","0.0515","0.0527","","","","","","1.096","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214841","18.657","0.001","8.6657","0.0005","10.9293","0.0005","90","","102.573","0.004","90","","1724.63","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridium_5-iodosalicylate_pyridine","4-aminopyridium_5-iodosalicylate_pyridine","","- C17 H16 I N3 O3 -","- C17 H16 I N3 O3 -","- C68 H64 I4 N12 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0579","0.0433","","","0.0817","0.0901","","","","","","1.112","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214842","21.8619","0.0015","15.0658","0.0009","3.9918","0.0003","90","","90","","90","","1314.77","0.16","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-aminopyridinium_5-methoxysalicylate_monohydrate","4-aminopyridinium_5-methoxysalicylate_monohydrate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0716","0.0472","","","0.1007","0.1128","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214843","13.5414","0.0003","15.0598","0.0002","13.0106","0.0002","90","","108.645","0.001","90","","2514.01","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-methylsalicylate","4-aminopyridinium_5-methylsalicylate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","2","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0553","0.0432","","","0.1003","0.1071","","","","","","1.029","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214844","3.7777","0.0001","12.5991","0.0005","25.0825","0.001","90","","90","","90","","1193.82","0.07","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-aminopyridinium 5-nitrosalicylate","4-aminopyridinium 5-nitrosalicylate","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0683","0.0525","","","0.1131","0.1218","","","","","","1.109","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214845","10.402","0.002","18.512","0.004","12.824","0.003","90","","100.298","0.003","90","","2429.6","0.9","293","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H56 Ag3 B3 F12 N8 O4 -","- C36 H56 Ag3 B3 F12 N8 O4 -","- C72 H112 Ag6 B6 F24 N16 O8 -","2","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.1107","0.0694","","","0.0869","0.0981","","","","","","1.097","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214846","13.6526","0.0014","17.5146","0.0017","19.2169","0.0019","90","","93.667","0.001","90","","4585.7","0.8","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H104 Ag5 B4 F16 N17 O6 -","- C73 H104 Ag5 B4 F16 N17 O6 -","- C146 H208 Ag10 B8 F32 N34 O12 -","2","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.0921","0.0572","","","0.1241","0.1448","","","","","","1.017","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214847","23.97","0.03","15.082","0.016","13.04","0.014","90","","111.702","0.01","90","","4380","9","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H48 Ag2.5 B2.5 F10 N8 -","- C36 H48 Ag2.5 B2.5 F10 N8 -","- C144 H192 Ag10 B10 F40 N32 -","4","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.1479","0.1228","","","0.2479","0.2669","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214848","23.966","0.003","15.116","0.002","13.0659","0.0018","90","","111.746","0.001","90","","4396.5","1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H48 Ag2.5 Cl2.5 N8 O10 -","- C36 H48 Ag2.5 Cl2.5 N8 O10 -","- C144 H192 Ag10 Cl10 N32 O40 -","4","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.0935","0.0821","","","0.173","0.1815","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214849","3.642","0.0003","3.642","0.0003","11.814","0.002","90","","90","","90","","156.7","0.03","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al Ca Er O4 -","- Al Ca Er O4 -","- Al2 Ca2 Er2 O8 -","2","0.0625","","Zhu, Zhaojie; Zeng, Huiyi; Li, Jianfu; You, Zhenyu; Wang, Yan; Huang, Zixiang; Tu, Chaoyang","Growth, structure and spectral properties of a novel crystal CaErAlO4 for 2.7 μm lasers","CrystEngComm","2012","14","21","7423","","10.1039/c2ce26013a","","","0.71073","MoKα","","0.0313","0.0278","","","0.0596","0.0611","","","","","","1.093","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214850","8.4319","0.0013","11.4199","0.0018","12.3466","0.0019","115.41","0.006","95.966","0.007","100.016","0.007","1036","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C44 H36 F2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0683","0.0441","","","0.0978","0.1062","","","","","","0.961","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214851","8.512","0.003","9.602","0.003","14.26","0.005","82.134","0.023","75.238","0.022","73.081","0.022","1075.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O6 S -","- C23 H21 N3 O6 S -","- C46 H42 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0651","0.041","","","0.0939","0.101","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214852","8.2526","0.0008","11.0759","0.001","13.7895","0.0018","101.575","0.005","105.505","0.006","111.738","0.004","1063.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br N3 O6 S -","- C22 H18 Br N3 O6 S -","- C44 H36 Br2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.047","0.0305","","","0.0629","0.0666","","","","","","0.959","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214853","8.216","0.0005","10.957","0.0007","13.7261","0.0009","67.227","0.004","74.686","0.004","68.598","0.004","1049.85","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cl N3 O6 S -","- C22 H18 Cl N3 O6 S -","- C44 H36 Cl2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0851","0.0454","","","0.0928","0.1014","","","","","","0.871","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214854","8.467","0.0006","11.1895","0.0009","12.295","0.0009","114.729","0.004","96.555","0.004","98.491","0.004","1026.17","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C44 H36 F2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0682","0.0417","","","0.0937","0.1025","","","","","","0.947","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214855","8.2304","0.0004","10.8476","0.0006","13.7358","0.0007","68.2669","0.0028","75.0863","0.0028","69.1073","0.0027","1053.11","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 O8 S -","- C22 H18 N4 O8 S -","- C44 H36 N8 O16 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.062","0.038","","","0.0848","0.0928","","","","","","0.875","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214856","24.4459","0.0003","24.4459","0.0003","6.9701","0.0001","90","","90","","90","","4165.35","0.09","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C176 H144 F8 N24 O48 S8 -","8","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0998","0.044","","","0.0901","0.1058","","","","","","0.956","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214857","6.8637","0.0006","11.6363","0.0011","13.8047","0.0012","83.313","0.004","79.158","0.005","73.738","0.005","1037.17","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N4 O6 S -","- C22 H20 N4 O6 S -","- C44 H40 N8 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.077","0.0476","","","0.1003","0.1137","","","","","","1.051","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214858","8.828","0.0005","10.9297","0.0006","12.2953","0.0011","105.494","0.004","98.381","0.004","105.396","0.003","1071.81","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br N3 O6 S -","- C22 H18 Br N3 O6 S -","- C44 H36 Br2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0481","0.0369","","","0.0926","0.0969","","","","","","1.028","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214859","19.768","0.017","6.917","0.006","31.56","0.03","90","","100.693","0.012","90","","4240","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N3 O6 S -","- C22 H18 Cl N3 O6 S -","- C176 H144 Cl8 N24 O48 S8 -","8","2","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.6889","synchrotron","","0.1874","0.1103","","","0.2314","0.2803","","","","","","1.094","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214860","10.8016","0.0003","20.9659","0.0006","9.2105","0.0002","90","","95.787","0.002","90","","2075.23","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C88 H72 F4 N12 O24 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0927","0.0568","","","0.117","0.1325","","","","","","1.067","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214861","11.5454","0.0005","9.2118","0.0004","19.8419","0.0009","90","","102.438","0.002","90","","2060.74","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O7 S -","- C22 H19 N3 O7 S -","- C88 H76 N12 O28 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.1301","0.0506","","","0.0839","0.1044","","","","","","0.956","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214862","8.0433","0.0007","11.0546","0.0008","13.8361","0.0011","99.6457","0.0038","106.649","0.0041","107.631","0.0042","1078.85","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 O8 S -","- C22 H18 N4 O8 S -","- C44 H36 N8 O16 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0834","0.0519","","","0.112","0.1251","","","","","","1.02","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214863","10.415","0.011","21.17","0.02","9.557","0.01","90","","100.053","0.013","90","","2075","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C88 H72 F4 N12 O24 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.6889","synchrotron","","0.1437","0.0952","","","0.2475","0.2938","","","","","","1.044","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214864","9.1121","0.0011","9.9763","0.0013","11.9501","0.0016","78.5115","0.0045","86.2011","0.0044","88.3753","0.0045","1062.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N3 O8 S -","- C22 H21 N3 O8 S -","- C44 H42 N6 O16 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.1032","0.0471","","","0.0923","0.107","","","","","","0.908","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214865","8.4985","0.0002","9.8813","0.0002","12.5408","0.0003","93.602","0.001","104.092","0.001","112.153","0.001","931.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H37 N7 O10 S2 -","- C40 H37 N7 O10 S2 -","- C40 H37 N7 O10 S2 -","1","0.5","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0929","0.0562","","","0.1316","0.1493","","","","","","1.071","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214866","9.4317","0.0002","11.394","0.0003","20.4344","0.0004","90","","99.979","0.001","90","","2162.76","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O6 S -","- C23 H21 N3 O6 S -","- C92 H84 N12 O24 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0881","0.052","","","0.1085","0.1255","","","","","","0.994","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214867","6.7753","0.0003","11.4738","0.0004","13.7702","0.0006","80.079","0.002","81.802","0.002","76.925","0.002","1021.12","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C44 H36 F2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0498","0.0358","","","0.093","0.0985","","","","","","0.989","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214868","9.5744","0.0012","10.4949","0.0016","12.5497","0.0016","66.362","0.005","73.077","0.004","75.292","0.005","1091.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O6 S -","- C23 H21 N3 O6 S -","- C46 H42 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71075","MoKα","","0.1177","0.0651","","","0.1345","0.1605","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214869","11.519","0.002","12.573","0.002","21.345","0.004","85.877","0.003","76.069","0.004","74.179","0.004","2886.7","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H98 Ce2 Cu3 N12 O95 Si2 W22 -","- C18 H60 Ce2 Cu3 N12 O95 Si2 W22 -","- C18 H60 Ce2 Cu3 N12 O95 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.0783","0.0578","","","0.1473","0.1572","","","","","","1.022","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214870","11.4614","0.0019","12.537","0.002","21.337","0.003","86.035","0.003","76.034","0.003","74.011","0.003","2860.2","0.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 N12 O96 Pr2 Si2 W22 -","- C18 H60 Cu3 N12 O96 Pr2 Si2 W22 -","- C18 H60 Cu3 N12 O96 Pr2 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.0882","0.0603","","","0.143","0.1516","","","","","","1.02","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214871","11.44","0.006","12.59","0.007","21.23","0.012","85.652","0.011","76.025","0.01","73.8","0.011","2849","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 N12 Nd2 O96 Si2 W22 -","- C18 H60 Cu3 N12 Nd2 O96 Si2 W22 -","- C18 H60 Cu3 N12 Nd2 O96 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.177","0.1103","","","0.2068","0.2197","","","","","","1.065","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214872","11.439","0.003","12.594","0.004","21.357","0.006","85.723","0.006","75.892","0.006","73.965","0.007","2867.8","1.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 N12 O96 Si2 Sm2 W22 -","- C18 H60 Cu3 N12 O96 Si2 Sm2 W22 -","- C18 H60 Cu3 N12 O96 Si2 Sm2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1298","0.071","","","0.1493","0.1627","","","","","","1.054","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214873","11.3868","0.0011","12.5373","0.0012","21.279","0.002","85.419","0.002","75.718","0.002","74.056","0.002","2830.4","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 Eu2 N12 O96 Si2 W22 -","- C18 H60 Cu3 Eu2 N12 O96 Si2 W22 -","- C18 H60 Cu3 Eu2 N12 O96 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1062","0.0709","","","0.1464","0.1566","","","","","","1.045","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214874","11.383","0.005","12.571","0.006","21.312","0.01","85.704","0.008","75.841","0.009","73.988","0.009","2842","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H98 Cu3 Gd2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Gd2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Gd2 N12 O95 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.115","0.0784","","","0.1686","0.1795","","","","","","1.021","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214875","11.3793","0.001","12.5601","0.0011","21.3419","0.0018","85.533","0.002","75.628","0.002","74.182","0.002","2842.8","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H96 Cu3 N12 O94 Si2 Tb2 W22 -","- C18 H60 Cu3 N12 O94 Si2 Tb2 W22 -","- C18 H60 Cu3 N12 O94 Si2 Tb2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.0825","0.0621","","","0.1524","0.1581","","","","","","1.076","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214876","11.363","0.006","12.518","0.005","21.355","0.004","85.392","0.006","75.32","0.003","74.299","0.003","2828.6","1.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H96 Cu3 Dy2 N12 O94 Si2 W22 -","- C18 H60 Cu3 Dy2 N12 O94 Si2 W22 -","- C18 H60 Cu3 Dy2 N12 O94 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1421","0.1045","","","0.2307","0.2432","","","","","","1.031","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214877","11.33","0.002","12.531","0.002","21.364","0.004","85.211","0.003","75.145","0.003","74.548","0.003","2825.5","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H98 Cu3 Er2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Er2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Er2 N12 O95 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1197","0.0876","","","0.1728","0.181","","","","","","1.041","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214878","12.313","0.002","22.626","0.005","34.702","0.007","90","","90","","90","","9668","3","298","2","298","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H28 Cl3 N12 O22 Sm Zn6 -","- C40 H28 Cl3 N12 O22 Sm Zn6 -","- C320 H224 Cl24 N96 O176 Sm8 Zn48 -","8","0.25","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","0.71073","MoKα","","0.0787","0.0606","","","0.2122","0.2352","","","","","","1.051","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214879","12.284","0.002","22.733","0.004","34.4","0.006","90","","90","","90","","9606","3","173","2","173","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H28 Cl3 Eu N12 O22 Zn6 -","- C40 H28 Cl3 Eu N12 O22 Zn6 -","- C320 H224 Cl24 Eu8 N96 O176 Zn48 -","8","0.25","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","1.54178","CuKα","","0.0512","0.0499","","","0.1629","0.1651","","","","","","1.062","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214880","12.1678","0.0005","22.691","0.0008","34.3938","0.0014","90","","90","","90","","9496.1","0.6","173","2","173","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H28 Cl3 N12 O22 Tb Zn6 -","- C40 H28 Cl3 N12 O22 Tb Zn6 -","- C320 H224 Cl24 N96 O176 Tb8 Zn48 -","8","0.25","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","1.54178","CuKα","","0.0525","0.0493","","","0.1634","0.1701","","","","","","0.981","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214881","13.573","0.0018","11.7732","0.0016","12.9248","0.0017","90","","117.653","0.001","90","","1829.4","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N3 O14 S Tb Zn -","- C10 H16 N3 O14 S Tb Zn -","- C40 H64 N12 O56 S4 Tb4 Zn4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","0.71073","MoKα","","0.031","0.0258","","","0.0572","0.0626","","","","","","1.089","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214882","7.9573","0.0003","16.6249","0.0005","20.7201","0.0007","90","","96.423","0.003","90","","2723.84","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl4 K O3 -","- C10 H8 Cl4 K O3 -","- C80 H64 Cl32 K8 O24 -","8","2","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0567","","","","0.1576","","","","","","1.126","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214883","4.0571","0.0001","16.5931","0.0004","20.7334","0.0004","90","","96.925","0.002","90","","1385.59","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl4 K O3 -","- C10 H8 Cl4 K O3 -","- C40 H32 Cl16 K4 O12 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0387","","","","0.1033","","","","","","1.016","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214884","3.7932","0.0002","16.7161","0.0006","8.8555","0.0003","90","","100.817","0.004","90","","551.53","0.04","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H7 Cl4 N2 O2 -","- C8 H7 Cl4 N2 O2 -","- C16 H14 Cl8 N4 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0703","","","","0.1931","","","","","","1.076","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214885","6.919","0.003","21.908","0.01","14.415","0.005","90","","112.974","0.017","90","","2011.7","1.5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F6 N4 O P S -","- C18 H15 F6 N4 O P S -","- C72 H60 F24 N16 O4 P4 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.1414","0.0752","","","0.1866","0.2124","","","","","","0.848","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214886","9.325","0.008","10.985","0.009","11.008","0.009","99.61","0.011","105.84","0.01","109.486","0.012","980.4","1.4","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 Br Cl N4 O6 S -","- C17 H14 Br Cl N4 O6 S -","- C34 H28 Br2 Cl2 N8 O12 S2 -","2","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.124","0.0782","","","0.2234","0.2969","","","","","","1.061","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214887","15.333","0.011","8.37","0.008","17.857","0.013","90","","111.57","0.03","90","","2131","3","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br Cl N4 O5 S -","- C19 H16 Br Cl N4 O5 S -","- C76 H64 Br4 Cl4 N16 O20 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0614","0.0487","","","0.1275","0.133","","","","","","0.987","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214888","7.562","0.002","14.037","0.004","22.806","0.007","90","","105.568","0.004","90","","2332","1.2","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Hg I2 N4 O2 S -","- C19 H18 Hg I2 N4 O2 S -","- C76 H72 Hg4 I8 N16 O8 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0589","0.0345","","","0.063","0.0675","","","","","","0.79","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214889","7.6661","0.0011","24.296","0.003","14.8623","0.0016","90","","116.268","0.005","90","","2482.3","0.6","291","2","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br Hg I2 N5 O S -","- C20 H16 Br Hg I2 N5 O S -","- C80 H64 Br4 Hg4 I8 N20 O4 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0574","0.0381","","","0.0816","0.0862","","","","","","0.883","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214890","9.8723","0.0008","9.9382","0.0008","10.7007","0.0016","91.615","0.002","102.813","0.002","119.47","0.001","879.54","0.17","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H20 Cl2 Hg2 N8 O8 S2 -","- C34 H20 Cl2 Hg2 N8 O8 S2 -","- C34 H20 Cl2 Hg2 N8 O8 S2 -","1","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0664","0.0336","","","0.0424","0.0471","","","","","","0.738","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214891","8.186","0.0014","10.3316","0.0017","12.858","0.002","109.506","0.002","93.424","0.002","102.044","0.002","992.6","0.3","291","2","291","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 Br2 Cl4 N8 Ni2 O2 S2 -","- C36 H26 Br2 Cl4 N8 Ni2 O2 S2 -","- C36 H26 Br2 Cl4 N8 Ni2 O2 S2 -","1","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0603","0.0387","","","0.0937","0.0991","","","","","","0.91","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214892","25.896","0.005","9.8455","0.0019","18.182","0.003","90","","110.564","0.002","90","","4340.3","1.4","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Br2 La N11 O11 S2 -","- C38 H30 Br2 La N11 O11 S2 -","- C152 H120 Br8 La4 N44 O44 S8 -","4","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0278","0.0239","","","0.0602","0.0613","","","","","","1.026","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214893","18.229","0.005","18.329","0.005","19.533","0.005","62.294","0.003","76.676","0.004","68.31","0.004","5355","2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H82 Cl4 Fe2 N24 O23 S6 -","- C106 H82 Cl4 Fe2 N24 O23 S6 -","- C212 H164 Cl8 Fe4 N48 O46 S12 -","2","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.1827","0.1154","","","0.3431","0.3682","","","","","","1.075","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214894","20.215","0.0011","20.9756","0.0012","33.84","0.0019","90","","90","","90","","14348.9","1.4","291","2","291","2","","","","","","","","8","I 21 21 21","I 2b 2c","24","","","","- C113 H109 F36 N24 O15 P6 Ru3 S3 -","- C113 H109 F36 N24 O15 P6 Ru3 S3 -","- C452 H436 F144 N96 O60 P24 Ru12 S12 -","4","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.108","0.0567","","","0.1244","0.1359","","","","","","0.962","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214895","8.4762","0.0009","15.787","0.002","8.3158","0.0011","90","","97.21","0.01","90","","1104","0.2","210","","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","molecular complex of bromoform with cyclohexanone (1:1)","","- C7 H11 Br3 O -","- C7 H11 Br3 O -","- C28 H44 Br12 O4 -","4","1","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.073","0.0379","","","0.0826","0.0923","","","","","","1.01","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214896","7.9562","0.0008","9.6768","0.0009","12.0633","0.0017","90","","94.923","0.011","90","","925.33","0.18","225","","225","","","","","","","","","5","C 1 c 1","C -2yc","9","","molecular complex of bromoform with dimethylsulfoxide (1:1)","","- C3 H7 Br3 O S -","- C3 H7 Br3 O S -","- C12 H28 Br12 O4 S4 -","4","1","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","","0.7107","MoKα","Mo","0.1038","0.0833","","","0.2103","0.2358","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214897","4.1771","0.0003","19.2999","0.0016","6.0082","0.0005","90","","106.732","0.01","90","","463.86","0.07","160","","160","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0208","0.0182","","","0.0449","0.0457","","","","","","1.114","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214898","4.2028","0.0004","19.3569","0.0018","6.0247","0.0005","90","","106.761","0.01","90","","469.31","0.08","200","","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0234","0.0212","","","0.0506","0.0516","","","","","","1.069","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214899","4.2311","0.0005","19.421","0.002","6.0413","0.0006","90","","106.76","0.01","90","","475.34","0.09","240","","240","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0283","0.0244","","","0.0595","0.0614","","","","","","1.064","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214900","6.566","0.002","10.457","0.003","17.386","0.005","90","","90","","90","","1193.7","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 B Cu F4 N7 O -","- C6 H10 B Cu F4 N7 O -","- C24 H40 B4 Cu4 F16 N28 O4 -","4","1","","Boland, Yves; Tinant, Bernard; Safin, Damir A.; Marchand-Brynaert, Jacqueline; Clérac, Rodolphe; Garcia, Yann","A metal‒organic framework made of an asymmetric 1,2,4-triazole and tetrazole ligand","CrystEngComm","2012","14","23","8153","","10.1039/c2ce26257f","","","0.71069","MoKα","","0.0438","0.0396","","","0.0986","0.1013","","","","","","1.058","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214901","7.7051","0.0011","8.2473","0.0012","18.664","0.003","90","","90","","90","","1186","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Dy N2 O8 -","- C8 H11 Dy N2 O8 -","- C32 H44 Dy4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0208","0.0198","","","0.044","0.0445","","","","","","0.979","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214902","7.6961","0.0015","8.2458","0.0017","18.737","0.004","90","","90","","90","","1189.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N2 O8 Tb -","- C8 H11 N2 O8 Tb -","- C32 H44 N8 O32 Tb4 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0299","0.0278","","","0.0604","0.0612","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214903","7.7735","0.0018","8.2482","0.0019","18.816","0.004","90","","90","","90","","1206.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Eu N2 O8 -","- C8 H11 Eu N2 O8 -","- C32 H44 Eu4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0286","0.0281","","","0.0672","0.0674","","","","","","1.127","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214904","7.7305","0.001","8.2593","0.0011","18.791","0.003","90","","90","","90","","1199.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Gd N2 O8 -","- C8 H11 Gd N2 O8 -","- C32 H44 Gd4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0164","0.0161","","","0.0411","0.0412","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214905","7.7028","0.001","8.2418","0.001","18.692","0.002","90","","90","","90","","1186.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Dy N2 O8 -","- C8 H11 Dy N2 O8 -","- C32 H44 Dy4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0384","0.0376","","","0.095","0.0955","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214906","15.2093","0.0005","11.5727","0.0004","15.7952","0.0004","90","","93.599","0.002","90","","2774.67","0.15","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H59 Ce N28 O31 -","- C39 H50 Ce N28 O31 -","- C78 H100 Ce2 N56 O62 -","2","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0735","0.0718","","","0.1949","0.1961","","","","","","1.073","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214907","34.5703","0.0011","21.2363","0.0006","21.7315","0.0005","90","","127.191","0.0015","90","","12709.4","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H144 Ce2 N56 O69 -","- C84 H110 Ce2 N56 O69 -","- C336 H440 Ce8 N224 O276 -","4","0.5","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0667","0.0552","","","0.1641","0.1713","","","","","","1.058","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214908","14.7871","0.0001","26.7248","0.0003","16.7471","0.0002","90","","90.3591","0.0005","90","","6618.03","0.12","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H75 N28 O37 S Yb -","- C41 H51 N28 O37 S Yb -","- C164 H204 N112 O148 S4 Yb4 -","4","2","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0609","0.0567","","","0.1517","0.1542","","","","","","1.087","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214909","25.4155","0.0002","18.8099","0.0002","29.8228","0.0003","90","","93.6325","0.0006","90","","14228.5","0.2","150","2","150","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C164 H312 Dy5 N115 O163 S4 -","- C164 H185 Dy5 N115 O163 S4 -","- C328 H370 Dy10 N230 O326 S8 -","2","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0707","0.0666","","","0.1868","0.1901","","","","","","1.046","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214910","14.2583","0.0007","15.0998","0.0004","25.1467","0.0012","90.052","0.003","90.186","0.002","116.19","0.003","4858.2","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C102 H228 N64 Nd4 O112 S6 -","- C102 H144 N64 Nd4 O112 S6 -","- C102 H144 N64 Nd4 O112 S6 -","1","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0684","0.0607","","","0.1545","0.1607","","","","","","1.027","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214911","14.6622","0.0012","17.3679","0.0014","20.5165","0.0017","66.9042","0.001","77.86","0.002","68.1339","0.001","4447.4","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H136 Cl2 Mn7 N4 O54 -","- C144 H136 Cl2 Mn7 N4 O54 -","- C144 H136 Cl2 Mn7 N4 O54 -","1","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.068","0.0448","","","0.09","0.0943","","","","","","1.02","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214912","14.8661","0.001","17.8974","0.0012","20.5741","0.0014","67.25","0.001","77.738","0.002","67.815","0.001","4660.3","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H164 Cd7 Cl2 N4 O54 -","- C144 H136 Cd7 Cl2 N4 O54 -","- C144 H136 Cd7 Cl2 N4 O54 -","1","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.0477","0.037","","","0.0758","0.078","","","","","","1.063","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214913","15.2234","0.0012","17.3461","0.0012","20.4722","0.0016","67.071","0.001","76.394","0.002","64.9","0.001","4492.8","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H168 Co7 N4 O57 -","- C144 H138 Co7 N4 O57 -","- C144 H138 Co7 N4 O57 -","1","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.058","0.0419","","","0.0835","0.087","","","","","","1.046","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214914","8.636","0.0006","35.5231","0.0014","17.7388","0.0012","90","","92.067","0.003","90","","5438.3","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H106 Cl2 Co4 N6 O29 -","- C84 H96 Cl2 Co4 N6 O31 -","- C168 H192 Cl4 Co8 N12 O62 -","2","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.0739","0.0504","","","0.0915","0.0956","","","","","","1.1","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214915","10.487","0.002","11.16","0.002","12.296","0.003","99.54","0.03","98.62","0.03","90.56","0.03","1402.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22.5 Cd N8 O5.75 -","- C29 H19 Cd N8 O5.75 -","- C58 H38 Cd2 N16 O11.5 -","2","1","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.0622","0.0538","","","0.1711","0.181","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214916","17.194","0.003","12.05","0.002","22.453","0.005","90","","95.42","0.03","90","","4631.2","1.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C92 H74 N28 O24 Zn3 -","- C92 H56 N28 O24 Zn3 -","- C184 H112 N56 O48 Zn6 -","2","0.5","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.1193","0.0705","","","0.204","0.2318","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214917","10.346","0.002","11.139","0.002","13.478","0.003","66.01","0.03","84.96","0.03","76.27","0.03","1378.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cd N6 O8 S -","- C28 H16 Cd N6 O8 S -","- C56 H32 Cd2 N12 O16 S2 -","2","1","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.0364","0.0321","","","0.0958","0.1032","","","","","","1.198","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214918","12.805","0.003","5.3901","0.0011","10.848","0.002","90","","100.58","0.03","90","","736","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N6 O6 Zn -","- C14 H12 N6 O6 Zn -","- C28 H24 N12 O12 Zn2 -","2","0.5","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.0299","0.0249","","","0.0578","0.0597","","","","","","1.06","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214919","32.7209","0.0015","19.4444","0.0009","32.739","0.002","90","","115.904","0.002","90","","18737","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Ca2 Cl4 N20 O11 -","- C30 H30 Ca2 Cl3.9985 N20 O11 -","- C480 H480 Ca32 Cl63.976 N320 O176 -","16","2","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.1753","0.1015","","","0.2591","0.2911","","","","","","1.097","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214920","15.8841","0.0018","12.4803","0.0014","14.1747","0.0016","90","","90","","90","","2810","0.5","223","2","223","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C44 H68 N20 O29 -","- C44 H42 N20 O16 -","- C88 H84 N40 O32 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0496","0.0466","","","0.1282","0.1303","","","","","","1.08","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214921","14.7327","0.0018","14.7327","0.0018","46.389","0.011","90","","90","","120","","8720","3","223","2","223","2","","","","","","","","6","P 65","P 65","170","","","","- C37 H68 Ca Cl2 N20 O29 -","- C37 H36 Ca Cl2 N20 O17 -","- C222 H216 Ca6 Cl12 N120 O102 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0825","0.0762","","","0.2124","0.2189","","","","","","1.032","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214922","15.8841","0.0018","12.4803","0.0014","14.1747","0.0016","90","","90","","90","","2810","0.5","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C40 H40 N25 O20 -","- C44 H42 N20 O33 -","- C88 H84 N40 O66 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0652","0.0606","","","0.1823","0.1874","","","","","","1.084","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214923","25.4025","0.0002","25.4025","0.0002","46.8244","0.0004","90","","90","","90","","30215.2","0.4","150","2","150","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C63 H83 Cl4 N10 O3.5 Pt2 S4 Zn2 -","- C63 H83 Cl4 N10 O3.5 Pt2 S4 Zn2 -","- C1008 H1328 Cl64 N160 O56 Pt32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0655","0.0446","","","0.1157","0.1247","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214924","25.6733","0.001","25.6733","0.001","47.043","0.004","90","","90","","90","","31007","3","150","2","150","2","","","","","","","","9","I -4 2 d","I -4 2bw","122","","","","- C64 H83.5 Br4 Cl N10.5 O3 Pt2 S4 Zn2 -","- C64 H82.5 Br4 Cl N10.5 O3 Pt2 S4 Zn2 -","- C1024 H1320 Br64 Cl16 N168 O48 Pt32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0639","0.0452","","","0.1117","0.1267","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214925","25.7484","0.0008","22.6562","0.0006","27.7603","0.0008","90","","98.9677","0.0011","90","","15996.3","0.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H73 Cl9 I4 N8 Pt2 S4 Zn2 -","- C60.5 H73 Cl9 I4 N8 Pt2 S4 Zn2 -","- C484 H584 Cl72 I32 N64 Pt16 S32 Zn16 -","8","2","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0842","0.0419","","","0.096","0.1144","","","","","","1.006","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214926","27.54","0.003","19.1614","0.0017","16.0561","0.0015","90","","119.272","0.001","90","","7391","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H80 N10 O11 Pt2 S4 Zn2 -","- C60 H64 N10 O11 Pt2 S4 Zn2 -","- C240 H256 N40 O44 Pt8 S16 Zn8 -","4","0.5","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0636","0.0469","","","0.1383","0.1564","","","","","","1.127","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214927","25.4591","0.0007","25.4591","0.0007","46.7498","0.0013","90","","90","","90","","30301.6","1.4","150","2","150","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C65 H86 Cl4 N11 O3.5 Pd2 S4 Zn2 -","- C65 H85 Cl4 N11 O3.5 Pd2 S4 Zn2 -","- C1040 H1360 Cl64 N176 O56 Pd32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0958","0.0782","","","0.1553","0.1621","","","","","","1.261","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214928","10.46","0.005","11.536","0.005","42.364","0.019","90","","90","","90","","5112","4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-O-benzyl-myo-inositol-1,3,5-orthoformate","","- C14 H16 O6 -","- C14 H16 O6 -","- C224 H256 O96 -","16","2","","Sardessai, Richa; Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Achieving molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate through crystal formation","CrystEngComm","2012","14","23","8010","","10.1039/c2ce26199e","","","0.71073","MoKα","","0.0867","0.0513","","","0.117","0.1352","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214929","10.4043","0.0017","13.72","0.002","10.3515","0.0017","90","","118.031","0.003","90","","1304.3","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-O-benzyl-myo-inositol-1,3,5-orthoformate","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Sardessai, Richa; Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Achieving molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate through crystal formation","CrystEngComm","2012","14","23","8010","","10.1039/c2ce26199e","","","0.71073","MoKα","","0.128","0.0852","","","0.1454","0.1581","","","","","","1.224","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214930","5.8919","0.0012","11.934","0.002","16.684","0.003","73.06","0.03","87.16","0.03","76.67","0.03","1091.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Cd Cl2 N4 S2 -","- C15 H28 Cd Cl2 N4 S2 -","- C30 H56 Cd2 Cl4 N8 S4 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0372","0.0325","","","0.1067","0.1132","","","","","","1.175","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214931","7.3432","0.0015","9.2378","0.0018","14.238","0.003","103.57","0.03","99.86","0.03","98.14","0.03","908.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br2 Cd N4 S2 -","- C14 H12 Br2 Cd N4 S2 -","- C28 H24 Br4 Cd2 N8 S4 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0418","0.0322","","","0.0855","0.0907","","","","","","1.121","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214932","5.8896","0.0012","13.286","0.003","17.001","0.003","85.77","0.03","81.61","0.03","87.58","0.03","1311.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cd2 Cl0 N8 S8 -","- C16 H10 Cd2 N8 S8 -","- C32 H20 Cd4 N16 S16 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0419","0.0322","","","0.0787","0.0819","","","","","","1.103","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214933","10.999","0.002","16.628","0.003","5.1034","0.001","90","","90","","90","","933.4","0.3","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H10 Br2 Cd N4 S4 -","- C12 H10 Br2 Cd N4 S4 -","- C24 H20 Br4 Cd2 N8 S8 -","2","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0219","0.0197","","","0.0414","0.042","","","","","","1.15","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214934","8.4933","0.0017","10.509","0.002","11.826","0.002","81.38","0.03","73.21","0.03","70.39","0.03","950.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Cd N5 S5 -","- C13 H9 Cd N5 S5 -","- C26 H18 Cd2 N10 S10 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.032","0.0274","","","0.0612","0.0669","","","","","","1.116","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214935","5.7769","0.0012","7.817","0.0018","13.529","0.003","90.857","0.014","100.574","0.013","106.749","0.013","573.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π–π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1275","0.0554","","","0.1055","0.1307","","","","","","1.004","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214936","3.9462","0.0002","28.9809","0.0011","5.2402","0.0002","90","","95.337","0.002","90","","596.69","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π–π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0532","0.0496","","","0.1323","0.1371","","","","","","1.061","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214937","7.2328","0.0004","11.2111","0.0005","17.3601","0.0007","90","","98.222","0.003","90","","1393.22","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O5 -","- C14 H16 N2 O5 -","- C56 H64 N8 O20 -","4","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π–π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1092","0.0454","","","0.083","0.0996","","","","","","1.001","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214938","8.1294","0.0002","11.4747","0.0002","15.7778","0.0003","95.479","0.001","102.802","0.001","90.992","0.001","1427.53","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Ag4 N12 O24 -","- C56 H48 Ag4 N12 O24 -","- C56 H48 Ag4 N12 O24 -","1","0.5","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0572","0.033","","","0.0558","0.0623","","","","","","1.005","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214939","5.287","0.0001","9.2477","0.0002","15.5312","0.0003","76.306","0.001","85.897","0.001","89.384","0.001","735.87","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Ag2 N6 O12 -","- C28 H24 Ag2 N6 O12 -","- C28 H24 Ag2 N6 O12 -","1","0.5","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π–π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0324","0.0256","","","0.0614","0.0645","","","","","","1.072","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214940","31.2148","0.0004","5.5693","0.0001","16.1812","0.0003","90","","99.665","0.001","90","","2773.09","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Ag Cl N4 O10 -","- C28 H24 Ag Cl N4 O10 -","- C112 H96 Ag4 Cl4 N16 O40 -","4","0.5","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0453","0.0327","","","0.0898","0.1002","","","","","","1.049","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214941","7.3871","0.0001","11.6594","0.0001","20.3813","0.0003","88.704","0.001","79.752","0.001","79.092","0.001","1696.1","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Ag Cl N6 O10 -","- C32 H30 Ag Cl N6 O10 -","- C64 H60 Ag2 Cl2 N12 O20 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1102","0.0445","","","0.0934","0.1155","","","","","","1.003","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214942","8.1757","0.0001","9.9244","0.0002","18.2818","0.0004","84.183","0.001","87.78","0.001","67.182","0.001","1360.24","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Ag N5 O9 -","- C28 H24 Ag N5 O9 -","- C56 H48 Ag2 N10 O18 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π–π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0777","0.0401","","","0.0817","0.0947","","","","","","1.008","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214943","8.5792","0.0002","10.5968","0.0002","17.2908","0.0004","82.52","0.001","89.791","0.001","89.693","0.001","1558.54","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Ag Cl N5 O10 -","- C30 H27 Ag Cl N5 O10 -","- C60 H54 Ag2 Cl2 N10 O20 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π–π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.054","0.0371","","","0.0874","0.0973","","","","","","1.022","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214944","10.9516","0.0012","11.4924","0.0015","12.3178","0.0012","97.684","0.01","115.89","0.007","91.832","0.01","1375.1","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Ag Cl N6 O10 -","- C26 H22 Ag Cl N6 O10 -","- C52 H44 Ag2 Cl2 N12 O20 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0445","0.0334","","","0.0802","0.0873","","","","","","1.044","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214945","10.8318","0.0016","11.5968","0.0012","12.2368","0.0015","98.53","0.009","115.595","0.009","91.721","0.009","1363.3","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag B F4 N6 O6 -","- C26 H22 Ag B F4 N6 O6 -","- C52 H44 Ag2 B2 F8 N12 O12 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1255","0.0542","","","0.092","0.1162","","","","","","1.026","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214946","11.1676","0.0015","11.3893","0.0018","12.6805","0.0012","80.868","0.01","63.9","0.009","88.796","0.012","1427.9","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag F6 N6 O6 P -","- C26 H22 Ag F6 N6 O6 P -","- C52 H44 Ag2 F12 N12 O12 P2 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π–π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0772","0.0405","","","0.0801","0.0943","","","","","","1.011","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7214947","5.4242","0.0011","7.3161","0.0015","17.917","0.004","99.69","0.03","94.01","0.03","103.93","0.03","675.7","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Form 1 of 1:1 nicotinamide and pimelic acid","Form 1 of 1:1 nicotinamide and pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphism and phase transformations of a cocrystal of nicotinamide and pimelic acid","CrystEngComm","2012","14","23","8193","","10.1039/c2ce26151k","","","0.71073","MoKα","","0.0609","0.0554","","","0.1504","0.156","","","","","","1.144","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214948","9.29","0.007","31.04","0.02","4.981","0.004","90","","90","","90","","1436.3","1.8","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","Form 2 of 1:1 nicotinamide and pimelic acid","Form 2 of 1:1 nicotinamide and pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphism and phase transformations of a cocrystal of nicotinamide and pimelic acid","CrystEngComm","2012","14","23","8193","","10.1039/c2ce26151k","","","0.71075","MoKα","","0.0928","0.0792","","","0.2012","0.2164","","","","","","1.114","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214949","6.594","0.002","12.467","0.004","14.022","0.004","90","","90","","90","","1152.7","0.6","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 Dy2 K2 N2 O20 -","- C18 H10 Dy2 K2 N2 O20 -","- C36 H20 Dy4 K4 N4 O40 -","2","0.5","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","0.71073","MoKα","","0.0365","0.0342","","","0.0952","0.0956","","","","","","1.095","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214950","6.571","0.0013","12.445","0.003","14.012","0.003","90","","90","","90","","1145.8","0.4","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 Er K N O10 -","- C9 H5 Er K N O10 -","- C36 H20 Er4 K4 N4 O40 -","4","1","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214951","14.12","0.003","12.545","0.003","6.6886","0.0013","90","","90","","90","","1184.8","0.4","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 K N Nd O10 -","- C9 H5 K N Nd O10 -","- C36 H20 K4 N4 Nd4 O40 -","4","1","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","0.71073","MoKα","","0.0279","0.0269","","","0.0703","0.0706","","","","","","1.111","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214952","14.7011","0.001","6.143","0.0003","16.075","0.001","90","","114.201","0.008","90","","1324.13","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O6 Zn -","- C14 H11 N O6 Zn -","- C56 H44 N4 O24 Zn4 -","4","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0525","0.0384","","","0.0848","0.0949","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214953","7.8575","0.0004","10.7958","0.0006","12.5902","0.0007","67.731","0.005","73.063","0.004","80.891","0.004","944.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N3 O7 Zn -","- C19 H20 N3 O7 Zn -","- C38 H40 N6 O14 Zn2 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0713","0.0537","","","0.1206","0.1342","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214954","7.6224","0.0005","11.3078","0.0006","13.4989","0.0006","65.261","0.005","74.349","0.005","83.501","0.005","1017.54","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N3 O7 Zn -","- C20 H22 N3 O7 Zn -","- C40 H44 N6 O14 Zn2 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0732","0.0555","","","0.1315","0.146","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214955","28.951","0.003","7.6653","0.0003","21.991","0.004","90","","128.355","0.018","90","","3827","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N4 O7.5 Zn -","- C18 H19 N4 O7.5 Zn -","- C144 H152 N32 O60 Zn8 -","8","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0834","0.0491","","","0.0813","0.0925","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214956","11.6011","0.0003","16.3324","0.0005","12.0354","0.0004","90","","93.807","0.003","90","","2275.36","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N3 O6 Zn -","- C26 H19 N3 O6 Zn -","- C104 H76 N12 O24 Zn4 -","4","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0575","0.039","","","0.0834","0.0931","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214957","11.4242","0.0003","16.2523","0.0004","12.0073","0.0004","90","","92.448","0.003","90","","2227.36","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cu N3 O6 -","- C26 H19 Cu N3 O6 -","- C104 H76 Cu4 N12 O24 -","4","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0516","0.0374","","","0.0809","0.0866","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214958","14.3716","0.0005","14.1848","0.0005","21.9961","0.0008","90","","106.675","0.004","90","","4295.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Cd N3 O5 -","- C26 H17 Cd N3 O5 -","- C208 H136 Cd8 N24 O40 -","8","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0429","0.0337","","","0.0725","0.0781","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214959","11.533","0.0006","14.292","0.0006","29.317","0.0008","92.071","0.003","90.977","0.003","103.047","0.004","4702.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C95 H90 Cd5 N15 O30 -","- C95 H90 Cd5 N15 O30 -","- C190 H180 Cd10 N30 O60 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71069","MoKα","","0.0784","0.0436","","","0.1002","0.1238","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214960","23.4087","0.0008","9.5727","0.0002","18.3298","0.0006","90","","108.456","0.004","90","","3896.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Co N3 O7 -","- C19 H13 Co N3 O7 -","- C152 H104 Co8 N24 O56 -","8","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0627","0.0495","","","0.1265","0.137","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214961","9.6198","0.0005","10.3436","0.0006","10.9062","0.0006","68.259","0.005","85.928","0.004","86.388","0.004","1004.68","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N3 Ni O8 -","- C19 H20 N3 Ni O8 -","- C38 H40 N6 Ni2 O16 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0635","0.0459","","","0.1139","0.1265","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214962","12.7419","0.0004","12.7419","0.0004","14.2617","0.0009","90","","90","","90","","2315.47","0.18","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C72 H72 Co4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0245","0.0229","","","0.0575","0.0583","","","","","","1.015","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214963","12.6811","0.0004","12.6811","0.0004","14.2077","0.0008","90","","90","","90","","2284.74","0.16","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 Ni O4 S -","- C18 H18 N12 Ni O4 S -","- C72 H72 N48 Ni4 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","1.54184","CuKα","","0.0339","0.0298","","","0.0703","0.0741","","","","","","1.043","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214964","12.8487","0.0016","12.8487","0.0016","14.526","0.002","90","","90","","90","","2398.1","0.5","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Mn N12 O4 S -","- C18 H18 Mn N12 O4 S -","- C72 H72 Mn4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0591","0.0533","","","0.1581","0.1625","","","","","","0.973","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214965","12.866","0.0003","12.866","0.0003","14.3888","0.0005","90","","90","","90","","2381.83","0.11","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Fe N12 O4 S -","- C18 H18 Fe N12 O4 S -","- C72 H72 Fe4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0323","0.0296","","","0.0767","0.079","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214966","12.783","0.002","12.783","0.002","14.358","0.005","90","","90","","90","","2346.2","1","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 S Zn -","- C18 H18 N12 O4 S Zn -","- C72 H72 N48 O16 S4 Zn4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0816","0.0495","","","0.0915","0.1063","","","","","","0.975","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214967","12.5812","0.0008","12.5812","0.0008","14.2715","0.0017","90","","90","","90","","2259","0.3","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 Ru S -","- C18 H18 N12 O4 Ru S -","- C72 H72 N48 O16 Ru4 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0741","0.0706","","","0.191","0.1932","","","","","","1.129","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214968","12.7455","0.0004","12.7455","0.0004","14.2641","0.0009","90","","90","","90","","2317.17","0.18","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C72 H72 Co4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0306","0.0286","","","0.0774","0.0795","","","","","","1.083","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214969","12.6871","0.0003","12.6871","0.0003","14.2044","0.0004","90","","90","","90","","2286.38","0.1","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C20 H18 N10 Ni O4 S -","- C18 H18 N12 Ni O4 S -","- C72 H72 N48 Ni4 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","1.54184","CuKα","","0.0564","0.054","","","0.1322","0.1355","","","","","","1.129","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214970","12.8656","0.0006","12.8656","0.0006","14.5185","0.0013","90","","90","","90","","2403.2","0.3","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Mn N12 O4 S -","- C18 H18 Mn N12 O4 S -","- C72 H72 Mn4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0385","0.035","","","0.088","0.0899","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214971","12.8616","0.0004","12.8616","0.0004","14.383","0.0006","90","","90","","90","","2379.25","0.14","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Fe N12 O4 S -","- C18 H18 Fe N12 O4 S -","- C72 H72 Fe4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0443","0.0347","","","0.0764","0.0858","","","","","","1.029","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214972","12.8115","0.0014","12.8115","0.0014","14.325","0.003","90","","90","","90","","2351.2","0.6","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 S Zn -","- C18 H18 N12 O4 S Zn -","- C72 H72 N48 O16 S4 Zn4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0449","0.0365","","","0.0815","0.0866","","","","","","1.019","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214973","12.561","0.003","20.722","0.004","23.556","0.005","90","","99.26","0.03","90","","6051","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C144 H144 Co8 N96 O32 S8 -","8","2","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0753","0.0594","","","0.1782","0.1893","","","","","","1.077","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214974","26.859","0.004","12.2673","0.0018","17.083","0.003","90","","124.59","0.002","90","","4633.7","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Co3 N4 O17 -","- C50 H36 Co3 N4 O17 -","- C200 H144 Co12 N16 O68 -","4","0.5","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0397","0.0346","","","0.0959","0.0991","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214975","26.909","0.005","12.17","0.003","17.157","0.003","90","","124.694","0.003","90","","4619.6","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 N4 O17 Zn3 -","- C50 H36 N4 O17 Zn3 -","- C200 H144 N16 O68 Zn12 -","4","0.5","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0738","0.0477","","","0.0835","0.0885","","","","","","1.006","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214976","18.833","0.005","13.696","0.003","30.322","0.008","90","","107.039","0.005","90","","7478","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H29 N4 O7 Zn -","- C44 H29 N4 O7 Zn -","- C352 H232 N32 O56 Zn8 -","8","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0786","0.0494","","","0.0996","0.1077","","","","","","0.842","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214977","10.239","0.01","14.746","0.006","16.5153","0.0016","93.983","0.0015","101.479","0.0015","105.624","0.0015","2333","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N4 O12 Zn2 -","- C48 H36 N4 O12 Zn2 -","- C96 H72 N8 O24 Zn4 -","2","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.1603","0.0965","","","0.2092","0.2239","","","","","","1.01","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214978","14.2461","0.0016","21.754","0.003","11.6482","0.0013","90","","95.942","0.002","90","","3590.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cd N4 O8 -","- C40 H32 Cd N4 O8 -","- C160 H128 Cd4 N16 O32 -","4","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0529","0.0479","","","0.1385","0.1428","","","","","","1.087","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214979","14.0498","0.0012","20.914","0.0017","11.6127","0.0009","90","","94.684","0.002","90","","3400.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 N4 Ni O7 -","- C40 H30 N4 Ni O7 -","- C160 H120 N16 Ni4 O28 -","4","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0631","0.0547","","","0.1612","0.1677","","","","","","1.076","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214980","15.273","0.002","21.836","0.003","16.089","0.002","90","","101.622","0.004","90","","5255.7","1.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H104 N46 O59 Sm2 -","- C66 H66 N46 O51 Sm2 -","- C132 H132 N92 O102 Sm4 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0546","0.0474","","","0.1385","0.1426","","","","","","1.077","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214981","14.465","0.005","14.465","0.003","45.866","0.012","90","","90","","120","","8311","4","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H64 Cl Er N22 O32 -","- C36 H36 Cl Er N22 O22 -","- C216 H216 Cl6 Er6 N132 O132 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0379","0.0368","","","0.0944","0.0948","","","","","","1.079","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214982","20.3","0.005","13.551","0.003","20.469","0.005","90","","90","","90","","5631","2","223","2","223","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C36 H64 Cl La N22 O32 -","- C36 H36 Cl La N22 O22 -","- C144 H144 Cl4 La4 N88 O88 -","4","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0515","0.0458","","","0.1419","0.147","","","","","","1.112","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214983","16.821","0.0012","18.5168","0.0013","24.5003","0.0017","106.175","0.002","100.333","0.002","101.696","0.002","6947.6","0.9","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H159 Cl6 Eu3 N43 O76 -","- C75 H75 Cl6 Eu3 N43 O44 -","- C150 H150 Cl12 Eu6 N86 O88 -","2","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0546","0.0463","","","0.1421","0.1488","","","","","","1.084","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214984","17.065","0.005","18.41","0.005","24.35","0.006","105.555","0.003","100.01","0.004","102.267","0.004","6982","3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H182 Cl9 Gd3 N40 O80 -","- C66 H66 Cl9 Gd3 N40 O32 -","- C132 H132 Cl18 Gd6 N80 O64 -","2","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.1006","0.0642","","","0.1727","0.1884","","","","","","0.954","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214985","14.4478","0.0018","14.4478","0.0018","46.109","0.012","90","","90","","120","","8335","3","223","2","223","2","","","","","","","","5","P 61","P 61","169","","","","- C36 H62 Dy N23 O34 -","- C36 H36 Dy N23 O25 -","- C216 H216 Dy6 N138 O150 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0467","0.042","","","0.107","0.1091","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214986","14.499","0.004","14.499","","45.818","0.012","90","","90","","120","","8341","3","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H68 Cl3 N20 O28 Yb -","- C36 H36 Cl3 N20 O16 Yb -","- C216 H216 Cl18 N120 O96 Yb6 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0371","0.0358","","","0.0888","0.0893","","","","","","1.124","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214987","14.515","0.004","14.515","","45.826","0.013","90","","90","","120","","8361","3","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H74 Cl3 Lu N20 O29 -","- C36 H36 Cl3 Lu N20 O16 -","- C216 H216 Cl18 Lu6 N120 O96 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0725","0.0701","","","0.167","0.1684","","","","","","1.129","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214988","23.3223","0.0018","10.6962","0.0007","15.7966","0.0012","90","","111.051","0.009","90","","3677.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Mg N2 O14 Zn2 -","- C32 H30 Mg N2 O14 Zn2 -","- C128 H120 Mg4 N8 O56 Zn8 -","4","0.5","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0572","0.043","","","0.1234","0.1393","","","","","","0.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214989","10.311","0.0004","18.4014","0.0013","14.3666","0.0009","90","","99.825","0.005","90","","2685.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Ca N2 O10 Zn -","- C24 H26 Ca N2 O10 Zn -","- C96 H104 Ca4 N8 O40 Zn4 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0773","0.0485","","","0.1077","0.1233","","","","","","1.028","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214990","10.4064","0.0005","18.5332","0.0009","14.4984","0.0008","90","","100.153","0.005","90","","2752.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O10 Sr Zn -","- C24 H26 N2 O10 Sr Zn -","- C96 H104 N8 O40 Sr4 Zn4 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0597","0.0424","","","0.1225","0.1357","","","","","","0.936","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214991","15.1637","0.0006","19.0644","0.0006","12.6634","0.0005","90","","112.767","0.005","90","","3375.6","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Ba N2 O16 Zn2 -","- C30 H16 Ba N2 O16 Zn2 -","- C120 H64 Ba4 N8 O64 Zn8 -","4","0.5","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0323","0.0259","","","0.0633","0.067","","","","","","1.023","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214992","5.399","0.0001","15.755","0.0004","20.698","0.0005","90","","90","","90","","1760.6","0.07","298","2","298","2","","","","","","","Crystal Screening","5","P 21 21 21","P 2ac 2ab","19","lamivudine hydrogen phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrogen phthalate","","- C16 H17 N3 O7 S -","- C16 H17 N3 O7 S -","- C64 H68 N12 O28 S4 -","4","1","","Capeletti da Silva, Cameron; Coelho, Renan Rezende; de Lima Cirqueira, Marilia; Campos de Melo, Ariane Carla; Landre Rosa, Iara Maria; Ellena, Javier; Martins, Felipe Terra","Salts of the anti-HIV drug lamivudine with phthalic and salicylic acids","CrystEngComm","2012","14","14","4562","","10.1039/c2ce25386k","","","0.71073","MoKα","","0.0566","0.0387","","","0.0958","0.1042","","","","","","1.022","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214993","12.7246","0.0012","5.2978","0.0003","13.1688","0.0009","90","","106.129","0.008","90","","852.8","0.12","107.4","0.2","107.4","0.2","","","","","","","Crystal Screening","5","P 1 21 1","P 2yb","4","lamivudine salicylate monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one salicylate monohydrate","","- C15 H19 N3 O7 S -","- C15 H19 N3 O7 S -","- C30 H38 N6 O14 S2 -","2","1","","Capeletti da Silva, Cameron; Coelho, Renan Rezende; de Lima Cirqueira, Marilia; Campos de Melo, Ariane Carla; Landre Rosa, Iara Maria; Ellena, Javier; Martins, Felipe Terra","Salts of the anti-HIV drug lamivudine with phthalic and salicylic acids","CrystEngComm","2012","14","14","4562","","10.1039/c2ce25386k","","","1.54184","CuKα","","0.0598","0.0429","","","0.0933","0.1063","","","","","","1.064","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214994","18.007","0.003","18.007","0.003","19.288","0.004","90","","90","","120","","5416.3","1.7","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H48 Cd3 K N6 O15 -","- C72 H48 Cd3 K N6 O15 -","- C144 H96 Cd6 K2 N12 O30 -","2","0.166667","","Zhou, Xiaojing; Li, Baiyan; Li, Guanghua; zhou, Qi; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescent properties of cadmium(ii) metal organic frameworks based on 3-pyrid-4-ylbenzoic acid, 4-pyrid-4-ylbenzoic acid ligands","CrystEngComm","2012","14","14","4664","","10.1039/c2ce25328c","","","0.71073","MoKα","","0.0746","0.0619","","","0.1541","0.162","","","","","","1.11","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214995","14.498","0.003","14.899","0.003","17.473","0.004","90","","90","","90","","3774.3","1.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C96 H64 Cd4 N8 O16 -","- C96 H64 Cd4 N8 O16 -","- C96 H64 Cd4 N8 O16 -","1","0.125","","Zhou, Xiaojing; Li, Baiyan; Li, Guanghua; zhou, Qi; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescent properties of cadmium(ii) metal organic frameworks based on 3-pyrid-4-ylbenzoic acid, 4-pyrid-4-ylbenzoic acid ligands","CrystEngComm","2012","14","14","4664","","10.1039/c2ce25328c","","","0.71073","MoKα","","0.0599","0.0458","","","0.1393","0.1473","","","","","","1.108","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214996","6.1603","0.0001","6.3726","0.0002","17.9756","0.0005","97.743","0.002","99.269","0.002","96.969","0.002","682.69","0.03","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 N10 O6 Se -","- C4 H16 N10 O6 Se -","- C8 H32 N20 O12 Se2 -","2","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.0223","0.0221","","","0.0763","0.0765","","","","1.87","1.87","1.86","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214997","6.1197","0.0002","6.341","0.0002","17.7076","0.0006","99.528","0.003","98.22","0.003","96.967","0.003","663.26","0.04","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 N10 O6 S -","- C4 H16 N10 O6 S -","- C8 H32 N20 O12 S2 -","2","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.0315","0.027","","","0.0824","0.0848","","","","1.8","1.8","1.74","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214998","6.0701","0.0001","24.6727","0.0006","8.1489","0.0002","90","","93.766","0.002","90","","1217.79","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H7 Cl N5 O0.5 -","- C2 H7 Cl N5 O0.5 -","- C16 H56 Cl8 N40 O4 -","8","2","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54178","CuKα","","0.0298","0.029","","","0.0764","0.0771","","","","","","1.038","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7214999","5.3075","0.0002","7.5977","0.0004","9.161","0.0005","74.424","0.005","84.547","0.004","83.648","0.004","352.84","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 Cl2 N10 O8 -","- C2 H6 Cl N5 O4 -","- C4 H12 Cl2 N10 O8 -","2","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54178","CuKα","","0.0284","0.0278","","","0.0741","0.0745","","","","","","1.064","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7215000","8.1688","0.0001","11.4624","0.0002","7.7423","0.0001","90","","96.106","0.001","90","","720.83","0.018","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N5 O3 P -","- C2 H8 N5 O3 P -","- C8 H32 N20 O12 P4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.0286","0.0281","","","0.0714","0.0718","","","","","","0.883","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215001","9.5195","0.0001","9.1","0.0001","7.4127","0.0001","90","","95.988","0.001","90","","638.64","0.013","120","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 N44 O12 -","- C2 H6 N6 O3 -","- C8 H24 N24 O12 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54178","CuKα","","0.0293","0.0281","","","0.0769","0.0781","","","","","","1.117","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215002","13.3492","0.0004","37.1096","0.0012","6.0702","0.0002","90","","90","","90","","3007.08","0.17","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C2 H8 N5 O4 P -","- C2 H8 N5 O4 P -","- C32 H128 N80 O64 P16 -","16","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.019","0.0189","","","0.0615","0.0617","","","","1.52","1.52","1.52","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215003","15.3484","0.0006","6.9216","0.0003","27.1086","0.0013","90","","99.924","0.004","90","","2836.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 N4 O8 Pb2 -","- C48 H24 N4 O8 Pb2 -","- C96 H48 N8 O16 Pb4 -","2","0.5","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.0592","0.0399","","","0.0921","0.0988","","","","","","1.037","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215004","11.1613","0.0009","24.1334","0.0012","20.5794","0.0015","90","","91.02","0.007","90","","5542.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 Co N5 O10 Pb2 -","- C51 H31 Co N5 O10 Pb2 -","- C204 H124 Co4 N20 O40 Pb8 -","4","1","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.1526","0.0779","","","0.1556","0.1776","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215005","10.2406","0.0005","24.059","0.001","21.2577","0.0008","90","","93.328","0.004","90","","5228.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 N5 Ni O10 Pb2 -","- C51 H31 N5 Ni O10 Pb2 -","- C204 H124 N20 Ni4 O40 Pb8 -","4","1","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.1193","0.0858","","","0.1783","0.1888","","","","","","1.297","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215006","10.9008","0.0002","24.1824","0.0005","20.8565","0.0006","90","","91.678","0.002","90","","5495.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 Cu N5 O10 Pb2 -","- C51 H31 Cu N5 O10 Pb2 -","- C204 H124 Cu4 N20 O40 Pb8 -","4","1","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.0802","0.0566","","","0.1317","0.141","","","","","","1.142","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215007","8.2432","0.0015","11.539","0.0018","16.397","0.002","100.295","0.012","90.639","0.013","107.891","0.015","1456.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 N4 O11 Pb2 V -","- C48 H24 N4 O11 Pb2 V -","- C48 H24 N4 O11 Pb2 V -","1","0.5","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","1.54178","CuKα","","0.1097","0.0898","","","0.2043","0.2161","","","","","","1.006","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215008","9.0802","0.0018","11.246","0.002","19.815","0.006","90","","109.95","0.03","90","","1902","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O4 Zn -","- C19 H20 N4 O4 Zn -","- C76 H80 N16 O16 Zn4 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0905","0.063","","","0.1569","0.1805","","","","","","0.996","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215009","11.524","0.009","12.671","0.01","15.484","0.012","90","","100.353","0.016","90","","2224","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cd N4 O5 -","- C21 H24 Cd N4 O5 -","- C84 H96 Cd4 N16 O20 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.1047","0.0652","","","0.1547","0.1778","","","","","","0.976","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215010","7.3845","0.0008","9.6801","0.0011","16.41","0.002","86.573","0.001","84.202","0.001","83.407","0.001","1157.9","0.2","296","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 N4 O7 Zn -","- C20 H28 N4 O7 Zn -","- C40 H56 N8 O14 Zn2 -","2","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0491","0.042","","","0.1092","0.1137","","","","","","1.096","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215011","8.7106","0.0009","10.4086","0.001","10.9644","0.0011","64.405","0.001","69.956","0.001","77.723","0.002","839.79","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cd N2 O5 -","- C16 H19 Cd N2 O5 -","- C32 H38 Cd2 N4 O10 -","2","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0239","0.0216","","","0.0482","0.0498","","","","","","1.049","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215012","11.413","0.009","17.212","0.013","11.724","0.009","90","","116.24","0.007","90","","2066","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cd N4 O5 -","- C19 H22 Cd N4 O5 -","- C76 H88 Cd4 N16 O20 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0254","0.0222","","","0.0706","0.073","","","","","","1.082","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215013","7.7981","0.0006","16.0351","0.0014","16.4278","0.0013","90","","103.243","0.001","90","","1999.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C80 H88 N16 O16 Zn4 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0459","0.0393","","","0.1001","0.1061","","","","","","1.029","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215014","20.517","0.0017","10.5876","0.0009","21.9335","0.0018","90","","105.419","0.001","90","","4593","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cd N4 O5 -","- C22 H26 Cd N4 O5.5 -","- C176 H208 Cd8 N32 O44 -","8","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0511","0.0399","","","0.1075","0.1179","","","","","","1.021","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215015","5.928","0.0006","18.465","0.002","14.208","0.001","90","","99.259","0.005","90","","1535","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","GBPL4ABA","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute–solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71069","MoKα","","0.0672","0.0446","","","0.1287","0.1539","","","","","","1.131","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215016","5.9663","0.0006","27.045","0.003","9.4703","0.001","90","","107.008","0.002","90","","1461.3","0.3","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","GBPLGA","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute–solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71073","MoKα","","0.0546","0.0445","","","0.1019","0.1067","","","","","","1.099","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215017","6.39","0.0004","10.078","0.0007","12.226","0.0008","81.714","0.003","82.039","0.003","76.597","0.003","753.37","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","GBPL4HBA","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71069","MoKα","","0.0726","0.0482","","","0.1193","0.13","","","","","","1.055","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215018","10.704","0.0003","6.011","0.0004","17.802","0.006","90","","101.372","0.003","90","","1122.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","GBPLFA","","","- C11 H18 N O3 -","- C11 H18 N O3 -","- C44 H72 N4 O12 -","4","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71069","MoKα","","0.1068","0.06","","","0.1771","0.2063","","","","","","1.11","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215019","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 N14 Ni2 O15 -","- C42 H32 N14 Ni2 O15 -","- C168 H128 N56 Ni8 O60 -","4","0.5","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.1399","0.0808","","","0.1471","0.1712","","","","","","1.036","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215020","23.501","0.005","10.181","0.002","10.334","0.002","90","","90","","90","","2472.6","0.9","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C18 H23 Co2 N5 O13 -","- C18 H23 Co2 N5 O13 -","- C72 H92 Co8 N20 O52 -","4","","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0468","0.0435","","","0.0747","0.0758","","","","","","1.059","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215021","17.68","0.004","12.222","0.002","20.171","0.004","90","","95.86","0.03","90","","4335.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 Co2 N10 O14 -","- C43 H38 Co2 N10 O14 -","- C172 H152 Co8 N40 O56 -","4","1","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.095","0.0686","","","0.1492","0.1627","","","","","","0.976","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215022","8.752","0.0018","10.915","0.002","11.035","0.002","76.85","0.03","77.91","0.03","67.61","0.03","940.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N5 Ni O8 -","- C17 H18 N5 Ni O8 -","- C34 H36 N10 Ni2 O16 -","2","1","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0636","0.0475","","","0.1176","0.1247","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215023","8.28","0.0017","28.059","0.006","16.424","0.003","90","","94.02","0.03","90","","3806.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Co2 N10 O12 -","- C32 H24 Co2 N10 O11.99 -","- C128 H96 Co8 N40 O47.96 -","4","1","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0851","0.0658","","","0.139","0.149","","","","","","0.963","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215024","5.5135","0.0002","8.1356","0.0003","47.2858","0.0014","90","","90","","90","","2121.03","0.13","174","2","174","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O2 S2 -","- C25 H26 O2 S2 -","- C100 H104 O8 S8 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.049","0.0477","","","0.1149","0.1157","","","","","","1.155","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215025","11.6776","0.0006","18.6014","0.001","13.2518","0.0007","90","","108.458","0.003","90","","2730.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cu N O2 S2 -","- C27 H26 Cl2 Cu N O2 S2 -","- C108 H104 Cl8 Cu4 N4 O8 S8 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0466","0.0395","","","0.1137","0.1175","","","","","","1.055","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215026","11.2153","0.0003","11.6948","0.0003","12.9855","0.0004","85.089","0.001","65.157","0.001","79.395","0.001","1519.11","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H60 Br2 Cl8 Cu2 O4 S4 -","- C54 H60 Br2 Cl8 Cu2 O4 S4 -","- C54 H60 Br2 Cl8 Cu2 O4 S4 -","1","0.5","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0348","0.0321","","","0.0864","0.0885","","","","","","1.062","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215027","36.215","0.004","13.9659","0.0014","28.036","0.005","90","","125.048","0.004","90","","11609","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C408 H432 Cl16 Cu32 I32 O32 S32 -","8","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0414","0.0363","","","0.0956","0.0993","","","","","","1.073","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215028","17.0726","0.0015","21.8272","0.0018","16.3027","0.0014","90","","110.571","0.004","90","","5687.8","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C204 H216 Cl8 Cu16 I16 O16 S16 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0675","0.0496","","","0.1272","0.1403","","","","","","1.025","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215029","17.84","0.004","11.467","0.002","6.3458","0.0013","90","","101.743","0.003","90","","1271","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H30 Co3 N2 O20 P2 -","- C10 H30 Co3 N2 O20 P2 -","- C20 H60 Co6 N4 O40 P4 -","2","0.25","","Liu, Mei-Juan; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Huang, Jian; Zheng, Li-Min","Cobalt and copper phosphinates based on N-(phosphinomethyl)iminodiacetic acid: supramolecular layered structures and magnetic properties","CrystEngComm","2012","14","14","4699","","10.1039/c2ce00026a","","","0.71073","MoKα","","0.0563","0.0515","","","0.1404","0.1437","","","","","","1.063","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215030","6.705","0.0017","11.2932","0.0011","16.3878","0.0019","90","","90","","90","","1240.9","0.4","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H22 Cu3 N2 O16 P2 -","- C10 H22 Cu3 N2 O16 P2 -","- C20 H44 Cu6 N4 O32 P4 -","2","0.25","","Liu, Mei-Juan; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Huang, Jian; Zheng, Li-Min","Cobalt and copper phosphinates based on N-(phosphinomethyl)iminodiacetic acid: supramolecular layered structures and magnetic properties","CrystEngComm","2012","14","14","4699","","10.1039/c2ce00026a","","","0.71073","MoKα","","0.0451","0.0356","","","0.083","0.0858","","","","","","1.071","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215031","6.4427","0.0013","9.5515","0.0019","10.224","0.002","107.45","0.03","91.15","0.03","101.7","0.03","585.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Fe3 N4 O18 -","- C20 H18 Fe3 N4 O18 -","- C20 H18 Fe3 N4 O18 -","1","0.5","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.103","0.0792","","","0.2211","0.2358","","","","","","1.033","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215032","6.6226","0.0013","9.657","0.0019","9.752","0.002","95.92","0.03","108.9","0.03","94.26","0.03","583.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cu2 N4 O16 -","- C20 H18 Cu2 N4 O16 -","- C20 H18 Cu2 N4 O16 -","1","0.5","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.0689","0.0456","","","0.1121","0.1242","","","","","","1.005","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215033","18.683","0.011","7.826","0.005","37.85","0.02","90","","90","","90","","5534","6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C56 H44 Cd2 N12 O20 -","- C56 H44 Cd2 N12 O20 -","- C224 H176 Cd8 N48 O80 -","4","1","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.1097","0.0779","","","0.1874","0.2439","","","","","","1.048","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215034","9.4252","0.0016","20.219","0.003","7.0187","0.0012","90","","108.742","0.002","90","","1266.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N5 O7 Zn -","- C10 H12 N5 O7 Zn -","- C40 H48 N20 O28 Zn4 -","4","1","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.0715","0.0422","","","0.0889","0.1016","","","","","","0.963","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215035","12.2626","0.0007","13.7872","0.0008","14.7405","0.0009","101.396","0.001","108.921","0.001","98.847","0.001","2246.3","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4- dihydrocarbostyril)","7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]- 3,4-dihydrocarbostyril]","","- C23 H27 Cl2 N3 O2 -","- C23 H27 Cl2 N3 O2 -","- C92 H108 Cl8 N12 O8 -","4","2","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Babu, V. S. Phani; Jagadeesh, Bharatham; Ravikumar, Krishnan","Sixth polymorph of aripiprazole - an antipsychotic drug","CrystEngComm","2012","14","14","4677","","10.1039/c2ce25306b","","x-ray","0.71073","MoKα","","0.0576","0.0463","","","0.1188","0.1277","","","","","","1.026","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215036","15.213","0.003","16.59","0.002","23.677","0.003","90","","97.497","0.016","90","","5924.6","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co3(obc)3(bpy)2)(H2O)","","","- C62 H42 Co3 N4 O16 -","- C62 H40 Co3 N4 O16 -","- C248 H160 Co12 N16 O64 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.1002","0.0697","","","0.181","0.2036","","","","","","1.024","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215037","15.138","0.002","16.501","0.002","25.844","0.004","90","","91.021","0.002","90","","6454.6","1.5","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co3(obc)3(phen)2","","","- C66 H40 Co3 N4 O15 -","- C66 H40 Co3 N4 O15 -","- C264 H160 Co12 N16 O60 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.127","0.0599","","","0.1354","0.1692","","","","","","0.987","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215038","14.271","0.004","17.077","0.004","25.897","0.006","90","","92.986","0.011","90","","6303","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn3(obc)3(bpy)2","","","- C62 H40 Mn3 N4 O15 -","- C62 H40 Mn3 N4 O15 -","- C248 H160 Mn12 N16 O60 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.0665","0.0467","","","0.114","0.1343","","","","","","1.119","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215039","15.2012","0.0011","16.7136","0.0012","25.8544","0.0019","90","","90.26","0.001","90","","6568.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Mn3(obc)3(phen)2)(2H2O)","","","- C66 H44 Mn3 N4 O17 -","- C66 H40 Mn3 N4 O17 -","- C264 H160 Mn12 N16 O68 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.0697","0.0451","","","0.1111","0.124","","","","","","1.033","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215040","15.163","0.005","16.373","0.004","23.383","0.005","90","","97.486","0.018","90","","5756","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Ni3(obc)3(bpy)2)(H2O)","","","- C62 H42 N4 Ni3 O16 -","- C62 H40 N4 Ni3 O16 -","- C248 H160 N16 Ni12 O64 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.1181","0.074","","","0.1867","0.2221","","","","","","1.033","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215041","10.366","0.009","11.154","0.009","12.483","0.01","96.342","0.01","105.741","0.006","104.4","0.004","1320.8","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cu4 I5 N5 -","- C16 H18 Cu4 I5 N5 -","- C32 H36 Cu8 I10 N10 -","2","1","","Fang, Zhenlan; Yang, Wenbin; He, Jiangang; Ding, Kaining; Wu, Xiaoyuan; Zhang, Qisheng; Yu, Rongmin; Lu, Canzhong","Solvothermal synthesis of two new coordination polymers: in situ heterocycle conversion and N-alkylation, network topologies and luminescence properties","CrystEngComm","2012","14","14","4794","","10.1039/c2ce06747a","","","0.71073","MoKα","","0.0698","0.0519","","","0.1311","0.1462","","","","","","0.99","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215042","31.754","0.012","10.712","0.004","21.206","0.008","90","","90","","90","","7213","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H24 Br3 Cu6 N15 -","- C36 H24 Br3 Cu6 N15 -","- C288 H192 Br24 Cu48 N120 -","8","0.5","","Fang, Zhenlan; Yang, Wenbin; He, Jiangang; Ding, Kaining; Wu, Xiaoyuan; Zhang, Qisheng; Yu, Rongmin; Lu, Canzhong","Solvothermal synthesis of two new coordination polymers: in situ heterocycle conversion and N-alkylation, network topologies and luminescence properties","CrystEngComm","2012","14","14","4794","","10.1039/c2ce06747a","","","0.71073","MoKα","","0.0708","0.0633","","","0.1752","0.1831","","","","","","1.022","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215043","29.964","0.002","16.0632","0.0013","8.618","0.0007","90","","101.391","0.002","90","","4066.3","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H60 Co2 N12 O21 -","- C27 H58 Co2 N12 O21 -","- C108 H232 Co8 N48 O84 -","4","0.5","","Wang, Chih-Chieh; Yeh, Chang-Tsung; Cheng, Yi-Ting; Chen, I-Hsuan; Lee, Gene-Hsiang; Shih, Wei-Ju; Sheu, Hwo-Shuenn; Fedorov, Vladimir E.","A hydrogen-bonded and π‒π assembled 3D supramolecular network, [Co(en)3]·1.5(C5O5), with 1D microporous hydrophilic channels showing reversible water ad/de-sorption property","CrystEngComm","2012","14","14","4637","","10.1039/c2ce25327e","","","0.71073","MoKα","","0.1024","0.0655","","","0.1641","0.1936","","","","","","1.081","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215076","11.9856","0.0003","18.2571","0.0003","9.0361","0.0002","90","","94.463","0.001","90","","1971.3","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-[(1H-indol-3-yl)(phenyl)methylene]-3H-indol","3-[(1H-indol-3-yl)(phenyl)methylene]-3H-indole","","- C23 H21 Cl N2 O2 -","- C23 H21 Cl N2 O2 -","- C92 H84 Cl4 N8 O8 -","4","0.5","","Silveira, Claudio C.; Mendes, Samuel R.; Villetti, Marcos A.; Back, Davi F.; Kaufman, Teodoro S.","CeIII-promoted oxidation. Efficient aerobic one-pot eco-friendly synthesis of oxidized bis(indol-3-yl)methanes and cyclic tetra(indolyl)dimethanes","Green Chemistry","2012","14","10","2912","","10.1039/c2gc36131k","","","0.71073","MoKα","","0.0632","0.0528","","","0.157","0.1681","","","","","","1.068","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215077","20.704","0.0005","12.3263","0.0003","21.8634","0.0005","90","","113.463","0.001","90","","5118.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tetra(indolyl)dimethane derivative","Tetra(indolyl)dimethane derivative 2 DMSO","","- C28 H30 N2 O2 S2 -","- C28 H30 N2 O2 S2 -","- C224 H240 N16 O16 S16 -","8","1","","Silveira, Claudio C.; Mendes, Samuel R.; Villetti, Marcos A.; Back, Davi F.; Kaufman, Teodoro S.","CeIII-promoted oxidation. Efficient aerobic one-pot eco-friendly synthesis of oxidized bis(indol-3-yl)methanes and cyclic tetra(indolyl)dimethanes","Green Chemistry","2012","14","10","2912","","10.1039/c2gc36131k","","","0.71073","MoKα","","0.0654","0.0496","","","0.1351","0.1466","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215078","9.7499","0.0004","30.5632","0.0013","8.5329","0.0003","90","","101.967","0.002","90","","2487.44","0.17","180","","180","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N3 O2 P S -","- C27 H28 N3 O2 P S -","- C108 H112 N12 O8 P4 S4 -","4","1","","Keller, Michel; Hameau, Aurélien; Spataro, Grégory; Ladeira, Sonia; Caminade, Anne-Marie; Majoral, Jean-Pierre; Ouali, Armelle","An efficient and recyclable dendritic catalyst able to dramatically decrease palladium leaching in Suzuki couplings","Green Chemistry","2012","14","10","2807","","10.1039/c2gc35832h","","","0.71073","MoKα","","0.0649","0.0413","","","0.0927","0.1032","","","","","","1.019","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215079","16.0609","0.001","18.7305","0.0013","8.9676","0.0006","90","","98.481","0.006","90","","2668.2","0.3","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N3 O2 P S -","- C28 H30 N3 O2 P S -","- C112 H120 N12 O8 P4 S4 -","4","1","","Keller, Michel; Hameau, Aurélien; Spataro, Grégory; Ladeira, Sonia; Caminade, Anne-Marie; Majoral, Jean-Pierre; Ouali, Armelle","An efficient and recyclable dendritic catalyst able to dramatically decrease palladium leaching in Suzuki couplings","Green Chemistry","2012","14","10","2807","","10.1039/c2gc35832h","","x-ray","0.71073","MoKα","","0.121","0.0393","","","0.0432","0.0497","","","","","","0.664","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215080","8.7642","0.0009","10.8437","0.0011","12.1558","0.0012","94.396","0.005","106.808","0.005","109.396","0.005","1023.87","0.19","180","","180","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C21 H23 N2 O2 P S -","- C21 H23 N2 O2 P S -","- C42 H46 N4 O4 P2 S2 -","2","1","","Keller, Michel; Hameau, Aurélien; Spataro, Grégory; Ladeira, Sonia; Caminade, Anne-Marie; Majoral, Jean-Pierre; Ouali, Armelle","An efficient and recyclable dendritic catalyst able to dramatically decrease palladium leaching in Suzuki couplings","Green Chemistry","2012","14","10","2807","","10.1039/c2gc35832h","","x-ray","0.71073","MoKα","","0.0346","0.0324","","","0.0819","0.0837","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215081","12.8415","0.0005","13.0797","0.0005","28.1381","0.0012","90","","109.006","0.001","90","","4468.5","0.3","150","2","150","2","","","","","","","synthesis","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H56 Cl6 N8 O5 P4 Pd2 S2 -","- C25 H56 Cl6 N8 O5 P4 Pd2 S2 -","- C100 H224 Cl24 N32 O20 P16 Pd8 S8 -","4","1","","García-Álvarez, Joaquín; Díez, Josefina; Vidal, Cristian","Pd(ii)-catalyzed cycloisomerisation of γ-alkynoic acids and one-pot tandem cycloisomerisation/CuAAC reactions in water","Green Chemistry","2012","14","11","3190","","10.1039/c2gc36176k","","","0.71073","MoKα","","0.0826","0.0459","","","0.129","0.158","","","","","","0.946","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215082","11.6784","0.0002","5.6853","0.0001","23.4754","0.0003","90","","96.479","0.001","90","","1548.7","0.04","110","2","110","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","- C68 H68 N12 O16 -","4","1","","García-Álvarez, Joaquín; Díez, Josefina; Vidal, Cristian","Pd(ii)-catalyzed cycloisomerisation of γ-alkynoic acids and one-pot tandem cycloisomerisation/CuAAC reactions in water","Green Chemistry","2012","14","11","3190","","10.1039/c2gc36176k","","","1.54184","CuKα","","0.046","0.0389","","","0.0984","0.1055","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215121","7.9807","0.001","8.5886","0.0011","20.424","0.003","90","","96.724","0.004","90","","1390.3","0.3","293","","293","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 K Li2 Mo N O11 -","- C6 H10 K Li2 Mo N O11 -","- C24 H40 K4 Li8 Mo4 N4 O44 -","4","1","","Deb, Dibakar; Duley, Soma; Radenković, Slavko; Bultinck, Patrick; Chattaraj, Pratim K.; Bhattacharjee, Manish","Heterotrimetallic compounds containing Mo-M-Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings.","Physical chemistry chemical physics : PCCP","2012","14","44","15579","15592","10.1039/c2cp42105d","","x-ray","0.71073","MoKα","","0.0511","0.0331","","","0.066","0.071","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215122","7.9395","0.0004","8.6813","0.0004","20.6799","0.001","90","","96.707","0.0013","90","","1415.61","0.12","293","","293","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Li2 Mo N O11 Rb -","- C6 H10 Li2 Mo N O11 Rb -","- C24 H40 Li8 Mo4 N4 O44 Rb4 -","4","1","","Deb, Dibakar; Duley, Soma; Radenković, Slavko; Bultinck, Patrick; Chattaraj, Pratim K.; Bhattacharjee, Manish","Heterotrimetallic compounds containing Mo-M-Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings.","Physical chemistry chemical physics : PCCP","2012","14","44","15579","15592","10.1039/c2cp42105d","","x-ray","0.71073","MoKα","","0.0437","0.0291","","","0.0611","0.0654","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215123","14.0195","0.0013","13.7541","0.0013","7.7115","0.0007","90","","102.829","0.002","90","","1449.9","0.2","293","2","293","2","","","","","","","synthesis as described","7","P 1 2/c 1","-P 2yc","13","","","","- C12 H12 Cs2 Li4 Mo2 N2 O22 -","- C12 H12 Cs2 Li4 Mo2 N2 O22 -","- C24 H24 Cs4 Li8 Mo4 N4 O44 -","2","0.5","","Deb, Dibakar; Duley, Soma; Radenković, Slavko; Bultinck, Patrick; Chattaraj, Pratim K.; Bhattacharjee, Manish","Heterotrimetallic compounds containing Mo-M-Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings.","Physical chemistry chemical physics : PCCP","2012","14","44","15579","15592","10.1039/c2cp42105d","","","0.71073","MoKα","","0.0403","0.032","","","0.0823","0.0859","","","","","","1.065","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215124","3.834","0.0008","9.298","0.0019","28.774","0.006","90","","90.15","0.03","90","","1025.7","0.4","135","2","135","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Moré, René; Scholz, Mirko; Busse, Gehard; Busse, Lennart; Paulmann, Carsten; Tolkiehn, Martin; Techert, Simone","Hydrogen bond dynamics in crystalline β-9-anthracene carboxylic acid–a combined crystallographic and spectroscopic study.","Physical chemistry chemical physics : PCCP","2012","14","29","10187","10195","10.1039/c2cp40216e","","","0.6","Synchrotron","","0.0583","0.0436","","","0.1036","0.1122","","","","","","1.028","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215125","3.81","0.0008","9.29","0.0019","28.77","0.006","90","","90.51","0.03","90","","1018.3","0.4","50","2","50","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Moré, René; Scholz, Mirko; Busse, Gehard; Busse, Lennart; Paulmann, Carsten; Tolkiehn, Martin; Techert, Simone","Hydrogen bond dynamics in crystalline β-9-anthracene carboxylic acid–a combined crystallographic and spectroscopic study.","Physical chemistry chemical physics : PCCP","2012","14","29","10187","10195","10.1039/c2cp40216e","","","0.6","Synchrotron","","0.0717","0.0636","","","0.2052","0.2158","","","","","","1.105","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215126","3.879","0.0008","9.341","0.0019","28.998","0.006","90","","90.53","0.03","90","","1050.7","0.4","260","2","260","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Moré, René; Scholz, Mirko; Busse, Gehard; Busse, Lennart; Paulmann, Carsten; Tolkiehn, Martin; Techert, Simone","Hydrogen bond dynamics in crystalline β-9-anthracene carboxylic acid–a combined crystallographic and spectroscopic study.","Physical chemistry chemical physics : PCCP","2012","14","29","10187","10195","10.1039/c2cp40216e","","","0.6","Synchrotron","","0.1095","0.0563","","","0.1688","0.1952","","","","","","1.027","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215127","16.8136","0.0004","4.719","0.0001","12.9222","0.0003","90","","102.45","0.001","90","","1001.18","0.04","90","2","90","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","2-(2'-hydroxyphenyl)benzimidazole","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","","Konoshima, Hayato; Nagao, Saori; Kiyota, Issui; Amimoto, Kiichi; Yamamoto, Norifumi; Sekine, Masahiko; Nakata, Munetaka; Furukawa, Kazuki; Sekiya, Hiroshi","Excited-state intramolecular proton transfer and charge transfer in 2-(2'-hydroxyphenyl)benzimidazole crystals studied by polymorphs-selected electronic spectroscopy.","Physical chemistry chemical physics : PCCP","2012","14","47","16448","16457","10.1039/c2cp42686b","","x-ray","0.71073","MoKα","","0.0418","0.0399","","","0.1061","0.1126","","","","","","1.074","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215128","3.7658","0.0016","22.03","0.009","5.801","0.002","90","","94.516","0.005","90","","479.8","0.3","90","2","90","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","2-(2'-hydroxyphenyl)benzimidazole","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C26 H20 N4 O2 -","2","1","","Konoshima, Hayato; Nagao, Saori; Kiyota, Issui; Amimoto, Kiichi; Yamamoto, Norifumi; Sekine, Masahiko; Nakata, Munetaka; Furukawa, Kazuki; Sekiya, Hiroshi","Excited-state intramolecular proton transfer and charge transfer in 2-(2'-hydroxyphenyl)benzimidazole crystals studied by polymorphs-selected electronic spectroscopy.","Physical chemistry chemical physics : PCCP","2012","14","47","16448","16457","10.1039/c2cp42686b","","x-ray","0.71073","MoKα","","0.0503","0.0459","","","0.1064","0.1092","","","","","","1.065","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7222867","6.157","","6.157","","6.157","","90","","90","","90","","233.404","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pb Te -","- Pb Te -","- Pb4 Te4 -","4","0.0208333","","Fleischmann, H.; Folberth, O.G.; Pfister, H.","Halbleitende Mischkristalle vom Typ Ax/2 B1-x Cx/2 D","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1959","14","","999","1000","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7229595","11.18241","0.00011","11.18241","0.00011","7.2372","0.00008","90","","90","","120","","783.74","0.014","293","2","293","2","","","","","","","","4","P 63","P 6c","173","Barium Fluoride Borate","","","- B3.51 Ba7 F3.47 O10.53 -","- B3.51 Ba6.991 F3.461 O10.53 -","- B7.02 Ba13.982 F6.922 O21.06 -","2","0.333333","","Bekker, T. B.; Rashchenko, S. V.; Bakakin, V. V.; Seryotkin, Yu. V.; Fedorov, P. P.; Kokh, A. E.; Stonoga, S. Yu.","Phase formation in the BaB2O4‒BaF2‒BaO system and new non-centrosymmetric solid-solution series Ba7(BO3)4−xF2+3x","CrystEngComm","2012","14","20","6910","","10.1039/c2ce26122g","","x-ray","0.71073","MoKα","","0.0258","0.0251","","","0.0545","0.0548","","","","","","1.084","","","","has coordinates","203288","2020-10-21","18:00:00",""
"7238484","8.4026","0.0012","8.5005","0.0011","11.1893","0.0016","94.214","0.011","93.028","0.011","106.597","0.018","761.6","0.2","153","2","153","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C12 H12 Co N2 O6 V2 -","- C12 H12 Co N2 O6 V2 -","- C24 H24 Co2 N4 O12 V4 -","2","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Larrea, Edurne S.; Rojo, Teófilo; Arriortua, María I.","Compositional space diagrams and crystallization sequences in M/Bpa/NaVO3 (M = Ni, Co) systems. Physical properties of [{Ni(H2O)(Bpa)}(VO3)2]·2H2O and {Co(Bpa)}(VO3)2 3D hybrid vanadates","CrystEngComm","2012","14","20","6921","","10.1039/c2ce25426c","","","0.71073","MoKα","","0.0583","0.0293","","","0.0545","0.0603","","","","","","0.851","","","","has coordinates","244190","2020-10-21","18:00:00",""
"7238485","28.258","0.005","9.612","0.005","14.579","0.005","90","0.005","110.191","0.005","90","0.005","3717","2","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 Ni O9 V2 -","- C12 H14 N2 Ni O9 V2 -","- C96 H112 N16 Ni8 O72 V16 -","8","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Larrea, Edurne S.; Rojo, Teófilo; Arriortua, María I.","Compositional space diagrams and crystallization sequences in M/Bpa/NaVO3 (M = Ni, Co) systems. Physical properties of [{Ni(H2O)(Bpa)}(VO3)2]·2H2O and {Co(Bpa)}(VO3)2 3D hybrid vanadates","CrystEngComm","2012","14","20","6921","","10.1039/c2ce25426c","","","0.71073","MoKα","","0.0824","0.0389","","","0.0678","0.0768","","","","","","0.709","","","","has coordinates,has disorder","244190","2020-10-21","18:00:00",""
"7238486","23.9581","0.0009","23.9581","0.0009","29.2285","0.0014","90","","90","","120","","14529.2","1","296","2","296","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C83 H123 N13 O20 Zn -","- C45 O8 Zn -","- C270 O48 Zn6 -","6","0.5","","Han, Zheng-Bo; Liang, Yan-Fang; Zhou, Ming; Zhang, Ya-Ru; Li, Li; Tong, Jian","Two chiral Zn(ii) metal‒organic frameworks with dinuclear Zn2(COO)3 secondary building units: a 2-D (6,3) net and a 3-D 3-fold interpenetrating (3,5)-connected network","CrystEngComm","2012","14","20","6952","","10.1039/c2ce25430a","","","0.71073","MoKα","","0.1937","0.0752","","","0.1767","0.1836","","","","","","1.017","","","","has coordinates","244191","2020-10-21","18:00:00",""
"7238487","23.965","0.003","23.965","0.003","26.192","0.006","90","","90","","120","","13027","4","296","2","296","2","","","","","","","","5","P 61","P 61","169","","","","- C85 H110 N12 O20 Zn2 -","- C53 N O10 Zn2 -","- C318 N6 O60 Zn12 -","6","1","","Han, Zheng-Bo; Liang, Yan-Fang; Zhou, Ming; Zhang, Ya-Ru; Li, Li; Tong, Jian","Two chiral Zn(ii) metal‒organic frameworks with dinuclear Zn2(COO)3 secondary building units: a 2-D (6,3) net and a 3-D 3-fold interpenetrating (3,5)-connected network","CrystEngComm","2012","14","20","6952","","10.1039/c2ce25430a","","","0.71073","MoKα","","0.0832","0.0739","","","0.1947","0.2012","","","","","","1.064","","","","has coordinates","244191","2020-10-21","18:00:00",""
"7238488","7.5043","0.0018","20.894","0.005","7.5043","0.0018","90","","90.58","","90","","1176.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C44 H48 N8 O24 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0486","0.0442","","","0.1182","0.1228","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238489","6.5078","0.0011","19.897","0.002","10.9177","0.0018","90","","90","","90","","1413.7","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O7 -","- C12 H17 N3 O7 -","- C48 H68 N12 O28 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.043","0.0368","","","0.0844","0.0887","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238490","10.3173","0.0014","7.4516","0.0012","26.221","0.004","90","","90","","90","","2015.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C80 H88 N8 O32 -","8","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0712","0.053","","","0.1177","0.127","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238491","8.4396","0.0014","8.5941","0.0015","8.9356","0.0015","88.535","0.004","84.804","0.004","66.083","0.004","589.98","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C22 H30 N2 O12 -","2","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0552","0.0487","","","0.1279","0.1344","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238492","12.0146","0.0009","9.6205","0.0007","11.997","0.0009","90","","114.803","0.001","90","","1258.78","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0833","0.0782","","","0.2502","0.2579","","","","","","1.057","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238493","12.941","0.003","11.979","0.002","7.0729","0.0012","90","","102.278","0.004","90","","1071.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C44 H52 N4 O16 -","2","0.5","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0796","0.0541","","","0.1478","0.1678","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238494","14.95","0.002","7.5242","0.0015","16.563","0.003","90","","92.834","0.002","90","","1860.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O6 -","- C19 H23 N O6 -","- C76 H92 N4 O24 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.082","0.0622","","","0.1836","0.2038","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238495","10.875","0.004","13.254","0.003","14.054","0.003","90","","109.04","0.04","90","","1914.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N O3 -","- C10 H10 N O3 -","- C80 H80 N8 O24 -","8","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1779","0.077","","","0.1543","0.2005","","","","","","1.002","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238496","7.2391","0.0014","8.013","0.0016","13.094","0.003","106.01","0.03","102.96","0.03","94.23","0.03","704","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C26 H32 N4 O8 -","2","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1462","0.0881","","","0.2044","0.2523","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238497","13.15","0.003","13.022","0.003","7.241","0.0014","90","","90","","90","","1239.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1216","0.0607","","","0.1158","0.1395","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238498","10.446","0.002","7.5939","0.0015","30.513","0.006","90","","99","0.03","90","","2390.7","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co3 N8 O32 Sm2 -","- C40 H32 Co3 N8 O32 Sm2 -","- C80 H64 Co6 N16 O64 Sm4 -","2","0.5","","Xu, Hong-Yu; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Three 3d‒4f heterometallic complexes constructed from oxalic acid and benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","20","6869","","10.1039/c2ce25859e","","","0.71073","MoKα","","0.0679","0.0554","","","0.1365","0.1436","","","","","","1.04","","","","has coordinates","244195","2020-10-21","18:00:00",""
"7238499","10.477","0.002","7.6575","0.0015","30.456","0.006","90","","99.06","0.03","90","","2412.9","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co3 N8 O32 Pr2 -","- C40 H32 Co3 N8 O32 Pr2 -","- C80 H64 Co6 N16 O64 Pr4 -","2","0.5","","Xu, Hong-Yu; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Three 3d‒4f heterometallic complexes constructed from oxalic acid and benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","20","6869","","10.1039/c2ce25859e","","","0.71073","MoKα","","0.0346","0.0312","","","0.0738","0.0758","","","","","","1.04","","","","has coordinates","244195","2020-10-21","18:00:00",""
"7238500","10.467","0.002","7.6374","0.0015","30.492","0.006","90","","99.05","0.03","90","","2407.2","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co3 N8 Nd2 O32 -","- C40 H32 Co3 N8 Nd2 O32 -","- C80 H64 Co6 N16 Nd4 O64 -","2","0.5","","Xu, Hong-Yu; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Three 3d‒4f heterometallic complexes constructed from oxalic acid and benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","20","6869","","10.1039/c2ce25859e","","","0.71073","MoKα","","0.0319","0.0285","","","0.0688","0.0707","","","","","","1.027","","","","has coordinates","244195","2020-10-21","18:00:00",""
"7238501","9.66","0.009","9.651","0.009","13.59","0.012","90","","128.17","0.05","90","","996.1","1.7","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) chloride","","- C20 H24 Cl Fe N4 O4 -","- C20 H24 Cl Fe N4 O4 -","- C40 H48 Cl2 Fe2 N8 O8 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang","Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand","CrystEngComm","2012","14","20","7015","","10.1039/c2ce25862e","","","0.71073","MoKα","","0.057","0.0306","","","0.0604","0.0657","","","","","","0.98","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238502","9.9131","0.0004","9.6378","0.0004","13.735","0.0007","90","","129.198","0.003","90","","1016.95","0.09","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) chloride","","- C20 H24 Br Fe N4 O4 -","- C20 H24 Br Fe N4 O4 -","- C40 H48 Br2 Fe2 N8 O8 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang","Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand","CrystEngComm","2012","14","20","7015","","10.1039/c2ce25862e","","","0.71073","MoKα","","0.0416","0.0297","","","0.0774","0.08","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238503","10.168","0.003","9.68","0.003","13.871","0.004","90","","130.17","0.02","90","","1043.2","0.6","160","2","160","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) iodide","","- C20 H24 Fe I N4 O4 -","- C20 H24 Fe I N4 O4 -","- C40 H48 Fe2 I2 N8 O8 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang","Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand","CrystEngComm","2012","14","20","7015","","10.1039/c2ce25862e","","","0.71073","MoKα","","0.083","0.062","","","0.154","0.1624","","","","","","1.107","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238504","36.256","0.004","54.989","0.005","16.0501","0.0014","90","","90","","90","","31999","5","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Cl2 La N21 O34.5 -","- C50 H60 Cl2 La N20 O13 -","- C800 H960 Cl32 La16 N320 O208 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0759","0.0744","","","0.1931","0.1945","","","","","","1.012","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238505","14.7746","0.0011","20.9988","0.0014","26.1823","0.0018","100.806","0.003","98.196","0.003","94.875","0.003","7845.2","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H117 Cl2 Dy4 N40 O36 -","- C100 H117 Cl2 Dy4 N40 O36 -","- C200 H234 Cl4 Dy8 N80 O72 -","2","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.067","0.044","","","0.0855","0.0904","","","","","","1.03","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238506","26.288","0.011","28.856","0.012","20.917","0.009","90","","100.996","0.005","90","","15576","11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H100 Cl6 Er2 N20 O30 -","- C50 H60 Cl2 Er2 N20 O17 -","- C400 H480 Cl16 Er16 N160 O136 -","8","2","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.122","0.0679","","","0.1533","0.1688","","","","","","1.025","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238507","26.324","0.007","28.868","0.007","20.957","0.005","90","","100.9","0.003","90","","15638","7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H100 Cl6 Ho2 N20 O30 -","- C50 H60 Cl2 Ho2 N20 O17 -","- C400 H480 Cl16 Ho16 N160 O136 -","8","2","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.1415","0.0862","","","0.165","0.1857","","","","","","1.003","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238508","26.971","0.004","18.358","0.003","30.331","0.007","90","","114.565","0.002","90","","13659","4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 Cl2 N21 Nd O29 -","- C50 H60 Cl2 N20 Nd O12 -","- C400 H480 Cl16 N160 Nd8 O96 -","8","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0931","0.0762","","","0.2158","0.2296","","","","","","1.03","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238509","35.89","0.008","55.191","0.012","16.106","0.004","90","","90","","90","","31903","13","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Cl2 N21 O34.5 Pr -","- C50 H60 Cl2 N20 O13 Pr -","- C800 H960 Cl32 N320 O208 Pr16 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0647","0.0593","","","0.1528","0.157","","","","","","1.01","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238510","27.1046","0.0013","18.3417","0.0009","30.4416","0.0015","90","","114.564","0.002","90","","13764.2","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 Cl2 N21 O29 Sm -","- C50 H60 Cl2 N20 O12 Sm -","- C400 H480 Cl16 N160 O96 Sm8 -","8","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0704","0.0533","","","0.1452","0.1538","","","","","","1.002","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238511","35.869","0.015","55.15","0.02","16.021","0.006","90","","90","","90","","31692","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Ce Cl2 N21 O34.5 -","- C50 H57 Ce Cl2 N20 O13 -","- C800 H912 Ce16 Cl32 N320 O208 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.109","0.0793","","","0.1874","0.2014","","","","","","1.002","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238512","11.06","0.03","16.45","0.04","10.99","0.04","90","","111.4","0.2","90","","1862","10","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","EDO-TTF-U","","","- C16 H16 N2 O4 S4 -","- C16 H16 N2 O4 S4 -","- C64 H64 N8 O16 S16 -","4","1","","Murata, Tsuyoshi; Umemoto, Yoshikazu; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Modulation of charge-transfer complexes assisted by complementary hydrogen bonds of nucleobases: TCNQ complexes of a uracil-substituted EDO-TTF","CrystEngComm","2012","14","20","6881","","10.1039/c2ce25889g","","","0.71075","MoKα","","0.181","0.0994","","","0.2333","0.341","","","","","","0.928","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238513","7.2485","0.0013","10.373","0.002","16.028","0.003","89.459","0.009","77.009","0.007","79.014","0.008","1152.1","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","(EDO-TTF-U)2(TCNQ)","","","- C44 H36 N8 O8 S8 -","- C44 H36 N8 O8 S8 -","- C44 H36 N8 O8 S8 -","1","0.5","","Murata, Tsuyoshi; Umemoto, Yoshikazu; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Modulation of charge-transfer complexes assisted by complementary hydrogen bonds of nucleobases: TCNQ complexes of a uracil-substituted EDO-TTF","CrystEngComm","2012","14","20","6881","","10.1039/c2ce25889g","","","0.7107","MoKα","","0.0765","0.0447","","","0.1074","0.177","","","","","","0.984","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238514","12.3811","0.0005","12.3811","0.0005","41.398","0.003","90","","90","","120","","5495.8","0.5","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","(Co(N4C6H18)(H2O))3V15Sb6O42(H2O)H2O","","","- C18 H58 Co3 N12 O47 Sb6 V15 -","- C18 H54 Co3 N12 O47.6 Sb6 V15 -","- C54 H162 Co9 N36 O142.8 Sb18 V45 -","3","0.333333","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.0355","0.0301","","","0.0703","0.0724","","","","","","0.996","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7238515","27.8795","0.0011","22.9567","0.0009","32.2932","0.0013","90","","113.717","0.004","90","","18922.8","1.4","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H214 Co6 N42 O97 Sb12 V30 -","- C62 H188 Co6 N42 O97 Sb12 V30 -","- C248 H752 Co24 N168 O388 Sb48 V120 -","4","1","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.073","0.047","","","0.1198","0.1315","","","","","","0.966","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7238516","30.601","0.006","13.901","0.003","23.093","0.005","90","","128.1","0.03","90","","7730","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H90 Co2 N16 O49 Sb4 V16 -","- C24 H76 Co2 N16 O49 Sb4 V16 -","- C96 H304 Co8 N64 O196 Sb16 V64 -","4","0.5","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.0414","0.0314","","","0.0608","0.0634","","","","","","1.1","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7238517","8.9771","0.0006","11.0283","0.0007","12.0901","0.0006","74.718","0.005","85","0.005","81.608","0.006","1140.77","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O5 Zn -","- C23 H18 N8 O5 Zn -","- C46 H36 N16 O10 Zn2 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0563","0.0418","","","0.0838","0.0925","","","","","","1.057","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238518","22.1231","0.001","12.5698","0.0004","18.1222","0.0007","90","","109.511","0.005","90","","4750.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N8 O4 Zn -","- C23 H16 N8 O4 Zn -","- C184 H128 N64 O32 Zn8 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0559","0.036","","","0.0745","0.0816","","","","","","1.026","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238519","10.817","0.0005","11.0298","0.0007","11.3773","0.0006","114.656","0.006","104.715","0.004","95.911","0.005","1159","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O5 Zn -","- C23 H18 N8 O5 Zn -","- C46 H36 N16 O10 Zn2 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0627","0.0469","","","0.1096","0.1192","","","","","","1.036","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238520","25.9785","0.0007","10.1939","0.0002","19.4052","0.0005","90","","101.07","0.003","90","","5043.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 N8 O7.5 Zn2 -","- C24 H16 N8 O7.5 Zn2 -","- C192 H128 N64 O60 Zn16 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0555","0.0432","","","0.1039","0.1114","","","","","","1.026","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238521","11.8534","0.0005","15.0975","0.0005","12.565","0.0005","90","","111.268","0.005","90","","2095.45","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N8 O6 Zn -","- C20 H17 N8 O6 Zn -","- C80 H68 N32 O24 Zn4 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0556","0.0414","","","0.1053","0.1157","","","","","","1.041","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238522","9.7186","0.0005","11.4928","0.0006","11.6881","0.0006","63.618","0.005","80.197","0.005","81.893","0.004","1149.28","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O5 Zn -","- C23 H18 N8 O5 Zn -","- C46 H36 N16 O10 Zn2 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0881","0.0565","","","0.1093","0.1252","","","","","","1.016","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238523","9.8552","0.0003","23.1468","0.0008","10.2245","0.0004","90","","98.033","0.003","90","","2309.49","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N8 O6 Zn -","- C23 H20 N8 O6 Zn -","- C92 H80 N32 O24 Zn4 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0767","0.0474","","","0.0804","0.0897","","","","","","1.015","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238524","25.5723","0.0013","10.2646","0.0003","20.2916","0.0009","90","","112.618","0.006","90","","4916.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N8 O8 Zn2 -","- C24 H18 N8 O8 Zn2 -","- C192 H144 N64 O64 Zn16 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0737","0.0443","","","0.0777","0.0868","","","","","","1.01","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238525","11.9521","0.001","12.4769","0.0012","12.7864","0.001","117.498","0.005","99.008","0.006","103.867","0.006","1561","0.3","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H20 O -","- C10 H20 O -","- C60 H120 O6 -","6","3","","Corvis, Yohann; Négrier, Philippe; Massip, Stéphane; Leger, Jean-Michel; Espeau, Philippe","Insights into the crystal structure, polymorphism and thermal behavior of menthol optical isomers and racemates","CrystEngComm","2012","14","20","7055","","10.1039/c2ce26025e","","","1.5418","CuKα","","0.0817","0.064","","","0.1528","0.1683","","","","","","1.02","","","","has coordinates,has disorder","244201","2020-10-21","18:00:00",""
"7238526","10.1137","0.0008","8.512","0.0007","13.9992","0.0012","90","","110.61","0.001","90","","1128.03","0.16","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cytosinium-2,5-dihydroxybenzoate","","","- C11 H11 N3 O5 -","- C11 H11 N3 O5 -","- C44 H44 N12 O20 -","4","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine–carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0374","0.0347","","","0.0906","0.0926","","","","","","1.087","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238527","5.0257","0.0003","24.5327","0.0015","13.1664","0.0008","90","","90.462","0.001","90","","1623.29","0.17","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cytosinium-3,5-dinitrobenzoate trihydrate","","","- C11 H15 N5 O10 -","- C11 H15 N5 O10 -","- C44 H60 N20 O40 -","4","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0702","0.0647","","","0.1312","0.1338","","","","","","1.248","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238528","14.9164","0.001","12.3456","0.0008","19.9754","0.0013","90","","90","","90","","3678.5","0.4","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cytosinium 4-hydroxyphenylacetate cytosine monohydrate","","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C128 H160 N48 O48 -","8","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine–carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0395","0.0356","","","0.0934","0.0965","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238529","7.3666","0.0003","6.4615","0.0003","36.9629","0.0016","90","","94.462","0.001","90","","1754.08","0.13","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cytosinium para amino benzoate cytosine monohydrate","","","- C15 H19 N7 O5 -","- C15 H19 N7 O5 -","- C60 H76 N28 O20 -","4","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine–carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0548","0.0514","","","0.1415","0.145","","","","","","1.117","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238530","6.6211","0.0004","12.0765","0.0008","17.3375","0.0011","105.37","0.006","90.852","0.005","91.274","0.005","1336.08","0.15","293","2","293.15","","","","","","","","","2","P -1","-P 1","2","","","","- C39 H27 -","- C39 H27 -","- C78 H54 -","2","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.1193","0.0661","","","0.1291","0.1495","","","","","","1.051","","","","has coordinates,has disorder","244203","2020-10-21","18:00:00",""
"7238531","5.5771","0.0003","12.0652","0.0006","25.9356","0.0012","90","","90","","90","","1745.18","0.15","293","2","293.15","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.087","0.0474","","","0.0858","0.0995","","","","","","0.98","","","","has coordinates","301866","2025-08-22","21:38:35",""
"7238532","12.5169","0.0017","6.1861","0.0007","12.2167","0.0018","90","","110.239","0.015","90","","887.5","0.2","293","2","293.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 -","- C13 H9 -","- C52 H36 -","4","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.1165","0.0617","","","0.142","0.1743","","","","","","1.037","","","","has coordinates,has disorder","244203","2020-10-21","18:00:00",""
"7247934","12.328","0.002","8.7496","0.0015","15.981","0.003","90","","102.026","0.003","90","","1686","0.5","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","R- (3,3'-phenyl)-5,5'6,6',7',8,8'-octahydro-[1,1'-dinaphthalene]-2,2'-diol","","- C39.2 H51.6 O5.6 -","- C32 H30 O2 -","- C64 H60 O4 -","2","1","","Li, Fangxiu; Sun, Yue; Sun, Xiaoxia; Hu, Yu","Self-assembled bamboo-like carbon nanotubes based on chiral H8BINOL sensors to recognize cinchonidine efficiently by diastereoisomer complexes","RSC Advances","2024","14","2","1134","1140","10.1039/D3RA08143E","","","0.71073","MoKα","","0.1243","0.0859","","","0.2423","0.2788","","","","","","1.015","","","","has coordinates,has disorder","288623","2024-01-03","02:33:43",""
"7247935","7.5547","0.0008","10.3453","0.0011","11.0141","0.0012","87.479","0.003","80.687","0.002","70.175","0.001","799.07","0.15","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl N O2 S -","- C16 H16 Cl N O2 S -","- C32 H32 Cl2 N2 O4 S2 -","2","1","","Huang, Yu-Wen; Li, Jia-Zhuo; Yang, Feng; Zhang, Xi-Yu; Wang, Yan-Jing; Meng, Xin-Chao; Leng, Bo-Rong; Wang, De-Cai; Zhu, Yi-Long","Photocatalytic selective synthesis of (E)-β-aminovinyl sulfones and (E)-β-amidovinyl sulfones using Ru(bpy)3Cl2 as the catalyst","RSC Advances","2024","14","1","700","706","10.1039/D3RA08272E","","","0.71073","MoKα","","0.065","0.0489","","","0.1372","0.148","","","","","","1.088","","","","has coordinates","288624","2024-01-03","02:34:10",""
"7247936","11.3419","0.0006","12.6437","0.0007","15.4793","0.0009","89.5519","0.0019","87.0296","0.0019","76.7371","0.0018","2157.7","0.2","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 F3 N2 O2 -","- C25 H19 F3 N2 O2 -","- C100 H76 F12 N8 O8 -","4","2","","Zhou, Feng-Ji; Zhu, Bao-Lei; Huang, Zhen-Hui; Lin, Ning; Zhang, Zhen-Wei","DBU-catalyzed diastereoselective 1,3-dipolar [3+2] cycloaddition of trifluoroethyl amine-derived isatin ketimines with chalcones: synthesis of 5′-CF3-substituted 3,2′-pyrrolidinyl spirooxindoles","RSC Advances","2024","14","1","548","551","10.1039/D3RA08127C","","","0.71076","MoKα","","0.1225","0.0635","","","0.1481","0.181","","","","","","1.0546","","","","has coordinates","298703","2025-04-03","05:34:23",""
"7247937","6.011","0.003","15.789","0.008","21.392","0.011","73.242","0.006","83.793","0.007","86.176","0.006","1931.3","1.7","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H36 N2 O5 Zn -","- C50 H36 N2 O5 Zn -","- C100 H72 N4 O10 Zn2 -","2","1","","Hossain, Ersad; Hazra, Abhijit; Datta, Sourav; Khan, Samim; Pramanik, Samit; Banerjee, Priyabrata; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Facile construction of an anthracene-decorated highly luminescent coordination polymer for the selective detection of explosive nitroaromatics and the mutagenic pollutant TNP","RSC Advances","2024","14","1","397","404","10.1039/D3RA06926E","","","0.71073","MoKα","","0.0555","0.0409","","","0.0903","0.0967","","","","","","1.032","","","","has coordinates,has disorder","288626","2024-01-03","02:35:07",""
"7247938","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 (1-indolizinyl) (diaryl)-methanamines via chiral phosphoric acid catalysis","RSC Advances","2024","14","2","1106","1113","10.1039/D3RA07636A","","","0.71073","MoKα","","0.0951","0.0516","","","0.1104","0.1289","","","","","","1.008","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247939","7.2177","0.0003","9.2009","0.0004","27.0007","0.0017","90","","90","","90","","1793.1","0.16","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Mebendazolium mesylate anhydride salt","","- C17 H17 N3 O6 S -","- C17 H17 N3 O6 S -","- C68 H68 N12 O24 S4 -","4","1","","Gutiérrez, Eduardo L.; Godoy, Agustín A.; Brusau, Elena V.; Vega, Daniel; Narda, Griselda E.; Suárez, Sebastián; Di Salvo, Florencia","Mebendazolium mesylate anhydride salt: rational design based on supramolecular assembly, synthesis, and solid-state characterization","RSC Advances","2024","14","1","181","192","10.1039/D3RA07422F","","x-ray","1.54184","CuKα","","0.0773","0.0628","","","0.1717","0.1814","","","","","","1.123","","","","has coordinates","288628","2024-01-03","02:36:08",""
"7247940","15.6599","0.0013","16.5029","0.0014","17.2608","0.0014","90","","90","","90","","4460.8","0.6","240","2","240","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","Phe(Me)ASC","cyclo(Phe(Me)-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz).MeCN","","- C42 H55 N9 O6 S2 -","- C42 H55 N9 O6 S2 -","- C168 H220 N36 O24 S8 -","4","1","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","0.71073","MoKα","","0.0717","0.0681","","","0.1719","0.1749","","","","","","1.096","","","","has coordinates","288629","2024-01-03","02:37:30",""
"7247941","13.7742","0.0006","21.713","0.0016","15.1389","0.0006","90","","91.337","0.004","90","","4526.5","0.4","100","","100","","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","Phe(4I)_ASC","","- C41 H53.5 I N8.5 O6.5 S2 -","- C41 H53 I N8.5 O6.5 S2 -","- C164 H212 I4 N34 O26 S8 -","4","2","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.1296","0.1093","","","0.293","0.3125","","","","","","1.17","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7247942","9.4424","0.0004","9.8919","0.0004","12.937","0.0006","80.097","0.004","80.867","0.004","84.776","0.004","1172.74","0.09","100","","100","","","","","","","","synthesis","6","P 1","P 1","1","","Phe(4cf3)_ASC","","- C43 H53 F3 N8 O7 S2 -","- C43 H53 F3 N8 O7 S2 -","- C43 H53 F3 N8 O7 S2 -","1","1","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.1541","0.1268","","","0.355","0.3792","","","","","","1.5","","","","has coordinates","288629","2024-01-03","02:37:31",""
"7247943","9.3885","0.0001","10.0778","0.0002","13.0183","0.0002","82.659","0.001","86.078","0.001","80.131","0.001","1202.19","0.03","100","","100","","","","","","","","synthesis","5","P 1","P 1","1","","Phe(tbu)_ASC","","- C45 H63 N9 O7 S2 -","- C45 H63 N9 O7 S2 -","- C45 H63 N9 O7 S2 -","1","1","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.0478","0.0462","","","0.1315","0.1343","","","","","","1.047","","","","has coordinates","288629","2024-01-03","02:37:31",""
"7247944","15.648","0.0001","16.8169","0.0002","16.1537","0.0002","90","","95.683","0.001","90","","4229.97","0.08","100","","100","","","","","","","","synthesis","6","P 1 21 1","P 2yb","4","","Phe(4Br)_ASC","","- C40 H50.5 Br N8.5 O6 S2 -","- C40 H50.5 Br N8.5 O6 S2 -","- C160 H202 Br4 N34 O24 S8 -","4","2","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.0828","0.0719","","","0.1901","0.2378","","","","","","1.069","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7247945","15.6272","0.0002","16.6962","0.0002","16.1368","0.0002","90","","95.44","0.001","90","","4191.37","0.09","90","","90","","","","","","","","","6","P 1 21 1","P 2yb","4","","Phe(4Cl)_ASC","","- C40 H50.5 Cl N8.5 O6 S2 -","- C40 H50.5 Cl N8.5 O6 S2 -","- C160 H202 Cl4 N34 O24 S8 -","4","2","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","1.54184","CuKα","","0.0436","0.0428","","","0.1329","0.1337","","","","","","0.718","","","","has coordinates","288629","2024-01-03","02:37:31",""
"7247946","10.2257","0.0009","14.332","0.0016","14.3731","0.0014","106.76","0.004","110.599","0.004","105.352","0.004","1723.2","0.3","150","","150","","","","","","","","","7","P 1","P 1","1","","","","- C20 H52.78 Cr2 Cu4 Mo12 N12 O61.39 -","- C20 H50.8 Cr2 Cu4 Mo12 N12 O61.4 -","- C20 H50.8 Cr2 Cu4 Mo12 N12 O61.4 -","1","1","","Tan, Hong-Ru; Zhou, Xiang; Gong, Tengfei; You, Hanqi; Zheng, Qi; Zhao, Sheng-Yin; Xuan, Weimin","Anderson-type polyoxometalate-based metal–organic framework as an efficient heterogeneous catalyst for selective oxidation of benzylic C–H bonds","RSC Advances","2024","14","1","364","372","10.1039/D3RA07120K","","x-ray","0.71073","MoKα","","0.0587","0.0506","","","0.1169","0.1251","","","","","","1.026","","","","has coordinates,has disorder","288630","2024-01-03","02:38:15",""
"7247951","12.387","0.003","6.2596","0.0017","33.747","0.009","90","","91.613","0.003","90","","2615.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Fe O4 Se2 -","- C28 H26 Fe O4 Se2 -","- C112 H104 Fe4 O16 Se8 -","4","1","","Yang, Zhuo; Wang, Jinshan; Li, Aimin; Wang, Chao; Ji, Wei; Pires, Elísabet; Yang, Wenzhong; Jing, Su","Ferrocenylselenoether and its cuprous cluster modified TiO2 as visible-light photocatalyst for the synergistic transformation of N-cyclic organics and Cr(vi)","RSC Advances","2024","14","2","1488","1500","10.1039/D3RA07390D","","","0.71073","MoKα","","0.1038","0.0785","","","0.1908","0.1999","","","","","","1.101","","","","has coordinates","288672","2024-01-04","02:24:50",""
"7248030","12.95","0.0006","20.3971","0.0011","15.0471","0.0007","90","","100.379","0.001","90","","3909.5","0.3","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54.02 H76.29 Cd2 Cl8 N27.98 O22 -","- C54.04 H76.294 Cd2 Cl8 N27.974 O22 -","- C108.08 H152.588 Cd4 Cl16 N55.948 O44 -","2","0.5","","Ye, Yanan; Ma, Peihua; Ma, Yue; Yang, Naqin; Chen, Xiaoqian; Yang, Xinan; Shen, Lingyi; Xiao, Xin","Study on the host–guest interactions between tetramethyl cucurbit[6]uril and 2-heterocyclic-substituted benzimidazoles","RSC Advances","2024","14","4","2652","2658","10.1039/D3RA07810H","","","0.71073","MoKα","","0.0924","0.0798","","","0.2304","0.2403","","","","","","1.115","","","","has coordinates,has disorder","289115","2024-01-17","02:32:43",""
"7248031","23.088","0.006","11.877","0.003","15.998","0.007","90","","131.526","0.006","90","","3284.3","1.9","290","","290","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H54 N27 O12 -","- C52 H50 N27 O12 -","- C104 H100 N54 O24 -","2","0.5","","Ye, Yanan; Ma, Peihua; Ma, Yue; Yang, Naqin; Chen, Xiaoqian; Yang, Xinan; Shen, Lingyi; Xiao, Xin","Study on the host–guest interactions between tetramethyl cucurbit[6]uril and 2-heterocyclic-substituted benzimidazoles","RSC Advances","2024","14","4","2652","2658","10.1039/D3RA07810H","","","0.71073","MoKα","","0.1868","0.1215","","","0.3162","0.3638","","","","","","1.222","","","","has coordinates","289115","2024-01-17","02:32:46",""
"7248032","13.5914","0.001","17.2592","0.0012","33.599","0.002","82.721","0.002","79.158","0.002","72.244","0.002","7351.8","0.9","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C106 H108 Cl12 N52 O24 Zn3 -","- C106 H108 Cl12 N52 O24 Zn3 -","- C212 H216 Cl24 N104 O48 Zn6 -","2","1","","Ye, Yanan; Ma, Peihua; Ma, Yue; Yang, Naqin; Chen, Xiaoqian; Yang, Xinan; Shen, Lingyi; Xiao, Xin","Study on the host–guest interactions between tetramethyl cucurbit[6]uril and 2-heterocyclic-substituted benzimidazoles","RSC Advances","2024","14","4","2652","2658","10.1039/D3RA07810H","","","0.71073","MoKα","","0.1579","0.1082","","","0.3069","0.3315","","","","","","1.043","","","","has coordinates,has disorder","289115","2024-01-17","02:32:47",""
"7248037","15.7011","0.0014","15.7011","0.0014","29.337","0.003","90","","90","","90","","7232.3","1.2","103","2","103","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C44 H36 N6 O5 -","- C44 H36 N6 O5 -","- C352 H288 N48 O40 -","8","0.5","","Patil, Baliram R.; Nichinde, Chandrakant B.; Chaudhari, Suryakant S.; Krishna, Gamidi Rama; Kinage, Anil K.","Organocatalyzed [4 + 2] cycloaddition of α,β-unsaturated ketones and isatylidene malononitrile: accessing spiro[3-arylcyclohexanone]oxindole derivatives","RSC Advances","2024","14","5","2873","2877","10.1039/D3RA07652K","","","0.71073","MoKα","","0.0459","0.0374","","","0.0906","0.0967","","","","","","1.016","","","","has coordinates","289135","2024-01-18","02:48:46",""
"7248038","9.9591","0.0004","17.0919","0.0006","11.8583","0.0005","90","","105.357","0.001","90","","1946.45","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C96 H84 N12 O8 -","4","1","","Patil, Baliram R.; Nichinde, Chandrakant B.; Chaudhari, Suryakant S.; Krishna, Gamidi Rama; Kinage, Anil K.","Organocatalyzed [4 + 2] cycloaddition of α,β-unsaturated ketones and isatylidene malononitrile: accessing spiro[3-arylcyclohexanone]oxindole derivatives","RSC Advances","2024","14","5","2873","2877","10.1039/D3RA07652K","","","0.71073","MoKα","","0.057","0.0513","","","0.1228","0.1271","","","","","","1.027","","","","has coordinates","289135","2024-01-18","02:48:50",""
"7248090","11.19","0.0005","13.4371","0.0005","7.0568","0.0003","90","","98.472","0.003","90","","1049.49","0.08","299.82","0.1","299.82","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","MTQ","","- C27 H16 N4 -","- C27 H15.5 N4 -","- C54 H31 N8 -","2","0.25","","Wen, Xinyi; Shao, Yixin; Chen, Ye-Tao; He, Jiaxing; Chen, Shun-Li; Dang, Li; Li, Ming-De","Dual-rotor strategy for organic cocrystals with enhanced near-infrared photothermal conversion","RSC Advances","2024","14","7","4503","4508","10.1039/D4RA00002A","","x-ray","1.54184","CuKα","","0.0691","0.0609","","","0.1871","0.197","","","","","","1.093","","","","has coordinates,has disorder","289299","2024-02-03","02:24:46",""
"7248091","6.7935","0.0003","8.9755","0.0004","17.3317","0.0007","102.064","0.004","90.087","0.003","96.951","0.004","1025.47","0.08","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","DTQ","","- C28 H18 N4 -","- C28 H18 N4 -","- C56 H36 N8 -","2","1","","Wen, Xinyi; Shao, Yixin; Chen, Ye-Tao; He, Jiaxing; Chen, Shun-Li; Dang, Li; Li, Ming-De","Dual-rotor strategy for organic cocrystals with enhanced near-infrared photothermal conversion","RSC Advances","2024","14","7","4503","4508","10.1039/D4RA00002A","","x-ray","1.54184","CuKα","","0.0407","0.0389","","","0.1103","0.1122","","","","","","1.04","","","","has coordinates","289299","2024-02-03","02:24:47",""
"7248092","7.7988","0.0002","8.4619","0.0002","16.7251","0.0004","82.874","0.002","80.374","0.002","83.233","0.002","1074.46","0.05","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","DFQ","","- C28 H14 F4 N4 -","- C28 H14 F4 N4 -","- C56 H28 F8 N8 -","2","1","","Wen, Xinyi; Shao, Yixin; Chen, Ye-Tao; He, Jiaxing; Chen, Shun-Li; Dang, Li; Li, Ming-De","Dual-rotor strategy for organic cocrystals with enhanced near-infrared photothermal conversion","RSC Advances","2024","14","7","4503","4508","10.1039/D4RA00002A","","x-ray","1.54184","CuKα","","0.0386","0.0371","","","0.0991","0.1007","","","","","","1.068","","","","has coordinates","289299","2024-02-03","02:24:47",""
"7248093","12.729","0.009","15.65","0.003","19.849","0.005","91.255","0.005","91.14","0.03","103.68","0.03","3840","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C146.4 H175.2 N16 O25.2 S9.2 -","- C146.4 H175.2 N16 O25.2 S9.2 -","- C146.4 H175.2 N16 O25.2 S9.2 -","1","0.5","","Milone, Marco; Pisagatti, Ilenia; Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Brancatelli, Giovanna; Hickey, Neal; Geremia, Silvano","Influence of H-bond competitors on the solvent-dependent structures of an octaurea-calix[4]tube","RSC Advances","2024","14","7","4448","4455","10.1039/D3RA08764F","","","0.7","synchrotron","","0.1571","0.1229","","","0.3308","0.3694","","","","","","1.007","","","","has coordinates,has disorder","289300","2024-02-03","02:25:23",""
"7248094","40.093","0.014","22.414","0.005","18.799","0.003","90","","107.521","0.012","90","","16110","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C143.2 H169.6 N16 O25.6 S7.6 -","- C135.2 H145.6 N16 O21.6 S3.6 -","- C540.8 H582.4 N64 O86.4 S14.4 -","4","0.5","","Milone, Marco; Pisagatti, Ilenia; Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Brancatelli, Giovanna; Hickey, Neal; Geremia, Silvano","Influence of H-bond competitors on the solvent-dependent structures of an octaurea-calix[4]tube","RSC Advances","2024","14","7","4448","4455","10.1039/D3RA08764F","","","1","synchrotron","","0.1539","0.141","","","0.3647","0.381","","","","","","1.104","","","","has coordinates,has disorder","289300","2024-02-03","02:25:24",""
"7248095","9.2475","0.0173","9.9092","0.0187","11.8955","0.0222","70.528","0.022","67.961","0.021","73.477","0.023","937","3","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","3-(4-chlorophenyl)-2-((4-fluorophenyl)selanyl)benzo[4,5] imidazo[2,1-b]thiazole","","- C21 H12 Cl F N2 S Se -","- C21 H12 Cl F N2 S Se -","- C42 H24 Cl2 F2 N4 S2 Se2 -","2","1","","Ghosh, Prasanjit; Chhetri, Gautam; Mandal, Anirban; Chen, Yu; Hersh, William H.; Das, Sajal","C(sp2)–H selenylation of substituted benzo[4,5]imidazo[2,1-b]thiazoles using phenyliodine(iii)bis(trifluoroacetate) as a mediator","RSC Advances","2024","14","7","4462","4470","10.1039/D4RA00057A","","","0.71073","MoKα","","0.0637","0.0332","","","0.0713","0.0782","","","","","","0.925","","","","has coordinates","289301","2024-02-03","02:25:39",""
"7248098","7.9767","0.0007","9.0843","0.0008","9.3456","0.0008","86.352","0.006","69.069","0.005","74.829","0.005","610.14","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Cl8 N4 Sb2 -","- C12 H18 Cl8 N4 Sb2 -","- C12 H18 Cl8 N4 Sb2 -","1","0.5","","Chaabane, I.; Rekik, W.; Ghalla, H.; Zaghrioui, M.; Lhoste, J.; Oueslati, A.","Crystal structure, optical characterization, conduction and relaxation mechanisms of a new hybrid compound (C<sub>6</sub>H<sub>9</sub>N<sub>2</sub>)<sub>2</sub>[Sb<sub>2</sub>Cl<sub>8</sub>].","RSC advances","2024","14","5","3588","3598","10.1039/d3ra08885e","","","0.71073","MoKα","","0.0341","0.0256","","","0.0424","0.0451","","","","","","1.038","","","","has coordinates","289309","2024-02-04","10:00:41",""
"7248101","9.4933","0.0003","9.0418","0.0003","21.8135","0.0009","90","","101.356","0.004","90","","1835.74","0.12","170","0.1","170","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C80 H80 N16 O8 -","8","1","","Chen, Yichun; Lu, Ziqi; He, Wenfen; Zhu, Huanyi; Lu, Weilong; Shi, Junjun; Sheng, Jie; Xie, Wucheng","Rhodium-catalyzed annulation of hydrazines with vinylene carbonate to synthesize unsubstituted 1-aminoindole derivatives","RSC Advances","2024","14","7","4804","4809","10.1039/D3RA07466H","","x-ray","1.54184","CuKα","","0.0542","0.049","","","0.1323","0.1388","","","","","","1.035","","","","has coordinates","289733","2024-02-07","02:24:29",""
"7248110","9.3292","0.0016","14.298","0.002","14.191","0.003","90","","96.46","0.006","90","","1880.9","0.6","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 S -","- C23 H17 N3 S -","- C92 H68 N12 S4 -","4","1","","Vinayagam, Dhandapani; Subramanian, Karpagam","A phenothiazine-functionalized pyridine-based AIEE-active molecule: a versatile molecular probe for highly sensitive detection of hypochlorite and picric acid","RSC Advances","2024","14","8","5149","5158","10.1039/D3RA08451E","","x-ray","0.71073","MoKα","","0.1149","0.0547","","","0.1015","0.1283","","","","","","1.055","","","","has coordinates","289765","2024-02-09","02:31:59",""
"7248118","13.5911","0.0003","14.1632","0.0004","23.9764","0.0006","94.222","0.002","93.435","0.002","106.38","0.002","4400.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C108.85 H90.7 Cl0.7 O3.75 -","- C108.85 H90.7 Cl0.7 O3.75 -","- C217.7 H181.4 Cl1.4 O7.5 -","2","1","","Younes, Eyad A.; Hammad, Yamen J.; Salami, Fatemeh; Rasras, Anas J.; Al-Qawasmeh, Raed A.; Zhao, Yuming","Electron-donating arene-substituted pentacenedione derivatives: a study of structural, electronic, and electrochemical properties","RSC Advances","2024","14","8","5331","5339","10.1039/D3RA05173K","","x-ray","1.54184","CuKα","","0.1345","0.1026","","","0.3072","0.3434","","","","","","1.269","","","","has coordinates,has disorder","289779","2024-02-10","02:24:15",""
"7248119","7.3252","0.0001","22.6642","0.0002","23.2798","0.0002","90","","92.451","0.001","90","","3861.37","0.07","100","2","100","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C52 H38 O6 -","- C52 H38 O6 -","- C208 H152 O24 -","4","1","","Younes, Eyad A.; Hammad, Yamen J.; Salami, Fatemeh; Rasras, Anas J.; Al-Qawasmeh, Raed A.; Zhao, Yuming","Electron-donating arene-substituted pentacenedione derivatives: a study of structural, electronic, and electrochemical properties","RSC Advances","2024","14","8","5331","5339","10.1039/D3RA05173K","","x-ray","1.54184","CuKα","","0.0449","0.0434","","","0.1115","0.1127","","","","","","1.056","","","","has coordinates","289779","2024-02-10","02:24:16",""
"7248120","15.9867","0.0009","5.3642","0.0003","21.1924","0.0011","90","","103.788","0.002","90","","1765","0.17","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 N2 O2 -","- C17 H27 N2 O2 -","- C68 H108 N8 O8 -","4","1","","Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita","Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes","RSC Advances","2024","14","8","5222","5233","10.1039/D3RA08649F","","","0.71073","MoKα","","0.172","0.0843","","","0.2074","0.2756","","","","","","1.081","","","","has coordinates,has disorder","289780","2024-02-10","02:24:56",""
"7248121","4.763","0.007","10.544","0.016","15.14","0.02","90","","96.49","0.04","90","","755.5","1.9","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N2 O -","- C17 H20 N2 O -","- C34 H40 N4 O2 -","2","1","","Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita","Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes","RSC Advances","2024","14","8","5222","5233","10.1039/D3RA08649F","","","0.71073","MoKα","","0.3128","0.0847","","","0.1055","0.1474","","","","","","0.87","","","","has coordinates","289780","2024-02-10","02:24:57",""
"7248122","14.1335","0.0011","10.5456","0.0007","22.1248","0.0017","90","","90","","90","","3297.6","0.4","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H26 N2 O -","- C16 H26 N2 O -","- C128 H208 N16 O8 -","8","1","","Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita","Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes","RSC Advances","2024","14","8","5222","5233","10.1039/D3RA08649F","","","0.71073","MoKα","","0.1708","0.0673","","","0.1301","0.1565","","","","","","0.856","","","","has coordinates","289780","2024-02-10","02:24:58",""
"7248123","7.1033","0.0004","23.7608","0.0014","18.3655","0.0011","90","","93.527","0.004","90","","3093.9","0.3","298.15","","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C120 H176 N16 O24 -","8","2","","Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita","Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes","RSC Advances","2024","14","8","5222","5233","10.1039/D3RA08649F","","","1.54178","CuKα","","0.1045","0.0643","","","0.1769","0.2058","","","","","","1.03","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7248127","7.788","0.0005","8.7699","0.0005","9.7291","0.0006","111.057","0.002","96.558","0.002","104.436","0.002","585.08","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof","Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography","RSC Advances","2024","14","8","5340","5350","10.1039/D3RA08081A","","","0.71073","MoKα","","0.0186","0.0139","","","0.0387","0.0426","","","","","","1.178","","","","has coordinates","289799","2024-02-13","02:27:56",""
"7248128","7.788","0.0005","8.7699","0.0005","9.7291","0.0006","111.057","0.002","96.558","0.002","104.436","0.002","585.08","0.06","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof","Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography","RSC Advances","2024","14","8","5340","5350","10.1039/D3RA08081A","","","0.71073","MoKα","","0.0268","0.0213","","","0.0706","0.074","","","","","","1.029","","","","has coordinates","289799","2024-02-13","02:27:57",""
"7248129","24.31","0.003","24.31","0.003","14.016","0.002","90","","90","","90","","8283.1","1.9","100","0.1","100","0.1","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C13 H11 N2 O0.5 -","- C13 H11 N2 O0.5 -","- C416 H352 N64 O16 -","32","1","","Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof","Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography","RSC Advances","2024","14","8","5340","5350","10.1039/D3RA08081A","","","0.71073","MoKα","","0.0427","0.0305","","","0.0901","0.0941","","","","","","0.911","","","","has coordinates","289799","2024-02-13","02:27:57",""
"7248130","24.31","0.002","24.31","0.002","14.016","0.002","90","","90","","90","","8283.1","1.5","100","0.1","100","0.1","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C26 H22 N4 O -","- C26 H22 N4 O -","- C416 H352 N64 O16 -","16","0.5","","Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof","Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography","RSC Advances","2024","14","8","5340","5350","10.1039/D3RA08081A","","x-ray","1.54184","CuKα","","0.0548","0.0418","","","0.1226","0.128","","","","","","1.041","","","","has coordinates","289799","2024-02-13","02:27:57",""
"7248179","8.0992","0.0004","20.6903","0.0011","9.9276","0.0006","90","","111.728","0.002","90","","1545.42","0.15","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Zuo, Youpeng; Liu, Meijun; Du, Jun; Zhang, Tianren; Wang, Xiaoqing; Wang, Cong","Ir(iii)/Ag(i)-catalyzed directly C–H amidation of arenes with OH-free hydroxyamides as amidating agents","RSC Advances","2024","14","9","5975","5980","10.1039/D4RA00517A","","","0.71073","MoKα","","0.0565","0.0505","","","0.1169","0.1225","","","","","","1.078","","","","has coordinates","289842","2024-02-16","02:33:34",""
"7248180","7.6763","0.001","7.938","0.001","8.2274","0.0011","73.068","0.004","67.252","0.004","68.824","0.004","424.37","0.1","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 O6 Rb -","- C6 H7 O6 Rb -","- C12 H14 O12 Rb2 -","2","1","","Kavitha, S.; Vizhi, R. Ezhil","Investigation on the growth aspects and properties of rubidium hydrogen succinate hydrate single crystal for NLO applications","RSC Advances","2024","14","9","6016","6027","10.1039/D3RA07579F","","","0.71073","MoKα","","0.0341","0.0292","","","0.0697","0.0725","","","","","","1.023","","","","has coordinates","289858","2024-02-17","02:30:08",""
"7248182","5.41865","0.00009","5.41865","0.00009","26.3535","0.0005","90","","90","","120","","670.12","0.02","292.09","0.1","292.09","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba4 Bi O13 Tb -","- B4 Ba4 Bi O13 Tb -","- B8 Ba8 Bi2 O26 Tb2 -","2","0.0833333","","Chen, Xuean; Yuan, Xuyang; Xiao, Weiqiang; Song, Xiaoyan","Two new rare-earth oxyborates Ba4BiTbO(BO3)4 and Ba1.54Sr2.46BiTbO(BO3)4 and luminescence properties of the Ba4BiTb1−xEuxO(BO3)4 phosphors","RSC Advances","2024","14","9","6270","6284","10.1039/D3RA08265B","","x-ray","0.71073","MoKα","","0.0464","0.0417","","","0.0964","0.0988","","","","","","1.173","","","","has coordinates","289875","2024-02-20","02:25:17",""
"7248183","5.36534","0.00019","5.36534","0.00019","26.0661","0.001","90","","90","","120","","649.83","0.04","292.09","0.1","292.09","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- B4 Ba1.54 Bi O13 Sr2.46 Tb -","- B4 Ba1.54 Bi O13 Sr2.46 Tb -","- B8 Ba3.08 Bi2 O26 Sr4.92 Tb2 -","2","0.0833333","","Chen, Xuean; Yuan, Xuyang; Xiao, Weiqiang; Song, Xiaoyan","Two new rare-earth oxyborates Ba4BiTbO(BO3)4 and Ba1.54Sr2.46BiTbO(BO3)4 and luminescence properties of the Ba4BiTb1−xEuxO(BO3)4 phosphors","RSC Advances","2024","14","9","6270","6284","10.1039/D3RA08265B","","x-ray","0.71073","MoKα","","0.0645","0.0604","","","0.1077","0.1094","","","","","","1.121","","","","has coordinates","289875","2024-02-20","02:25:18",""
"7248184","7.4729","0.001","16.121","0.002","19.743","0.003","67.095","0.01","88.242","0.011","84.135","0.011","2179.3","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","3,6-Bis(5-(4,4,5,5-tetramethyl-4,5-dihydro-3oxid-1-oxyl-1-H-imidazol-2-yl)-thiophene-2yl)-2,5-dihexyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C41 H56 Cl2 N6 O6 S2 -","- C41 H56 Cl2 N6 O6 S2 -","- C82 H112 Cl4 N12 O12 S4 -","2","1","","Tretyakov, Evgeny; Gorbunov, Dmitry; Gritsan, Nina; Keerthi, Ashok; Baumgarten, Martin; Schollmeyer, Dieter; Ivanov, Mikhail; Sergeeva, Anna; Fedin, Matvey","Synthesis and photoinduced behavior of DPP-anchored nitronyl nitroxides: a multifaceted approach","RSC Advances","2024","14","9","6178","6189","10.1039/D4RA00916A","","","1.54178","CuKα","","0.343","0.1407","","","0.3299","0.4395","","","","","","0.883","","","","has coordinates,has disorder","289876","2024-02-20","02:25:34",""
"7248185","22.042","0.005","3.9504","0.0009","15.024","0.003","90","","104.448","0.003","90","","1266.8","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","0.5","","Lee, Sae Hui; Valverde Paredes, Marco S.; Forster, Paul M.; Lee, Dong-Chan","Side group dependent room temperature crystallization-induced phosphorescence of benzil based all organic phosphors","RSC Advances","2024","14","9","6285","6291","10.1039/D4RA00816B","","","0.71073","MoKα","","0.0476","0.0434","","","0.1209","0.1262","","","","","","1.06","","","","has coordinates","289877","2024-02-20","02:25:52",""
"7248186","22.098","0.008","4.7567","0.0017","26.394","0.01","90","","109.636","0.005","90","","2613","1.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H42 O4 -","- C30 H42 O4 -","- C120 H168 O16 -","4","0.5","","Lee, Sae Hui; Valverde Paredes, Marco S.; Forster, Paul M.; Lee, Dong-Chan","Side group dependent room temperature crystallization-induced phosphorescence of benzil based all organic phosphors","RSC Advances","2024","14","9","6285","6291","10.1039/D4RA00816B","","","0.71073","MoKα","","0.0631","0.0472","","","0.123","0.1332","","","","","","1.116","","","","has coordinates","289877","2024-02-20","02:25:52",""
"7248208","7.8389","0.0008","13.8151","0.0016","17.198","0.002","90","","94.032","0.004","90","","1857.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-((Z)-((4-((E)-N-(thiazol-2(3H)-ylidene)sulfamoyl)phenyl)iminio)methylnaphthalen-2-olate","","- C20 H15 N3 O3 S2 -","- C20 H15 N3 O3 S2 -","- C80 H60 N12 O12 S8 -","4","1","","Malik, Abida Naseem; Ali, Akbar; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Alam, Mohammad Mahtab; Mostafa, Mohamed S.; Kuznetsov, Aleksey","A synthetic approach towards drug modification: 2-hydroxy-1-naphthaldehyde based imine-zwitterion preparation, single-crystal study, Hirshfeld surface analysis, and computational investigation","RSC Advances","2024","14","10","6476","6493","10.1039/D3RA08727A","","","0.71073","MoKα","","0.0852","0.0437","","","0.0916","0.1087","","","","","","1.018","","","","has coordinates","289926","2024-02-22","02:35:08",""
"7248209","4.5436","0.0006","12.5255","0.0016","17.673","0.002","88.308","0.008","89.195","0.008","82.611","0.009","996.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-1-(((4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl)iminio)methyl) naphthalen-2-olate","","- C23 H19 Cl N4 O -","- C23 H19 Cl N4 O -","- C46 H38 Cl2 N8 O2 -","2","1","","Malik, Abida Naseem; Ali, Akbar; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Alam, Mohammad Mahtab; Mostafa, Mohamed S.; Kuznetsov, Aleksey","A synthetic approach towards drug modification: 2-hydroxy-1-naphthaldehyde based imine-zwitterion preparation, single-crystal study, Hirshfeld surface analysis, and computational investigation","RSC Advances","2024","14","10","6476","6493","10.1039/D3RA08727A","","","0.71073","MoKα","","0.1311","0.0763","","","0.2131","0.2358","","","","","","1.139","","","","has coordinates","289926","2024-02-22","02:35:09",""
"7248210","9.3848","0.0003","13.2196","0.0005","19.2723","0.0006","79.837","0.003","79.503","0.002","84.025","0.002","2307.68","0.14","119.99","0.1","119.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H34 N4 O4 S2 -","- C60 H34 N4 O4 S2 -","- C120 H68 N8 O8 S4 -","2","1","","Chen, Meiling; Chen, Yuzhuo; Li, Yan; Lin, Yuhong; Wu, Yunan","Efficient orange and red thermally activated delayed fluorescence materials based on 1,8-naphthalimide derivatives","RSC Advances","2024","14","10","6494","6500","10.1039/D3RA08969J","","x-ray","1.54184","CuKα","","0.0425","0.0385","","","0.1011","0.1048","","","","","","1.038","","","","has coordinates","289927","2024-02-22","02:35:27",""
"7248211","10.9035","0.0004","16.1895","0.0006","24.4187","0.0017","102.495","0.005","95.298","0.004","105.416","0.003","4005.2","0.4","291.7","0.6","291.7","0.6","","","","","","","","4","P 1","P 1","1","","","","- C36 H24 N2 O2 -","- C36 H24 N2 O2 -","- C216 H144 N12 O12 -","6","6","","Chen, Meiling; Chen, Yuzhuo; Li, Yan; Lin, Yuhong; Wu, Yunan","Efficient orange and red thermally activated delayed fluorescence materials based on 1,8-naphthalimide derivatives","RSC Advances","2024","14","10","6494","6500","10.1039/D3RA08969J","","x-ray","1.54184","CuKα","","0.1625","0.1377","","","0.3838","0.4112","","","","","","1.384","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7248213","14.61601","0.00013","4.09391","0.00004","18.54407","0.00016","90","","100.646","0.0008","90","","1090.52","0.017","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","methyl (R)-2-(5-bromopyridin-2-yl)-4,5-dihydrothiazole-4-carboxylate","","- C10 H9 Br N2 O2 S -","- C10 H9 Br N2 O2 S -","- C40 H36 Br4 N8 O8 S4 -","4","1","","Yano, Tetsuya; Yamada, Takahiro; Isida, Hiroaki; Ohashi, Nami; Itoh, Toshimasa","2-cyanopyridine derivatives enable N-terminal cysteine bioconjugation and peptide bond cleavage of glutathione under aqueous and mild conditions","RSC Advances","2024","14","10","6542","6547","10.1039/D4RA00437J","","x-ray","1.54184","CuKα","","0.0218","0.0218","","","0.0563","0.0563","","","","","","1.132","","","","has coordinates","289935","2024-02-23","02:25:05",""
"7248232","8.7992","0.0002","16.6146","0.0004","16.7086","0.0004","119.195","0.002","91.698","0.002","102.782","0.002","2052.24","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H44 B F4 Ir N4 O5 -","- C44 H44 B F4 Ir N4 O5 -","- C88 H88 B2 F8 Ir2 N8 O10 -","2","1","","Stokes, Emily C.; Shoetan, Ibrahim O.; Gillman, Alice M.; Horton, Peter N.; Coles, Simon J.; Woodbury, Simon E.; Fallis, Ian A.; Pope, Simon J. A.","Alkyl chain functionalised Ir(iii) complexes: synthesis, properties and behaviour as emissive dopants in microemulsions","RSC Advances","2024","14","10","6987","6997","10.1039/D3RA06764E","","x-ray","0.71075","MoKα","K-L~3~","0.0312","0.0264","","","0.0658","0.0674","","","","","","1.073","","","","has coordinates,has disorder","289978","2024-02-28","02:36:20",""
"7248233","9.7337","0.0002","16.324","0.0003","18.6845","0.0004","100.368","0.002","91.4","0.002","104.629","0.002","2818.06","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H68 B F4 Ir N5 O5.5 -","- C62 H68 B F4 Ir N5 O5.5 -","- C124 H136 B2 F8 Ir2 N10 O11 -","2","1","","Stokes, Emily C.; Shoetan, Ibrahim O.; Gillman, Alice M.; Horton, Peter N.; Coles, Simon J.; Woodbury, Simon E.; Fallis, Ian A.; Pope, Simon J. A.","Alkyl chain functionalised Ir(iii) complexes: synthesis, properties and behaviour as emissive dopants in microemulsions","RSC Advances","2024","14","10","6987","6997","10.1039/D3RA06764E","","x-ray","0.71075","MoKα","K-L~3~","0.0372","0.031","","","0.0758","0.0781","","","","","","1.045","","","","has coordinates,has disorder","289978","2024-02-28","02:36:21",""
"7248234","3.8023","0.0002","17.9097","0.0009","15.9061","0.0008","90","","93.96","0.004","90","","1080.59","0.1","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 N -","- C17 H9 N -","- C68 H36 N4 -","4","1","","Seki, Tomohiro; Hattori, Kota","Mechanochromic aromatic hydrocarbons that bear one simple substituent","RSC Advances","2024","14","11","7258","7262","10.1039/D3RA08519H","","x-ray","1.54184","CuKα","","0.0986","0.087","","","0.2486","0.2583","","","","","","1.12","","","","has coordinates","290016","2024-03-01","02:22:49",""
"7248280","17.97496","0.0001","8.53541","0.00004","20.53738","0.0001","90","","92.6815","0.0005","90","","3147.47","0.03","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H53 N P2 S2 -","- C29 H53 N P2 S2 -","- C116 H212 N4 P8 S8 -","4","1","","Hood, Thomas M.; Lau, Samantha; Chaplin, Adrian B.","Capture of mechanically interlocked molecules by rhodium-mediated terminal alkyne dimerisation","RSC Advances","2024","14","11","7740","7744","10.1039/D4RA00566J","","x-ray","1.54184","CuKα","","0.0266","0.0251","","","0.0636","0.0648","","","","","","1.037","","","","has coordinates","290353","2024-03-06","02:15:31",""
"7248285","16.598","0.0005","18.4583","0.0006","20.9945","0.0007","74.614","0.003","75.671","0.003","74.331","0.003","5863","0.3","213","0.1","213","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H167 N4 O36 S Ti10 -","- C80 H167 N4 O36 S Ti10 -","- C160 H334 N8 O72 S2 Ti20 -","2","1","","Nai, Haoran; Hou, Jinle; Li, Jinyu; Ma, Xiaoxi; Yang, Yujia; Qu, Konggang; Huang, Xianqiang; Li, Lianzhi","Accurate assembly of thiophene-bridged titanium-oxo clusters with photocatalytic amine oxidation activity","RSC Advances","2024","14","11","7924","7931","10.1039/D4RA00117F","","x-ray","1.54184","CuKα","","0.0796","0.0631","","","0.1663","0.1774","","","","","","1.04","","","","has coordinates,has disorder","290370","2024-03-07","02:17:26",""
"7248286","9.6378","0.0001","13.1727","0.0001","10.2479","0.0001","90","","117.064","0.002","90","","1158.57","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H3 F7 N2 O2 -","- C12 H3 F7 N2 O2 -","- C48 H12 F28 N8 O8 -","4","1","","Giri, Indrajit; Biswas, Sagar; Chhetri, Shant; Choudhuri, Anwesha; Mondal, Indrajit; Senanayak, Satyaprasad P.; Iyer, Parameswar Krishnan; Chaudhuri, Debangshu; Vijayaraghavan, Ratheesh K.","Ambient stable solution-processed organic field effect transistors from electron deficient planar aromatics: effect of end-groups on ambient stability","RSC Advances","2024","14","11","7915","7923","10.1039/D4RA01499E","","","1.54184","CuKα","","0.0367","0.0339","","","0.0924","0.0957","","","","","","1.052","","","","has coordinates","290371","2024-03-07","02:17:44",""
"7248287","5.3597","0.0006","8.29","0.0008","15.7629","0.0008","99.995","0.006","93.825","0.007","95.201","0.008","684.48","0.11","100.01","0.13","100.01","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C32.01 H34 N4 O4 -","- C32 H34 N4 O4 -","- C32 H34 N4 O4 -","1","0.5","","Giri, Indrajit; Biswas, Sagar; Chhetri, Shant; Choudhuri, Anwesha; Mondal, Indrajit; Senanayak, Satyaprasad P.; Iyer, Parameswar Krishnan; Chaudhuri, Debangshu; Vijayaraghavan, Ratheesh K.","Ambient stable solution-processed organic field effect transistors from electron deficient planar aromatics: effect of end-groups on ambient stability","RSC Advances","2024","14","11","7915","7923","10.1039/D4RA01499E","","x-ray","1.54184","CuKα","","0.1054","0.0986","","","0.306","0.322","","","","","","1.456","","","","has coordinates,has disorder","290371","2024-03-07","02:17:46",""
"7248290","12.8165","0.0002","31.2237","0.0006","16.4633","0.0003","90","","102.225","0.001","90","","6438.9","0.2","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","CN-PAI-InCz","","- C86 H66 N8 O -","- C86 H66 N8 O -","- C344 H264 N32 O4 -","4","1","","Godi, Mahendra; Kwon, Hyukmin; Park, Sangwook; Park, Sunwoo; Lee, Hayoon; Lee, Kiho; Park, Jongwook","Enhancing OLED emitter efficiency through increased rigidity","RSC Advances","2024","14","12","8135","8144","10.1039/D3RA07937F","","","0.71073","MoKα","","0.0716","0.0468","","","0.1028","0.1147","","","","","","1.02","","","","has coordinates","290420","2024-03-09","02:22:12",""
"7248295","21.402","0.0014","12.5878","0.0008","18.9598","0.0013","90","","123.154","0.003","90","","4276.3","0.5","101","2","101","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H21 Cl N4 O Ru S -","- C22 H21 Cl N4 O Ru S -","- C176 H168 Cl8 N32 O8 Ru8 S8 -","8","2","","Tsaulwayo, Nokwanda; Omondi, Reinner O.; Vijayan, Paranthaman; Sibuyi, Nicole R. S.; Meyer, Miché D.; Meyer, Mervin; Ojwach, Stephen O.","Heterocyclic (pyrazine)carboxamide Ru(ii) complexes: structural, experimental and theoretical studies of interactions with biomolecules and cytotoxicity","RSC Advances","2024","14","12","8322","8330","10.1039/D4RA00525B","","","0.71073","MoKα","","0.05","0.0476","","","0.1248","0.1265","","","","","","1.069","","","","has coordinates","290440","2024-03-12","02:20:46",""
"7248296","17.9377","0.0011","21.9449","0.0014","25.6202","0.0016","90","","106.696","0.002","90","","9660","1.1","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H72 Cd N24 O20 -","- C96 H72 Cd N24 O20 -","- C384 H288 Cd4 N96 O80 -","4","0.5","","Shi, Lulu; Wang, Lin; Li, Mingchun; Liu, Mei","A cucurbit[8]uril based supramolecular assembly and its potential applications for the removal of dye and antibiotic from an aqueous medium","RSC Advances","2024","14","12","8161","8166","10.1039/D4RA00347K","","","0.71073","MoKα","","0.0388","0.0354","","","0.0855","0.0915","","","","","","1.112","","","","has coordinates","290441","2024-03-12","02:21:47",""
"7248297","8.867","0.0001","7.143","0.0001","22.2918","0.0003","90","","90.537","0.001","90","","1411.83","0.03","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N5 -","- C15 H19 N5 -","- C60 H76 N20 -","4","1","","Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Tiekink, Edward R. T.; Dolzhenko, Anton V.","6-Aryl-4-cycloamino-1,3,5-triazine-2-amines: synthesis, antileukemic activity, and 3D-QSAR modelling","RSC Advances","2024","14","12","8264","8282","10.1039/D3RA08091A","","","1.54184","CuKα","","0.0397","0.0381","","","0.1033","0.1051","","","","","","1.055","","","","has coordinates","290442","2024-03-12","02:22:02",""
"7248316","20.8238","0.0019","15.3516","0.0014","13.7001","0.0014","90","","90","","90","","4379.6","0.7","150","2","150","2","","","","","","","synthesis as described","6","C m c e","-C 2ac 2","64","","","","- C16 H20 Br4 Hg N2 O2 -","- C16 H20 Br4 Hg N2 O2 -","- C128 H160 Br32 Hg8 N16 O16 -","8","0.5","","Chkoundali, Souad; Garoui, Iheb; Trigui, Wala; Oueslati, Abderrazek","Crystal structure, Hirshfeld surface analysis, conduction mechanism and electrical modulus study of the new organic-inorganic compound [C<sub>8</sub>H<sub>10</sub>NO]<sub>2</sub>HgBr<sub>4</sub>.","RSC advances","2024","14","13","8971","8980","10.1039/d4ra00689e","","x-ray","0.71073","MoKα","","0.0168","0.015","","","0.0345","0.0352","","","","","","1.113","","","","has coordinates","290535","2024-03-19","03:00:53",""
"7248332","14.6984","0.0008","17.427","0.0008","19.6342","0.001","90","","90","","90","","5029.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C24 H28 Cl N3 O6 S -","- C24 H28 Cl N3 O6 S -","- C192 H224 Cl8 N24 O48 S8 -","8","2","","Parmar, Mehul P.; Vala, Disha P.; Bhalodiya, Savan S.; Upadhyay, Dipti B.; Patel, Chirag D.; Patel, Subham G.; Gandholi, Srinivasa R.; Shaik, Althaf H.; Miller, Amy Dunne; Nogales, Joaquina; Banerjee, Sourav; Padrón, José M; Amri, Nasser; Kandukuri, Nagesh Kumar; Patel, Hitendra M.","A green bio-organic catalyst (taurine) promoted one-pot synthesis of (<i>R</i>/<i>S</i>)-2-thioxo-3,4-dihydropyrimidine(TDHPM)-5-carboxanilides: chiral investigations using circular dichroism and validation by computational approaches.","RSC advances","2024","14","13","9300","9313","10.1039/d4ra01391c","","","0.71073","MoKα","","0.1428","0.0619","","","0.1158","0.1453","","","","","","1.078","","","","has coordinates","290573","2024-03-21","02:14:56",""
"7248333","11.9361","0.0003","7.3938","0.0002","14.4601","0.0004","90","","93.592","0.001","90","","1273.64","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2,5-dihydroxyphenyl)-4-ethylpyridin-1-ium chloride water solvate","","- C13 H16 Cl N O3 -","- C13 H16 Cl N O3 -","- C52 H64 Cl4 N4 O12 -","4","1","","Zgheib, Ali; Acker, Sophie; Fischer, Maximilian Hans; Namyslo, Jan C.; Strube, Franziska; Rudolph, Martin; Fittschen, Ursula E. A.; Wollmann, Annett; Weber, Alfred P.; Nieger, Martin; Schmidt, Andreas","Lithium aluminate flotation by pH- and light-switchable collectors based on the natural product punicine","RSC Advances","2024","14","13","9353","9364","10.1039/D4RA00116H","","","0.71073","MoKα","","0.0315","0.0297","","","0.0811","0.0826","","","","","","1.052","","","","has coordinates","290574","2024-03-21","02:15:15",""
"7248339","7.5716","0.0002","10.5701","0.0003","13.3435","0.0004","81.216","0.002","83.633","0.002","76.137","0.002","1021.57","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 F3 N2 O3 S -","- C23 H17 F3 N2 O3 S -","- C46 H34 F6 N4 O6 S2 -","2","1","","Kawakubo, Masato; Inoh, Yoshikazu; Murata, Yuki; Matsumura, Mio; Furuno, Tadahide; Yasuike, Shuji","Novel mono substituted pyridoimidazoisoquinoliniums via a silver-catalyzed intramolecular cyclization and their applications in cellular imaging","RSC Advances","2024","14","14","9758","9762","10.1039/D4RA01210K","","x-ray","1.54184","CuKα","","0.0382","0.0367","","","0.0971","0.0986","","","","","","1.07","","","","has coordinates","290625","2024-03-24","02:10:59",""
"7248353","23.125","0.002","10.9006","0.001","13.78","0.0014","90","","123.111","0.003","90","","2909.5","0.5","100","","100","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","PdL13","","- C20 H36 F12 N8 P2 Pd -","- C20 H36 F12 N8 P2 Pd -","- C80 H144 F48 N32 P8 Pd4 -","4","0.5","","Büchele, Wolfgang R. E.; Schlachta, Tim P.; Gebendorfer, Andreas L.; Pamperin, Jenny; Richter, Leon F.; Sauer, Michael J.; Prokop, Aram; Kühn, Fritz E.","Synthesis, characterization, and biomedical evaluation of ethylene-bridged tetra-NHC Pd(ii), Pt(ii) and Au(iii) complexes, with apoptosis-inducing properties in cisplatin-resistant neuroblastoma cells","RSC Advances","2024","14","15","10244","10254","10.1039/D4RA01195C","","x-ray","0.71073","MoKα","","0.0334","0.0269","","","0.0544","0.0579","","","","","","1.072","","","","has coordinates,has disorder","290694","2024-03-28","02:27:01",""
"7248354","13.4513","0.0006","13.4513","0.0006","16.2016","0.0013","90","","90","","90","","2931.5","0.3","100","","100","","","","","","","","see text","6","P 4/n c c :2","-P 4a 2ac","130","","PdL15","","- C20 H24 F12 N8 P2 Pd -","- C20 H24 F12 N8 P2 Pd -","- C80 H96 F48 N32 P8 Pd4 -","4","0.25","","Büchele, Wolfgang R. E.; Schlachta, Tim P.; Gebendorfer, Andreas L.; Pamperin, Jenny; Richter, Leon F.; Sauer, Michael J.; Prokop, Aram; Kühn, Fritz E.","Synthesis, characterization, and biomedical evaluation of ethylene-bridged tetra-NHC Pd(ii), Pt(ii) and Au(iii) complexes, with apoptosis-inducing properties in cisplatin-resistant neuroblastoma cells","RSC Advances","2024","14","15","10244","10254","10.1039/D4RA01195C","","x-ray","0.71073","MoKα","","0.0342","0.0238","","","0.0524","0.0565","","","","","","1.074","","","","has coordinates","290694","2024-03-28","02:27:11",""
"7248355","23.0841","0.0018","10.8943","0.0008","13.7057","0.0011","90","","122.799","0.002","90","","2897.3","0.4","100","","100","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","PtL13","","- C20 H36 F12 N8 P2 Pt -","- C20 H36 F12 N8 P2 Pt -","- C80 H144 F48 N32 P8 Pt4 -","4","0.5","","Büchele, Wolfgang R. E.; Schlachta, Tim P.; Gebendorfer, Andreas L.; Pamperin, Jenny; Richter, Leon F.; Sauer, Michael J.; Prokop, Aram; Kühn, Fritz E.","Synthesis, characterization, and biomedical evaluation of ethylene-bridged tetra-NHC Pd(ii), Pt(ii) and Au(iii) complexes, with apoptosis-inducing properties in cisplatin-resistant neuroblastoma cells","RSC Advances","2024","14","15","10244","10254","10.1039/D4RA01195C","","x-ray","0.71073","MoKα","","0.0161","0.0138","","","0.0293","0.0304","","","","","","1.167","","","","has coordinates,has disorder","290694","2024-03-28","02:27:12",""
"7248356","31.7839","0.0012","5.0577","0.0002","26.4285","0.0011","90","","90","","90","","4248.5","0.3","299","","299","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H16 N2 O4 -","- C26 H20 N2 O5 -","- C208 H160 N16 O40 -","8","2","","Polo-Cuadrado, Efraín; Osorio, Edison; Acosta-Quiroga, Karen; Camargo-Ayala, Paola Andrea; Brito, Iván; Rodriguez, Jany; Alderete, Joel B.; Forero-Doria, Oscar; Blanco-Acuña, Edgard Fabián; Gutiérrez, Margarita","Nonlinear optical and spectroscopic properties, thermal analysis, and hemolytic capacity evaluation of quinoline-1,3-benzodioxole chalcone","RSC Advances","2024","14","15","10199","10208","10.1039/D4RA00820K","","","0.71073","MoKα","","0.0779","0.0558","","","0.1414","0.1607","","","","","","1.121","","","","has coordinates","290695","2024-03-28","02:27:34",""
"7248364","6.5671","0.001","7.2171","0.0011","14.364","0.002","85.588","0.004","81.019","0.004","83.178","0.004","666.5","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 F3 O2 S -","- C16 H9 F3 O2 S -","- C32 H18 F6 O4 S2 -","2","1","","Mukhtar, Asma; Hussain, Arif; Younas, Faiza; Yousuf, Sammer; Saeed, Muhammad","Facile synthesis of substituted 2-aroylbenzo[b]thiophen-3-ols to form novel triazole hybrids using click chemistry","RSC Advances","2024","14","15","10270","10279","10.1039/D4RA01146E","","","1.54178","CuKα","","0.0418","0.041","","","0.1305","0.1316","","","","","","1.275","","","","has coordinates","290709","2024-03-29","02:22:04",""
"7248372","17.7833","0.0012","17.8696","0.0012","18.2588","0.0012","110.766","0.002","112.206","0.002","90.922","0.002","4946.9","0.6","170","","170","","","","","","","","","8","P -1","-P 1","2","","","","- C96 H64 Ag4 Br3.69 Cl8.62 P2 Pt S8 -","- C96 H64 Ag4 Br3.69 Cl8.62 P2 Pt S8 -","- C192 H128 Ag8 Br7.38 Cl17.24 P4 Pt2 S16 -","2","1","","Jiang, Kefan; Ma, Along; Li, Yuansheng; Wang, Jiawei; Yin, Zhengmao; Wang, Shuxin","Understanding the decomposition process of the Pt1Ag24(SPhCl2)18 nanocluster at the atomic level","RSC Advances","2024","14","15","10574","10579","10.1039/D4RA01274G","","","0.71073","MoKα","","0.1436","0.0994","","","0.2393","0.2635","","","","","","1.058","","","","has coordinates,has disorder","290745","2024-04-03","01:32:17",""
"7248373","32.937","","28.819","","28.779","","90","","93.52","","90","","27265.8","","120.15","","120.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C216 H134 Ag24 Br17.72 Cl4.56 P4 Pt S20 -","- C216 H134 Ag24 Br17.72 Cl4.56 P4 Pt S20 -","- C864 H536 Ag96 Br70.88 Cl18.24 P16 Pt4 S80 -","4","0.5","","Jiang, Kefan; Ma, Along; Li, Yuansheng; Wang, Jiawei; Yin, Zhengmao; Wang, Shuxin","Understanding the decomposition process of the Pt1Ag24(SPhCl2)18 nanocluster at the atomic level","RSC Advances","2024","14","15","10574","10579","10.1039/D4RA01274G","","","1.54186","CuKα","","0.0851","0.0561","","","0.1403","0.1526","","","","","","0.946","","","","has coordinates,has disorder","290745","2024-04-03","01:32:17",""
"7248374","26.638","","29.956","","31.053","","93.09","","90.67","","90.79","","24739","","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C184 H120.67 Ag24 Br12.49 Cl15.03 P2.67 Pt S20 -","- C184 H120.667 Ag24 Br12.4867 Cl15.0267 P2.66667 Pt S20 -","- C552 H362 Ag72 Br37.46 Cl45.08 P8 Pt3 S60 -","3","1.5","","Jiang, Kefan; Ma, Along; Li, Yuansheng; Wang, Jiawei; Yin, Zhengmao; Wang, Shuxin","Understanding the decomposition process of the Pt1Ag24(SPhCl2)18 nanocluster at the atomic level","RSC Advances","2024","14","15","10574","10579","10.1039/D4RA01274G","","x-ray","1.54186","CuKα","","0.0909","0.0607","","","0.165","0.185","","","","","","1.041","","","","has coordinates,has disorder","290745","2024-04-03","01:32:17",""
"7248375","10.0589","0.0002","14.2921","0.0003","15.1181","0.0003","90","","90","","90","","2173.42","0.08","99.8","0.7","99.8","0.7","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Compound 19","","- C25 H34 O5 -","- C25 H34 O5 -","- C100 H136 O20 -","4","1","","Ma, Chi Thanh; Huang, Tianqi; Yu, Jae Sik; Ly, Tu Loan; Vu Huynh, Kim Long; Kwon, Sung Won; Park, Jeong Hill; Yang, Hyun Ok","Sesquiterpenoids and hexanorcucurbitacin from Aquilaria malaccensis agarwood with anti-inflammatory effects by inhibiting the STAT1/AKT/MAPK/NLRP3 pathway","RSC Advances","2024","14","13","9391","9405","10.1039/D3RA08686K","","x-ray","1.54184","CuKα","","0.0382","0.0369","","","0.0976","0.0987","","","","","","1.067","","","","has coordinates","290746","2024-04-03","01:32:38",""
"7248376","6.7814","0.0004","10.688","0.0007","29.8384","0.0018","90","","94.276","0.003","90","","2156.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Shalaby, Mona A.; BinSabt, Mohammad H.; Rizk, Sameh A.; Fahim, Asmaa M.","Novel pyrazole and imidazolone compounds: synthesis, X-ray crystal structure with theoretical investigation of new pyrazole and imidazolone compounds anticipated insecticide’s activities against targeting Plodia interpunctella and nilaparvata lugens","RSC Advances","2024","14","15","10464","10480","10.1039/D4RA00602J","","","1.54178","CuKα","","0.0469","0.0398","","","0.1176","0.1251","","","","","","1.059","","","","has coordinates","290747","2024-04-03","01:32:51",""
"7248391","10.105","0.004","7.746","0.003","15.032","0.008","90","","91.13","0.03","90","","1176.4","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMSS-AM","","","- C22 H36 N4 O6 -","- C22 H34 N4 O6 -","- C44 H68 N8 O12 -","2","0.5","","Jin, Yuxin; Jiang, Bingli; Song, Huajian; Mei, Chanming; Liu, Zuoan; Zhang, Xiakai; Liu, Jinyuan; Gong, Yongyang","Monophenyl luminescent material with dual-state emission and pH sensitivity for cell imaging.","RSC advances","2024","14","16","10942","10952","10.1039/d4ra01422g","","","1.54178","CuKα","","0.1028","0.0701","","","0.1893","0.2109","","","","","","1.106","","","","has coordinates","291133","2024-04-06","01:30:32",""
"7248392","9.8989","0.0003","11.368","0.0003","15.8912","0.0005","90","","90","","90","","1788.25","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Zhang, Xiao-Fang; Du, Jiao-Xian; Teng, Si-Qiong; Liu, Hui; He, Juan; Feng, Tao; Liu, Ji-Kai","Carpesabrolide A, a novel meroterpenoid with anti-inflammatory activity from Carpesium abrotanoides","RSC Advances","2024","14","16","11002","11006","10.1039/D4RA00292J","","","1.54178","CuKα","","0.031","0.0295","","","0.0723","0.0731","","","","","","1.057","","","","has coordinates","291134","2024-04-06","01:30:46",""
"7248393","21.066","0.008","12.519","0.007","17.232","0.008","90","","90","","90","","4545","4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H52 Co3 N16 O5 -","- C38 H48 Co3 N16 O4 -","- C152 H192 Co12 N64 O16 -","4","1","","Bhunia, Sudip; Das, Mainak; Banerjee, Snehasis; Drew, Michael. G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik","Application of a distinctly bent, trinuclear, end-to-end azide bridged, mixed valence cobalt(iii/ii/iii) complex in the fabrication of photosensitive Schottky barrier diodes","RSC Advances","2024","14","16","11185","11196","10.1039/D4RA01406E","","","0.71073","MoKα","","0.0976","0.0604","","","0.0913","0.1059","","","","","","1.0454","","","","has coordinates","291142","2024-04-09","01:14:29",""
"7248395","24.6697","0.0019","13.3392","0.001","15.2344","0.0009","90","","115.878","0.004","90","","4510.5","0.6","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N10 S2 -","- C18 H24 Co N10 S2 -","- C144 H192 Co8 N80 S16 -","8","1","","Hannachi, Anissa; El Bakri, Youness; Saravanan, Kandasamy; Gómez-García, Carlos J.; Abuelizz, Hatem A.; Al-Salahi, Rashad; Smirani, Wajda","Metamagnetism and canted antiferromagnetic ordering in two monomeric CoII complexes with 1-(2-pyrimidyl)piperazine. Hirshfeld surface analysis and theoretical studies","RSC Advances","2024","14","16","11557","11569","10.1039/D4RA00716F","","","0.71073","MoKα","","0.1149","0.0615","","","0.0966","0.1111","","","","","","1.04","","","","has coordinates","291174","2024-04-11","01:25:08",""
"7248396","16.4142","0.0003","16.5691","0.0004","15.1392","0.0004","90","","90","","90","","4117.39","0.17","170","2","170","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Co N8 O S4 -","- C12 H16 Co N8 O S4 -","- C96 H128 Co8 N64 O8 S32 -","8","2","","Hannachi, Anissa; El Bakri, Youness; Saravanan, Kandasamy; Gómez-García, Carlos J.; Abuelizz, Hatem A.; Al-Salahi, Rashad; Smirani, Wajda","Metamagnetism and canted antiferromagnetic ordering in two monomeric CoII complexes with 1-(2-pyrimidyl)piperazine. Hirshfeld surface analysis and theoretical studies","RSC Advances","2024","14","16","11557","11569","10.1039/D4RA00716F","","","0.71073","MoKα","","0.0796","0.0493","","","0.0778","0.0859","","","","","","1.03","","","","has coordinates","291174","2024-04-11","01:25:10",""
"7248416","14.6897","0.0005","14.0457","0.0006","20.6528","0.0007","90","","104.441","0.001","90","","4126.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br O2 -","- C28 H19 Br O2 -","- C224 H152 Br8 O16 -","8","2","","Silber, Vincent; Gourlaouen, Christophe; Ruppert, Romain","Keto–enol equilibrium: stable tautomers of ortho-, meta-, and para-hydroquinones in large aromatics","RSC Advances","2024","14","17","11969","11976","10.1039/D4RA02202E","","","0.71073","MoKα","","0.0389","0.0295","","","0.0709","0.0764","","","","","","1.006","","","","has coordinates","291219","2024-04-16","01:33:25",""
"7248417","10.168","0.002","10.859","0.002","11.191","0.002","82.43","0.03","64.17","0.03","76.64","0.03","1081.4","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N2 O2 -","- C26 H34 N2 O2 -","- C52 H68 N4 O4 -","2","1","","Tian, Feng-Xian; Liu, Fan-Fan; Wei, Jian; Xiao, Jia-Xi; Qu, Jin","Redox-neutral α-functionalization of pyrrolidines: facile access to α-aryl-substituted pyrrolidines","RSC Advances","2024","14","17","11986","11991","10.1039/D4RA00983E","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","291220","2024-04-16","01:33:40",""
"7248418","8.1861","0.0011","11.0003","0.0016","14.636","0.002","76.208","0.005","78.404","0.004","86.588","0.004","1253.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O3 -","- C32 H26 N2 O3 -","- C64 H52 N4 O6 -","2","1","","Alkaltham, Manal Fahad; Almansour, Abdulrahman I.; Arumugam, Natarajan; Vagolu, Siva Krishna; Tønjum, Tone; Alaqeel, Shatha Ibrahim; Rajaratnam, Saiswaroop; Sivaramakrishnan, Venketesh","Activity against <i>Mycobacterium tuberculosis</i> of a new class of spirooxindolopyrrolidine embedded chromanone hybrid heterocycles.","RSC advances","2024","14","17","11604","11613","10.1039/d4ra01501k","","","0.71073","MoKα","","0.1243","0.0521","","","0.0963","0.1183","","","","","","1.034","","","","has coordinates","291221","2024-04-16","01:34:11",""
"7248419","10.392","0.002","11.038","0.002","13.93","0.003","66.842","0.006","83.821","0.008","68.789","0.006","1368.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C66 H56 N4 O8 -","2","1","","Alkaltham, Manal Fahad; Almansour, Abdulrahman I.; Arumugam, Natarajan; Vagolu, Siva Krishna; Tønjum, Tone; Alaqeel, Shatha Ibrahim; Rajaratnam, Saiswaroop; Sivaramakrishnan, Venketesh","Activity against <i>Mycobacterium tuberculosis</i> of a new class of spirooxindolopyrrolidine embedded chromanone hybrid heterocycles.","RSC advances","2024","14","17","11604","11613","10.1039/d4ra01501k","","","0.71073","MoKα","","0.0744","0.0471","","","0.104","0.1181","","","","","","1.008","","","","has coordinates","291221","2024-04-16","01:34:11",""
"7248420","36.4386","0.0008","9.7054","0.0003","30.3886","0.0007","90","","110.431","0.001","90","","10070.9","0.5","194","","194","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BPQ","Bis(pyreneloquinoxaline)","","- C64 H60 N4 -","- C64 H60 N4 -","- C512 H480 N32 -","8","1","","Zhang, Dongyang; Zhang, Fengyuan; Du, Hanyun; Liu, Fei; Yi, Xiaohui; Chen, Jun; Hu, Ben-Lin","U-shaped stereoscopic design strategy toward N-doped nanographene segment.","RSC advances","2024","14","17","11771","11774","10.1039/d4ra00788c","","x-ray","1.54178","CuKα","","0.1057","0.0711","","","0.193","0.231","","","","","","1.075","","","","has coordinates,has disorder","291222","2024-04-16","01:34:34",""
"7248423","10.1753","0.0002","10.828","0.0002","18.8802","0.0003","102.097","0.002","99.993","0.002","106.014","0.002","1894.91","0.07","293","2","180.15","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 N4 O4 -","- C46 H40 N4 O4 -","- C92 H80 N8 O8 -","2","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","","1.54184","CuKα","","0.0427","0.0375","","","0.1012","0.1042","","","","","","1.062","","","","has coordinates,has disorder","291248","2024-04-17","01:39:07",""
"7248424","10.57556","0.00011","33.1193","0.0003","9.47501","0.0001","90","","98.5987","0.001","90","","3281.37","0.06","149.98","0.16","149.98","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N4 O3 -","- C38 H28 N4 O3 -","- C152 H112 N16 O12 -","4","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","x-ray","1.54184","CuKα","","0.0475","0.0443","","","0.1296","0.1324","","","","","","1.031","","","","has coordinates","291248","2024-04-17","01:39:09",""
"7248425","14.20645","0.00012","9.47536","0.00007","21.65599","0.00018","90","","91.4501","0.0007","90","","2914.21","0.04","180","0.16","180","0.16","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl2 N4 O3 -","- C32 H28 Cl2 N4 O3 -","- C128 H112 Cl8 N16 O12 -","4","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","x-ray","1.54184","CuKα","","0.0588","0.0568","","","0.1529","0.1545","","","","","","1.044","","","","has coordinates","291248","2024-04-17","01:39:18",""
"7248426","29.7627","0.0004","9.05888","0.00012","18.3792","0.0002","90","","92.1028","0.0012","90","","4952","0.11","179.99","0.1","179.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 F N4 O2 -","- C30 H23 F N4 O2 -","- C240 H184 F8 N32 O16 -","8","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","x-ray","1.54184","CuKα","","0.0375","0.0334","","","0.0892","0.0916","","","","","","1.051","","","","has coordinates","291248","2024-04-17","01:39:35",""
"7248427","13.693","0.0003","26.2789","0.0005","16.4539","0.0004","90","","102.605","0.002","90","","5778","0.2","149.99","0.14","149.99","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H48 Cl4 N8 O6 Pd2 -","- C65 H48 Cl4 N8 O6 Pd2 -","- C260 H192 Cl16 N32 O24 Pd8 -","4","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","","1.54184","CuKα","","0.0762","0.0549","","","0.1371","0.1477","","","","","","1.053","","","","has coordinates,has disorder","291248","2024-04-17","01:39:36",""
"7248428","30.8184","0.0004","8.96166","0.00012","18.6116","0.0002","90","","94.5518","0.0012","90","","5124.01","0.11","179.98","0.1","179.98","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 N4 O2 -","- C31 H26 N4 O2 -","- C248 H208 N32 O16 -","8","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","x-ray","1.54184","CuKα","","0.0443","0.0373","","","0.0982","0.1017","","","","","","1.049","","","","has coordinates","291248","2024-04-17","01:39:44",""
"7248429","11.6496","0.0002","14.1847","0.0002","22.6036","0.0003","105.402","0.001","90.354","0.001","107.05","0.002","3428.4","0.1","179.97","0.14","179.97","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C80 H74 N8 O11 -","- C80 H74 N8 O11 -","- C160 H148 N16 O22 -","2","1","","Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.","LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts","RSC Advances","2024","14","17","12179","12191","10.1039/D4RA02173H","","x-ray","1.54184","CuKα","","0.0437","0.0392","","","0.103","0.1058","","","","","","1.06","","","","has coordinates,has disorder","291248","2024-04-17","01:40:01",""
"7248430","8.928","0.004","13.417","0.007","20.372","0.007","100.79","0.02","95.217","0.017","100.557","0.016","2336.7","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H39 Cl3 N2 O12 -","- C51 H39 Cl3 N2 O12 -","- C102 H78 Cl6 N4 O24 -","2","1","","Benny, Anjitha Theres; Thamim, Masthan; Srivastava, Prakhar; Suresh, Sindoora; Thirumoorthy, Krishnan; Rangasamy, Loganathan; S., Karthikeyan; Easwaran, Nalini; Radhakrishnan, Ethiraj Kannatt","Synthesis and study of antibiofilm and antivirulence properties of flavonol analogues generated by palladium catalyzed ligand free Suzuki–Miyaura coupling against Pseudomonas aeruginosa PAO1","RSC Advances","2024","14","18","12278","12293","10.1039/D3RA08617H","","","1.54184","CuKα","","0.1051","0.0734","","","0.184","0.2071","","","","","","1.035","","","","has coordinates,has disorder","291249","2024-04-17","01:41:00",""
"7248431","8.8256","0.0016","12.078","0.002","13.533","0.002","105.526","0.006","98.35","0.006","106.79","0.006","1291.4","0.4","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 Cl3 O7 -","- C26 H23 Cl3 O7 -","- C52 H46 Cl6 O14 -","2","1","","Benny, Anjitha Theres; Thamim, Masthan; Srivastava, Prakhar; Suresh, Sindoora; Thirumoorthy, Krishnan; Rangasamy, Loganathan; S., Karthikeyan; Easwaran, Nalini; Radhakrishnan, Ethiraj Kannatt","Synthesis and study of antibiofilm and antivirulence properties of flavonol analogues generated by palladium catalyzed ligand free Suzuki–Miyaura coupling against Pseudomonas aeruginosa PAO1","RSC Advances","2024","14","18","12278","12293","10.1039/D3RA08617H","","","0.71073","MoKα","","0.0937","0.0632","","","0.1421","0.1637","","","","","","1.028","","","","has coordinates","291249","2024-04-17","01:41:01",""
"7248432","11.47661","0.00014","17.9492","0.0002","17.0666","0.0003","90","","92.1926","0.0012","90","","3513.08","0.08","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 O2 P2 Pt Se -","- C43 H34 O2 P2 Pt Se -","- C172 H136 O8 P8 Pt4 Se4 -","4","1","","Atiga, Simeon; Saunders, Graham C.; Henderson, William","Selenosalicylate; a little-studied heavy-element analogue of the versatile thiosalicylate ligand","RSC Advances","2024","14","18","12323","12336","10.1039/D4RA00926F","","x-ray","1.54184","CuKα","","0.0291","0.0237","","","0.0548","0.0574","","","","","","1.0462","","","","has coordinates,has disorder","291250","2024-04-17","01:42:28",""
"7248433","9.5935","0.0003","12.8922","0.0003","12.4357","0.0005","90","","106.07","0.003","90","","1477.96","0.09","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O4 Ru2 Se2 -","- C34 H36 O4 Ru2 Se2 -","- C68 H72 O8 Ru4 Se4 -","2","0.5","","Atiga, Simeon; Saunders, Graham C.; Henderson, William","Selenosalicylate; a little-studied heavy-element analogue of the versatile thiosalicylate ligand","RSC Advances","2024","14","18","12323","12336","10.1039/D4RA00926F","","x-ray","1.54184","CuKα","","0.0279","0.0245","","","0.0611","0.0637","","","","","","1.0387","","","","has coordinates","291250","2024-04-17","01:42:30",""
"7248434","11.2452","0.00015","10.02131","0.00011","14.11953","0.00018","90","","99.208","0.0013","90","","1570.65","0.03","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 O4 Rh2 Se2 -","- C34 H38 O4 Rh2 Se2 -","- C68 H76 O8 Rh4 Se4 -","2","0.5","","Atiga, Simeon; Saunders, Graham C.; Henderson, William","Selenosalicylate; a little-studied heavy-element analogue of the versatile thiosalicylate ligand","RSC Advances","2024","14","18","12323","12336","10.1039/D4RA00926F","","x-ray","1.54184","CuKα","","0.0305","0.0235","","","0.051","0.0532","","","","","","1.0342","","","","has coordinates","291250","2024-04-17","01:42:48",""
"7248435","8.6583","0.0003","18.2265","0.0006","19.3876","0.0006","86.012","0.003","86.316","0.002","82.18","0.003","3019.12","0.17","99.9","0.5","99.9","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C70 H70 Ir2 O5 P2 Se2 -","- C70 H70 Ir2 O5 P2 Se2 -","- C140 H140 Ir4 O10 P4 Se4 -","2","1","","Atiga, Simeon; Saunders, Graham C.; Henderson, William","Selenosalicylate; a little-studied heavy-element analogue of the versatile thiosalicylate ligand","RSC Advances","2024","14","18","12323","12336","10.1039/D4RA00926F","","x-ray","1.54184","CuKα","","0.0369","0.0323","","","0.0685","0.071","","","","","","1.0508","","","","has coordinates,has disorder","291250","2024-04-17","01:42:50",""
"7248513","10.4218","0.0004","10.9812","0.0004","12.6764","0.0004","104.684","0.001","97.921","0.001","100.105","0.001","1356.04","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H60 Cl2 Co3 N4 O27 -","- C44 H60 Cl2 Co3 N4 O27 -","- C44 H60 Cl2 Co3 N4 O27 -","1","0.5","","Maity, Sovana; Bhunia, Sudip; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Formation of H-bonding networks in the solid state structure of a trinuclear cobalt(iii/ii/iii) complex with N2O2 donor Schiff base ligand and glutaric acid as bridging co-ligand: synthesis, structure and DFT study","RSC Advances","2024","14","19","13200","13208","10.1039/D3RA07697K","","","0.71073","MoKα","","0.0471","0.0424","","","0.1071","0.1101","","","","","","1.293","","","","has coordinates,has disorder","291343","2024-04-24","01:02:14",""
"7248514","10.5977","0.0005","10.9118","0.0005","11.3038","0.0005","70.094","0.002","79.697","0.002","80.099","0.002","1200.51","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N3 O2 Pt -","- C27 H29 N3 O2 Pt -","- C54 H58 N6 O4 Pt2 -","2","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.0139","0.0126","","","0.031","0.0316","","","","","","1.03","","","","has coordinates","291344","2024-04-24","01:03:01",""
"7248515","9.8997","0.0003","13.5956","0.0004","18.9893","0.0005","90","","99.627","0.002","90","","2519.82","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Br3 N3 O2 Pt -","- C24 H20 Br3 N3 O2 Pt -","- C96 H80 Br12 N12 O8 Pt4 -","4","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.1424","0.069","","","0.1604","0.2107","","","","","","0.932","","","","has coordinates","291344","2024-04-24","01:03:02",""
"7248516","23.563","0.0005","5.2983","0.0001","18.4229","0.0003","90","","90","","90","","2299.99","0.08","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H20 F3 N3 O2 Pt -","- C24 H20 F3 N3 O2 Pt -","- C96 H80 F12 N12 O8 Pt4 -","4","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.0385","0.0357","","","0.0796","0.0813","","","","","","1.079","","","","has coordinates,has disorder","291344","2024-04-24","01:03:02",""
"7248517","10.8336","0.0005","10.9407","0.0006","12.9074","0.0005","75.575","0.004","88.599","0.004","70.372","0.004","1392.61","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 N3 O2 Pt -","- C30 H35 N3 O2 Pt -","- C60 H70 N6 O4 Pt2 -","2","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.0649","0.0486","","","0.1007","0.1093","","","","","","1.049","","","","has coordinates","291344","2024-04-24","01:03:02",""
"7248518","9.6602","0.0003","13.4897","0.0004","18.9814","0.0006","90","","99.169","0.003","90","","2441.92","0.13","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl3 N3 O2 Pt -","- C24 H20 Cl3 N3 O2 Pt -","- C96 H80 Cl12 N12 O8 Pt4 -","4","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.0632","0.046","","","0.1063","0.1141","","","","","","1.049","","","","has coordinates","291344","2024-04-24","01:03:02",""
"7248519","10.2195","0.0004","10.2608","0.0005","21.3421","0.0008","90","","90.459","0.003","90","","2237.87","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F3 N3 O2 Pt -","- C24 H20 F3 N3 O2 Pt -","- C96 H80 F12 N12 O8 Pt4 -","4","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.0473","0.0387","","","0.0844","0.0899","","","","","","1.095","","","","has coordinates","291344","2024-04-24","01:03:02",""
"7248520","9.9894","0.0003","22.7931","0.0007","11.6752","0.0003","90","","93.968","0.003","90","","2651.95","0.13","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N4 O5 Pt -","- C28 H26 N4 O5 Pt -","- C112 H104 N16 O20 Pt4 -","4","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.047","0.0401","","","0.0708","0.0731","","","","","","1.195","","","","has coordinates","291344","2024-04-24","01:03:03",""
"7248521","12.4667","0.0005","13.3851","0.0007","18.9089","0.0006","93.304","0.003","98.761","0.003","104.327","0.004","3006.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.25 H74 N6 O4 Pt2 -","- C63.25 H74 N6 O4 Pt2 -","- C126.5 H148 N12 O8 Pt4 -","2","1","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.1412","0.0672","","","0.0903","0.1135","","","","","","0.97","","","","has coordinates,has disorder","291344","2024-04-24","01:03:03",""
"7248522","11.0129","0.0007","11.7585","0.0008","20.8975","0.0011","105.026","0.005","96.671","0.005","95.534","0.005","2573.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N3 O2 Pt -","- C27 H29 N3 O2 Pt -","- C108 H116 N12 O8 Pt4 -","4","2","","Thakur, Vasudha; Thomas, Jisha Mary; Adnan, Mohammad; Sivasankar, Chinnappan; Vijaya Prakash, G.; Thirupathi, Natesan","Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1−) complexes bearing acetylacetonate and picolinate ancillary ligands","RSC Advances","2024","14","19","13291","13305","10.1039/D4RA00828F","","","0.71073","MoKα","","0.1699","0.0761","","","0.0841","0.1056","","","","","","0.98","","","","has coordinates","291344","2024-04-24","01:03:03",""
"7248537","10.1548","0.0004","13.1857","0.0005","17.8205","0.0007","90","","99.4068","0.0013","90","","2354.05","0.16","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenoxathiin derivative","","- C25 H33.87 O4 S -","- C25 H33.87 O4 S -","- C100 H135.48 O16 S4 -","4","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","1.5418","CuKα","","0.0374","0.0369","","0.1038","0.1032","0.1038","","","","","","1.0017","","","","has coordinates,has disorder","291362","2024-04-26","01:05:16",""
"7248538","5.9326","0.0003","16.612","0.0009","26.1176","0.0014","90","","91.059","0.003","90","","2573.5","0.2","180","","180","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3,6,8-Tetra-tert-butyl-4-methoxydibenzofuran","","- C29 H42 O2 -","- C29 H42 O2 -","- C116 H168 O8 -","4","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","1.5418","CuKα","","0.0605","0.0525","","0.1486","0.1394","0.1486","","","","","","1","","","","has coordinates","291362","2024-04-26","01:05:17",""
"7248539","11.7442","0.0004","14.1049","0.0005","15.542","0.0006","63.69","0.0012","70.5333","0.0014","73.0289","0.0013","2144.02","0.14","180","","180","","","","101","","","","","4","P -1","-P 1","2","","","","- C43 H54 O10 S3 -","- C43 H54 O10 S3 -","- C86 H108 O20 S6 -","2","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","0.71073","MoKα","","0.059","0.0507","","0.1597","0.1447","0.1597","","","","","","0.9601","","","","has coordinates","291362","2024-04-26","01:05:17",""
"7248540","10.46238","0.00007","26.51526","0.00017","9.96612","0.00008","90","","101.307","0.0007","90","","2711.07","0.03","95","","95","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 O4 S -","- C29 H42 O4 S -","- C116 H168 O16 S4 -","4","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","1.54184","CuKα","","0.0333","0.0319","","0.0869","0.0854","0.0869","","","","","","0.9837","","","","has coordinates","291362","2024-04-26","01:05:17",""
"7248541","11.9907","0.00012","11.76474","0.00011","21.924","0.0003","90","","102.934","0.0011","90","","3014.29","0.06","120","","120","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 O3 S -","- C38 H36 O3 S -","- C152 H144 O12 S4 -","4","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","1.54184","CuKα","","0.0348","0.0327","","0.0923","0.0898","0.0923","","","","","","0.9799","","","","has coordinates","291362","2024-04-26","01:05:17",""
"7248542","15.7249","0.0004","14.5795","0.0004","18.6923","0.0005","90","","91.5925","0.0012","90","","4283.8","0.2","260","","260","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H54 O10 S3 -","- C43 H54 O10 S3 -","- C172 H216 O40 S12 -","4","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","1.54178","CuKα","","0.0495","0.0472","","0.1406","0.1357","0.1406","","","","","","0.9659","","","","has coordinates,has disorder","291362","2024-04-26","01:05:17",""
"7248543","21.367","0.0013","9.5552","0.0006","25.775","0.0015","90","","100.165","0.003","90","","5179.8","0.5","180","","180","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 Cl2 O12 S4 -","- C48 H64 Cl2 O12 S4 -","- C192 H256 Cl8 O48 S16 -","4","1","","Mamleev, Kamil; Čejka, Jan; Eigner, Václav; Krupička, Martin; Dvořáková, Hana; Lhoták, Pavel","Reactivity of phenoxathiin-based thiacalixarenes towards C-nucleophiles","RSC Advances","2024","14","19","13463","13473","10.1039/D4RA02524E","","","1.5418","CuKα","","0.0945","0.0901","","0.2637","0.2577","0.2637","","","","","","0.9993","","","","has coordinates,has disorder","291362","2024-04-26","01:05:17",""
"7248544","9.4024","0.0003","6.9264","0.0002","19.9477","0.0006","90","","100.097","0.001","90","","1278.97","0.07","297","2","297","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C17 H17 I4 N5 O3 S -","- C17 H17 I4 N5 O3 S -","- C34 H34 I8 N10 O6 S2 -","2","0.5","","Mohammed Hashim, K. K.; Manoj, E.","Aminoguanidine-based bioactive proligand as AIEE probe for anticancer and anticovid studies","RSC Advances","2024","14","19","13654","13668","10.1039/D4RA00554F","","","0.71073","MoKα","","0.0569","0.0394","","","0.0819","0.0888","","","","","","1.107","","","","has coordinates","291363","2024-04-26","01:05:40",""
"7248547","25.653","0.016","38.97","0.02","8.972","0.006","90","","90","","90","","8969","9","273","2","273","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H23 Cl N2 O8 Zn2 -","- C16 H23 Cl N2 O8 Zn2 -","- C256 H368 Cl16 N32 O128 Zn32 -","16","1","","Middya, Puspendu; Frontera, Antonio; Chattopadhyay, Shouvik","The crucial role of hydrogen bonding in shaping the structures of zinc-based coordination polymers using tridentate N, N, O donor reduced Schiff base ligands and bridging acetates","RSC Advances","2024","14","20","13905","13914","10.1039/D4RA00550C","","","0.71073","MoKα","","0.0441","0.0378","","","0.1044","0.1158","","","","","","1.129","","","","has coordinates","291376","2024-04-27","01:07:51",""
"7248548","14.662","0.008","16.055","0.009","21.525","0.013","90","","90","","90","","5067","5","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C17 H24 Br2 N2 O7 Zn2 -","- C17 H24 Br2 N2 O7 Zn2 -","- C136 H192 Br16 N16 O56 Zn16 -","8","1","","Middya, Puspendu; Frontera, Antonio; Chattopadhyay, Shouvik","The crucial role of hydrogen bonding in shaping the structures of zinc-based coordination polymers using tridentate N, N, O donor reduced Schiff base ligands and bridging acetates","RSC Advances","2024","14","20","13905","13914","10.1039/D4RA00550C","","","0.71073","MoKα","","0.0476","0.0359","","","0.1029","0.1134","","","","","","0.959","","","","has coordinates","291376","2024-04-27","01:07:52",""
"7248561","9.2975","0.0003","10.1675","0.0003","10.6317","0.0002","73.401","0.002","64.496","0.003","69.395","0.003","838.3","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N2 O3 -","- C18 H23 N2 O3 -","- C36 H46 N4 O6 -","2","1","","Rebbah, Bahija; El Haib, Abderrahim; Lahmady, Sara; Forsal, Issam; Gouygou, Maryse; Mallet-Ladeira, Sonia; Medaghri-Alaoui, Abdelouahid; Rakib, El Mostapha; Hannioui, Abdellah","Synthesis, characterization, and inhibition effects of a novel eugenol derivative bearing pyrrole functionalities on the corrosion of mild steel in a HCl acid solution.","RSC advances","2024","14","20","14152","14160","10.1039/d4ra01337a","","x-ray","1.54184","CuKα","","0.0433","0.0415","","","0.1077","0.1093","","","","","","1.024","","","","has coordinates,has disorder","291430","2024-05-01","01:06:36",""
"7248578","14.3029","0.0005","24.787","0.0009","55.5667","0.0017","90","","95.516","0.001","90","","19608.6","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C205 H287 Dy3 F12 N4 O9 S4 -","- C205 H287 Dy3 F12 N4 O9 S4 -","- C820 H1148 Dy12 F48 N16 O36 S16 -","4","1","","Rogacz, Katarzyna; Magott, Michał; Baś, Sebastian; Foltyn, Magdalena; Rams, Michał; Pinkowicz, Dawid","A photochromic trinuclear dysprosium(iii) single-molecule magnet with two distinct relaxation processes","RSC Advances","2024","14","21","14515","14522","10.1039/D4RA01645A","","","0.71073","MoKα","","0.1542","0.0668","","","0.1274","0.1578","","","","","","0.993","","","","has coordinates,has disorder","291472","2024-05-03","01:08:47",""
"7248596","26.628","0.003","6.9771","0.0007","14.7128","0.0015","90","","97.479","0.002","90","","2710.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cu2 N4 O4 -","- C32 H28 Cu2 N4 O4 -","- C128 H112 Cu8 N16 O16 -","4","0.5","","Majumdar, Dhrubajyoti; Gassoumi, Bouzid; Dey, Arka; Roy, Sourav; Ayachi, Sahbi; Hazra, Suman; Dalai, Sudipta","Synthesis, characterization, crystal structure, and fabrication of photosensitive Schottky device of a binuclear Cu(ii)-Salen complex: a DFT investigations","RSC Advances","2024","14","21","14992","15007","10.1039/D4RA01846J","","","0.71073","MoKα","","0.0346","0.0307","","","0.0799","0.0822","","","","","","1.181","","","","has coordinates","291790","2024-05-09","01:18:41",""
"7248605","5.6414","0.0002","32.4145","0.0013","6.7458","0.0003","90","","97.556","0.002","90","","1222.85","0.09","0","2","0","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H6 Cl2 N2 O2 -","- C15 H6 Cl2 N2 O2 -","- C60 H24 Cl8 N8 O8 -","4","1","","Le, Phong Q.; Dinh, Van M.; Nguyen, Huong D. T.; Ha, Hiep Q.; Truong, Thanh V.","Iodine-promoted amide formation via oxidative cleavage of indoles: novel quinazoline-4(3H)-one and tryptanthrin syntheses","RSC Advances","2024","14","22","15597","15603","10.1039/D4RA01807A","","","0.71073","MoKα","","0.0695","0.0429","","","0.0798","0.0879","","","","","","1.051","","","","has coordinates","297561","2025-02-01","07:07:35",""
"7248606","12.0685","0.0004","14.1345","0.0004","18.6642","0.0006","90","","95.688","0.002","90","","3168.1","0.17","","","0","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Br N2 O -","- C20 H13 Br N2 O -","- C160 H104 Br8 N16 O8 -","8","2","","Le, Phong Q.; Dinh, Van M.; Nguyen, Huong D. T.; Ha, Hiep Q.; Truong, Thanh V.","Iodine-promoted amide formation via oxidative cleavage of indoles: novel quinazoline-4(3H)-one and tryptanthrin syntheses","RSC Advances","2024","14","22","15597","15603","10.1039/D4RA01807A","","","0.71073","MoKα","","0.0492","0.0306","","","0.0618","0.069","","","","","","1.0404","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7248607","8.87694","0.00013","11.7651","0.0002","22.7128","0.0003","90","","90","","90","","2372.08","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C112 H104 N8 O12 S4 -","4","1","","Liu, Tingting; Wang, Jianbin; Xiao, Rou; Zhao, Junling","Switchable divergent synthesis of chiral indole derivatives via catalytic asymmetric dearomatization of 2,3-disubstituted indoles","RSC Advances","2024","14","22","15591","15596","10.1039/D4RA03231D","","x-ray","1.54184","CuKα","","0.0395","0.0364","","","0.0995","0.1019","","","","","","1.067","","","","has coordinates","291855","2024-05-15","01:15:06",""
"7248641","6.9862","0.0002","7.4451","0.0002","10.5854","0.0002","92.553","0.002","97.855","0.002","91.766","0.002","544.49","0.02","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 B F O2 Si -","- C10 H10 B F O2 Si -","- C20 H20 B2 F2 O4 Si2 -","2","1","","Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.","Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition","RSC Advances","2024","14","23","16069","16082","10.1039/D4RA02137A","","x-ray","0.71073","MoKα","","0.0304","0.0284","","","0.0768","0.0783","","","","","","1.046","","","","has coordinates","291948","2024-05-18","01:09:47",""
"7248642","8.6127","0.0002","7.0177","0.0002","11.1617","0.0003","90","","97.153","0.002","90","","669.38","0.03","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","6-Ethynyl-7-fluoro-1,1-dimethylbenzo[c][1,2,5]oxasilaborol-3(1H)-ol MeCN monosolvate","","- C12 H13 B F N O2 Si -","- C12 H13 B F N O2 Si -","- C24 H26 B2 F2 N2 O4 Si2 -","2","0.5","","Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.","Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition","RSC Advances","2024","14","23","16069","16082","10.1039/D4RA02137A","","x-ray","0.71073","MoKα","","0.0402","0.0335","","","0.0916","0.0971","","","","","","1.085","","","","has coordinates","291948","2024-05-18","01:09:47",""
"7248643","6.9876","0.0003","7.7137","0.0004","10.6833","0.0005","85.701","0.004","81.858","0.004","89.401","0.004","568.42","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","6-Ethynyl-7-chloro-1,1-dimethylbenzo[c][1,2,5]oxasilaborol-3(1H)-ol","","- C10 H10 B Cl O2 Si -","- C10 H10 B Cl O2 Si -","- C20 H20 B2 Cl2 O4 Si2 -","2","1","","Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.","Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition","RSC Advances","2024","14","23","16069","16082","10.1039/D4RA02137A","","x-ray","1.54184","CuKα","","0.0302","0.03","","","0.0773","0.0775","","","","","","1.084","","","","has coordinates","291948","2024-05-18","01:09:48",""
"7248644","8.8484","0.0004","11.1678","0.0004","12.0146","0.0005","89.089","0.003","77.254","0.003","80.69","0.003","1142.5","0.08","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","7-Fluoro-1,1-dimethyl-6-(1-(2-fluorophenylsulfonyl)-1H-1,2,3-triazol-4-yl)benzo[c][1,2,5]oxasilaborol-3(1H)-ol","","- C17 H15 B Cl3 F2 N3 O4 S Si -","- C17 H15 B Cl3 F2 N3 O4 S Si -","- C34 H30 B2 Cl6 F4 N6 O8 S2 Si2 -","2","1","","Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.","Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition","RSC Advances","2024","14","23","16069","16082","10.1039/D4RA02137A","","x-ray","0.71073","MoKα","","0.067","0.0489","","","0.1085","0.1181","","","","","","1.035","","","","has coordinates,has disorder","291948","2024-05-18","01:09:48",""
"7248645","12.2547","0.0002","21.3124","0.0004","14.789","0.0002","90","","91.981","0.001","90","","3860.24","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 F2 N8 O5 S2 Si2 -","- C36 H40 F2 N8 O5 S2 Si2 -","- C144 H160 F8 N32 O20 S8 Si8 -","4","1","","Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.","Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition","RSC Advances","2024","14","23","16069","16082","10.1039/D4RA02137A","","x-ray","1.54178","CuKα","","0.0497","0.0445","","","0.117","0.1226","","","","","","1.017","","","","has coordinates","291948","2024-05-18","01:09:48",""
"7248646","15.7378","0.0004","5.9671","0.0001","21.2618","0.0005","90","","97.318","0.002","90","","1980.41","0.08","100","2","100","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","4-(7-Fluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborol-6-yl)-1H-1,2,3-triazol-3-ium 4-chlorophenylsulfonate","","- C16 H16 B Cl F N3 O5 S Si -","- C16 H16 B Cl F N3 O5 S Si -","- C64 H64 B4 Cl4 F4 N12 O20 S4 Si4 -","4","1","","Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.","Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition","RSC Advances","2024","14","23","16069","16082","10.1039/D4RA02137A","","","1.54178","CuKα","","0.036","0.0298","","","0.0764","0.081","","","","","","1.04","","","","has coordinates","291948","2024-05-18","01:09:48",""
"7248669","14.6813","0.0005","15.2077","0.0005","16.935","0.0006","90","","110.478","0.001","90","","3542.1","0.2","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 Cl N2 O2 Pd -","- C38 H49 Cl N2 O2 Pd -","- C152 H196 Cl4 N8 O8 Pd4 -","4","1","","Chen, Wei; Chen, Kai; Wang, Xuejie; Yang, Linjie; Chen, Wanzhi","Pd/NHC catalyzed reduction and coupling of nitroaromatics for the synthesis of diarylamines","RSC Advances","2024","14","24","16624","16628","10.1039/D4RA00921E","","","0.71073","MoKα","","0.032","0.0248","","","0.0558","0.0591","","","","","","1.044","","","","has coordinates","292000","2024-05-23","01:12:12",""
"7248673","27.317","0.005","8.519","0.005","19.641","0.005","90","0.005","127.83","0.005","90","0.005","3610","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Dunkel, Petra; Bogdán, Dóra; Deme, Ruth; Zimber, Ádám; Ballayová, Veronika; Csizmadia, Eszter; Kontra, Bence; Kalydi, Eszter; Bényei, Attila; Mátyus, Péter; Mucsi, Zoltán","C(sp3)–H cyclizations of 2-(2-vinyl)phenoxy-tert-anilines","RSC Advances","2024","14","24","16784","16800","10.1039/D3RA08974F","","","0.71069","MoKα","","0.1174","0.0726","","","","0.1909","","","","","","1.061","","","","has coordinates","292013","2024-05-24","01:09:28",""
"7248674","8.745","0.001","9.836","0.001","17.535","0.001","90","","90","","90","","1508.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Dunkel, Petra; Bogdán, Dóra; Deme, Ruth; Zimber, Ádám; Ballayová, Veronika; Csizmadia, Eszter; Kontra, Bence; Kalydi, Eszter; Bényei, Attila; Mátyus, Péter; Mucsi, Zoltán","C(sp3)–H cyclizations of 2-(2-vinyl)phenoxy-tert-anilines","RSC Advances","2024","14","24","16784","16800","10.1039/D3RA08974F","","","0.71073","MoKα","","0.0694","0.0562","","","","0.1396","","","","","","1.095","","","","has coordinates","292013","2024-05-24","01:09:28",""
"7248685","9.719","0.0005","9.719","0.0005","7.17","0.0006","90","","90","","120","","586.53","0.07","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","apatite","Pb~5.09~Ca~3.78~K~1.13~(PO~4~)~6~F~0.87~","","- Ca3.78 F0.87 K1.13 O24 P6 Pb5.09 -","- Ca3.776 F0.866 K1.134 O24 P6 Pb5.0884 -","- Ca3.776 F0.866 K1.134 O24 P6 Pb5.0884 -","1","0.0833333","","Hamza, Mariam; Hamdi, Besma; Ben Ahmed, Ali; Capitelli, Francesco; El Feki, Hafed","Synthesis of a new potassium-substituted lead fluorapatite and its structural characterization","RSC Advances","2024","14","24","16876","16885","10.1039/D4RA01014K","","","0.71073","MoKα","","0.0575","0.0309","","","0.0546","0.0614","","","","","","0.971","","","","has coordinates","292029","2024-05-25","01:08:21",""
"7248725","9.1249","0.0017","12.094","0.002","10.995","0.002","90","","108.971","0.011","90","","1147.5","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 4-((3-(methoxycarbonyl)-2-methyl-1,1-dioxido-4-oxo-3,4-dihydro-2H-benzo[e][1,2]thiazin-3-yl)oxy)-2-methyl-2H-benzo[e][1,2]thiazine-3-carboxylate1,1-dioxide","","- C22 H20 N2 O10 S2 -","- C22 H20 N2 O10 S2 -","- C44 H40 N4 O20 S4 -","2","1","","Fatima, Muqudis; Siddiqui, Waseeq Ahmad; Choudhary, Muhammad Iqbal; Ashraf, Adnan; Niaz, Shanawer; Raza, Muhammad Asam; Alam, Seikh Mafiz; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Dahlous, Kholood Ahmed","Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies","RSC Advances","2024","14","24","16935","16944","10.1039/D4RA02009J","","","0.71073","MoKα","","0.0776","0.0546","","","0.1081","0.1212","","","","","","1.023","","","","has coordinates","292082","2024-05-29","01:59:30",""
"7248726","8.4275","0.0007","12.5962","0.0012","17.3509","0.0016","71.203","0.005","87.757","0.004","77.684","0.005","1702.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Methyl 2-(3-chlorophenethyl)-4-((2-(3-chlorophenethyl)-3-(methoxycarbonyl)- 1,1-dioxido-4-oxo-3,4-dihydro-2H-benzo[e][1,2]thiazin-3-yl)oxy)-2H-benzo [e][1,2]thiazine-3-carboxylate 1,1-dioxide","","- C34 H26 Cl2 N2 O10 S2 -","- C34 H26 Cl2 N2 O10 S2 -","- C68 H52 Cl4 N4 O20 S4 -","2","1","","Fatima, Muqudis; Siddiqui, Waseeq Ahmad; Choudhary, Muhammad Iqbal; Ashraf, Adnan; Niaz, Shanawer; Raza, Muhammad Asam; Alam, Seikh Mafiz; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Dahlous, Kholood Ahmed","Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies","RSC Advances","2024","14","24","16935","16944","10.1039/D4RA02009J","","","0.71073","MoKα","","0.1016","0.0593","","","0.131","0.1511","","","","","","1.014","","","","has coordinates","292083","2024-05-29","01:59:47",""
"7248727","8.112","0.004","17.079","0.01","22.56","0.013","90","","96.896","0.017","90","","3103","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-((3-(methoxycarbonyl)-1,1-dioxido-4-oxo-2-phenethyl-3,4-dihydro- 2H-benzo[e][1,2]thiazin-3-yl)oxy)-2-phenethyl-2H-benzo[e][1,2]thiazine-3 -carboxylate 1,1-dioxide","","- C34 H28 N2 O10 S2 -","- C34 H28 N2 O10 S2 -","- C136 H112 N8 O40 S8 -","4","1","","Fatima, Muqudis; Siddiqui, Waseeq Ahmad; Choudhary, Muhammad Iqbal; Ashraf, Adnan; Niaz, Shanawer; Raza, Muhammad Asam; Alam, Seikh Mafiz; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Dahlous, Kholood Ahmed","Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies","RSC Advances","2024","14","24","16935","16944","10.1039/D4RA02009J","","","0.71073","MoKα","","0.192","0.0998","","","0.2014","0.2495","","","","","","1.01","","","","has coordinates","292084","2024-05-29","02:00:04",""
"7248728","8.0501","0.0009","11.7489","0.0015","14.8904","0.0019","107.833","0.004","102.961","0.003","97.54","0.004","1275.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-ethyl-4-((2-ethyl-3-(methoxycarbonyl)-1,1-dioxido-4-oxo-3,4-dihydro- 2H-benzo[e][1,2]thiazin-3-yl)oxy)-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide","","- C24 H24 N2 O10 S2 -","- C24 H24 N2 O10 S2 -","- C48 H48 N4 O20 S4 -","2","1","","Fatima, Muqudis; Siddiqui, Waseeq Ahmad; Choudhary, Muhammad Iqbal; Ashraf, Adnan; Niaz, Shanawer; Raza, Muhammad Asam; Alam, Seikh Mafiz; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Dahlous, Kholood Ahmed","Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies","RSC Advances","2024","14","24","16935","16944","10.1039/D4RA02009J","","","0.71073","MoKα","","0.0702","0.0476","","","0.1187","0.1316","","","","","","1.044","","","","has coordinates","292085","2024-05-29","02:00:17",""
"7248729","20.4271","0.0005","15.4067","0.0006","17.8809","0.0006","90","","90.371","0.002","90","","5627.3","0.3","170","0.1","170","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 N5 -","- C31 H21 N5 -","- C248 H168 N40 -","8","2","","Shi, Hai-Xiong; Bao, Hong-Wei; Wu, Gui-Yuan","Solvation controlled excited-state dynamics in a donor–acceptor phenazine-imidazole derivative","RSC Advances","2024","14","24","17071","17076","10.1039/D4RA02417F","","x-ray","1.54184","CuKα","","0.1161","0.0793","","","0.2063","0.2262","","","","","","1.04","","","","has coordinates","292086","2024-05-29","02:00:31",""
"7248730","12.2945","0.0002","12.4454","0.0002","22.2997","0.0004","90","","90","","90","","3412.08","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Gemmacolide X","","- C30 H38 Cl O14.5 -","- C30 H38 Cl O14.5 -","- C120 H152 Cl4 O58 -","4","1","","Do, Hai Nhat; Chen, Yu-Ta; Chien, Su-Ying; Chen, You-Ying; Zhang, Mingzi M.; Tsou, Lun Kelvin; Chen, Jih-Jung; Wen, Zhi-Hong; Lo, Yi-Hao; Zheng, Li-Guo; Sung, Ping-Jyun","Chlorine-containing polyacetoxybriarane diterpenoids from the octocoral Junceella fragilis","RSC Advances","2024","14","24","17195","17201","10.1039/D4RA03062A","","","1.54178","CuKα","","0.031","0.0292","","","0.0758","0.0772","","","","","","1.044","","","","has coordinates","292087","2024-05-29","02:00:56",""
"7248731","22.8317","0.0003","22.8317","0.0003","10.2937","0.0002","90","","90","","120","","4647.06","0.12","200","2","200","2","","","","","","","","4","P 61","P 61","169","","Frajunolide I","","- C28 H35 Cl O12 -","- C28 H35 Cl O12 -","- C168 H210 Cl6 O72 -","6","1","","Do, Hai Nhat; Chen, Yu-Ta; Chien, Su-Ying; Chen, You-Ying; Zhang, Mingzi M.; Tsou, Lun Kelvin; Chen, Jih-Jung; Wen, Zhi-Hong; Lo, Yi-Hao; Zheng, Li-Guo; Sung, Ping-Jyun","Chlorine-containing polyacetoxybriarane diterpenoids from the octocoral Junceella fragilis","RSC Advances","2024","14","24","17195","17201","10.1039/D4RA03062A","","","1.54178","CuKα","","0.0393","0.0358","","","0.096","0.0989","","","","","","1.022","","","","has coordinates","292087","2024-05-29","02:00:58",""
"7248732","17.0912","0.0003","5.88627","0.0001","13.7901","0.0003","90","","109.188","0.002","90","","1310.26","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C60 H44 N4 O16 S4 -","4","1","","Lei, Xiaoqiang; Sun, Yanyan; Guo, Qinglan; Shi, Jiangong","Base mediated aza-[2 + 1] annulation and regioselective aziridine ring-opening cascade: mild synthesis of functionalized β-amino ketones from cyclic N-sulfonyl aldimines and α-carbonyl sulfonium salts","RSC Advances","2024","14","24","17178","17183","10.1039/D4RA02817A","","x-ray","1.54184","CuKα","","0.0416","0.0396","","","0.1085","0.1101","","","","","","1.069","","","","has coordinates","292088","2024-05-29","02:01:16",""
"7248747","13.2488","0.0001","13.1966","0.0001","16.3122","0.0001","90","","93.179","0.001","90","","2847.62","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H24 Cl2 N2 O2 -","- C37 H24 Cl2 N2 O2 -","- C148 H96 Cl8 N8 O8 -","4","1","","Chen‡, Meiling; Chen‡, Yuzhuo; Su, Zhongzhen; Li, Yuchun; Fei, Hanxiao; Zhang, Hua; Wu, Yunan","Achievement of efficient thermally activated delayed fluorescence materials based on 1,8-naphthalimide derivatives exhibiting piezochromic and thermochromic luminescence","RSC Advances","2024","14","25","17434","17439","10.1039/D4RA02981J","","x-ray","1.54184","CuKα","","0.0785","0.0757","","","0.2295","0.2324","","","","","","1.056","","","","has coordinates,has disorder","292112","2024-05-30","01:04:57",""
"7248758","7.7207","0.0008","7.7941","0.0008","9.5977","0.0009","81.799","0.008","83.134","0.008","66.739","0.01","523.91","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl6 N4 O2 Pd -","- C12 H24 Cl6 N4 O2 Pd -","- C12 H24 Cl6 N4 O2 Pd -","1","0.5","","Bougossa, Sarra; Mhadhbi, Noureddine; Ben Ahmed, Ali; Hamdi, Mohamed; Elghniji, Kais; Erwann, Jeanneau; Hamden, Khaled; Oueslati, Abderrazek; Naïli, Houcine","Design of a new palladium(ii) halide complex as a bio-active material: synthesis, physico-chemical studies, DFT-computations and evaluation of anti-inflammatory, antioxidant and anti-gastric damage activities","RSC Advances","2024","14","25","17413","17433","10.1039/D4RA02984D","","x-ray","0.71073","MoKα","","0.078","0.0558","","","0.1286","0.1587","","","","","","1.191","","","","has coordinates","292125","2024-05-31","01:18:48",""
"7248759","16.8509","0.0003","16.8509","0.0003","16.8509","0.0003","90","","90","","90","","4784.86","0.15","296","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C24 H30 N12 O4 Zn3 -","- C24 H30 N12 O4 Zn3 -","- C96 H120 N48 O16 Zn12 -","4","0.0833333","","Sun, Yihui; Zhang, Hui; Lv, Yan; An, Shengli; Wang, Ruifen","ZIF-8/g-C3N4 photocatalysts: enhancing CO2 reduction through improved adsorption and photocatalytic performance","RSC Advances","2024","14","25","17498","17506","10.1039/D4RA02548B","","","1.54178","CuKα","","0.0689","0.0688","","","0.2089","0.209","","","","","","2.098","","","","has coordinates","292126","2024-05-31","01:19:05",""
"7248760","22.17","0.0004","7.54141","0.00012","34.4865","0.0004","90","","90","","90","","5765.9","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H25 Cl F2 N6 O4 -","- C28 H25 Cl F2 N6 O4 -","- C224 H200 Cl8 F16 N48 O32 -","8","1","","Patel, Upendra Kumar; Tiwari, Punit; Tilak, Ragini; Joshi, Gaurav; Kumar, Roshan; Agarwal, Alka","Synthesis of ciprofloxacin-linked 1,2,3-triazole conjugates as potent antibacterial agents using click chemistry: exploring their function as DNA gyrase inhibitors via in silico- and in vitro-based studies","RSC Advances","2024","14","24","17051","17070","10.1039/D4RA01332H","","","1.54184","CuKα","","0.065","0.0539","","","0.1532","0.1619","","","","","","1.063","","","","has coordinates","292127","2024-05-31","01:19:32",""
"7248761","11.7334","0.0002","12.3293","0.0002","22.1027","0.0004","97.262","0.001","98.652","0.002","102.266","0.001","3047.14","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate","","- C33 H28 Cl F N6 O4 -","- C33 H28 Cl F N6 O4 -","- C132 H112 Cl4 F4 N24 O16 -","4","2","","Patel, Upendra Kumar; Tiwari, Punit; Tilak, Ragini; Joshi, Gaurav; Kumar, Roshan; Agarwal, Alka","Synthesis of ciprofloxacin-linked 1,2,3-triazole conjugates as potent antibacterial agents using click chemistry: exploring their function as DNA gyrase inhibitors via in silico- and in vitro-based studies","RSC Advances","2024","14","24","17051","17070","10.1039/D4RA01332H","","","1.54184","CuKα","","0.0866","0.0655","","","0.1963","0.2152","","","","","","1.069","","","","has coordinates","292127","2024-05-31","01:19:34",""
"7248766","7.4408","0.0001","8.1893","0.0002","12.2524","0.0003","87.694","0.002","82.047","0.002","85.253","0.002","736.57","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","tricarbonyl-imidazole-(quinolin-8-olato-N,O)-rhenium(I)","","- C15 H10 N3 O4 Re -","- C15 H10 N3 O4 Re -","- C30 H20 N6 O8 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","0.71073","MoKα","","0.0189","0.0166","","","0.0317","0.0324","","","","","","1.077","","","","has coordinates","292224","2024-06-06","01:21:04",""
"7248767","10.2609","0.0001","17.445","0.0002","23.0438","0.0003","90","","93.555","0.001","90","","4116.94","0.08","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H15.5 N3.5 O4 Re -","- C22 H15.5 N3.5 O4 Re -","- C176 H124 N28 O32 Re8 -","8","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0294","0.0251","","","0.06","0.0626","","","","","","1.037","","","","has coordinates,has disorder","292224","2024-06-06","01:21:05",""
"7248768","8.1183","0.0002","20.2662","0.0004","10.2281","0.0002","90","","95.549","0.002","90","","1674.91","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tricarbonyl-(3,5-dimethylpyrazole)-(quinolin-8-olato-N,O)-rhenium(I)","","- C17 H14 N3 O4 Re -","- C17 H14 N3 O4 Re -","- C68 H56 N12 O16 Re4 -","4","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","x-ray","0.71073","MoKα","","0.0332","0.0258","","","0.0488","0.052","","","","","","1.083","","","","has coordinates","292224","2024-06-06","01:21:06",""
"7248769","13.0393","0.0001","9.4738","0.0001","14.1877","0.0001","90","","115.34","0.001","90","","1584","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tricarbonyl-(2-methylimidazole)-(quinolin-8-olato-N,O)-rhenium(I)","","- C16 H12 N3 O4 Re -","- C16 H12 N3 O4 Re -","- C64 H48 N12 O16 Re4 -","4","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0212","0.0182","","","0.0424","0.0441","","","","","","1.047","","","","has coordinates","292224","2024-06-06","01:21:06",""
"7248770","7.37137","0.00015","8.22667","0.00018","12.8439","0.0004","104.939","0.002","94.72","0.002","93.3929","0.0017","747.38","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","tricarbonyl-imidazole-(2-methylquinolin-8-olato-N,O)-rhenium(I)","","- C16 H12 N3 O4 Re -","- C16 H12 N3 O4 Re -","- C32 H24 N6 O8 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","x-ray","1.54184","CuKα","","0.0167","0.0159","","","0.0389","0.0394","","","","","","1.051","","","","has coordinates","292224","2024-06-06","01:21:06",""
"7248771","7.5357","0.0003","8.1793","0.0003","12.8369","0.0006","85.268","0.003","78.455","0.004","84.5","0.003","770.02","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","tricarbonyl-imidazole-(5-chloroquinolin-8-olato-N,O)-rhenium(I)","","- C15 H9 Cl N3 O4 Re -","- C15 H9 Cl N3 O4 Re -","- C30 H18 Cl2 N6 O8 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","0.71073","MoKα","","0.0202","0.0182","","","0.041","0.0418","","","","","","1.044","","","","has coordinates","292224","2024-06-06","01:21:06",""
"7248772","11.5721","0.0003","15.9025","0.0005","9.6875","0.0003","90","","106.476","0.003","90","","1709.54","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tricarbonyl-(3,5-dimethylpyrazole)-(2-methylquinolin-8-olato-N,O)-rhenium(I)","","- C18 H16 N3 O4 Re -","- C18 H16 N3 O4 Re -","- C72 H64 N12 O16 Re4 -","4","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","0.71073","MoKα","","0.0215","0.0177","","","0.0371","0.0386","","","","","","1.087","","","","has coordinates","292224","2024-06-06","01:21:07",""
"7248773","8.1187","0.0002","9.2533","0.0003","11.835","0.0004","92.174","0.003","102.111","0.003","92.651","0.002","867.35","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","tricarbonyl-imidazole-(quinolin-8-olato-N,O)-rhenium(I) methanol solvate","","- C16 H14 N3 O5 Re -","- C16 H14 N3 O5 Re -","- C32 H28 N6 O10 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","0.71073","MoKα","","0.0274","0.0247","","","0.045","0.0463","","","","","","1.013","","","","has coordinates","292224","2024-06-06","01:21:07",""
"7248774","6.45743","0.00012","15.9593","0.0003","15.6659","0.0002","90","","100.521","0.0016","90","","1587.32","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","methanol-tricarbonyl-(5-chloroquinolin-8-olato-N,O)-rhenium(I) methanol solvate","","- C14 H13 Cl N O6 Re -","- C14 H13 Cl N O6 Re -","- C56 H52 Cl4 N4 O24 Re4 -","4","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0254","0.0192","","","0.0427","0.0442","","","","","","1.032","","","","has coordinates","292224","2024-06-06","01:21:07",""
"7248775","7.4449","0.0002","9.4022","0.0004","16.3685","0.0007","74.151","0.004","77.427","0.003","72.802","0.003","1041.18","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","tricarbonyl-(5-phenyl-1H-pyrazole)-(5-chloroquinolin-8-olato-N,O)-rhenium(I) methanol solvate","","- C22 H18 N3 O5 Re -","- C22 H18 N3 O5 Re -","- C44 H36 N6 O10 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0253","0.0246","","","0.0637","0.0641","","","","","","1.104","","","","has coordinates","292224","2024-06-06","01:21:09",""
"7248776","7.96094","0.00006","19.9948","0.0002","11.1475","0.00011","90","","95.6676","0.0008","90","","1765.76","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tricarbonyl-(3,5-dimethylpyrazole)-(5-chloroquinolin-8-olato-N,O)-rhenium(I)","","- C17 H13 Cl N3 O4 Re -","- C17 H13 Cl N3 O4 Re -","- C68 H52 Cl4 N12 O16 Re4 -","4","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","x-ray","1.54184","CuKα","","0.0253","0.0217","","","0.0431","0.0444","","","","","","1.054","","","","has coordinates","292224","2024-06-06","01:21:18",""
"7248777","7.895","0.0002","10.3914","0.0004","12.3893","0.0003","79.872","0.003","84.527","0.002","83.437","0.003","991.07","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","tricarbonyl-(5-phenyl-1H-pyrazole)-(2-methylquinolin-8-olato-N,O)-rhenium(I)","","- C22 H16 N3 O4 Re -","- C22 H16 N3 O4 Re -","- C44 H32 N6 O8 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0224","0.0218","","","0.0549","0.0552","","","","","","1.087","","","","has coordinates","292224","2024-06-06","01:21:21",""
"7248778","9.8714","0.0006","10.2322","0.0006","11.4613","0.0006","67.014","0.005","75.785","0.005","65.454","0.006","964.62","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","tricarbonyl-(5-phenyl-1H-pyrazole)-(5-chloroquinolin-8-olato-N,O)-rhenium(I)","","- C21 H13 Cl N3 O4 Re -","- C21 H13 Cl N3 O4 Re -","- C42 H26 Cl2 N6 O8 Re2 -","2","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0365","0.0289","","","0.0635","0.0659","","","","","","1.035","","","","has coordinates","292224","2024-06-06","01:21:30",""
"7248779","14.2506","0.0003","15.7017","0.0003","18.1171","0.0004","90","","111.31","0.003","90","","3776.69","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tricarbonyl-(2-methylimidazole)-(5-chloroquinolin-8-olato-N,O)-rhenium(I)acetonitrile solvate","","- C18 H14 Cl N4 O4 Re -","- C18 H14 Cl N4 O4 Re -","- C144 H112 Cl8 N32 O32 Re8 -","8","2","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0336","0.0276","","","0.068","0.0714","","","","","","1.035","","","","has coordinates,has disorder","292224","2024-06-06","01:21:32",""
"7248780","7.23554","0.00004","17.95049","0.00011","12.33498","0.0001","90","","93.2445","0.0006","90","","1599.52","0.019","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tricarbonyl-(2-methylimidazole)-(2-methylquinolin-8-olato-N,O)-rhenium(I)","","- C17 H14 N3 O4 Re -","- C17 H14 N3 O4 Re -","- C68 H56 N12 O16 Re4 -","4","1","","Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.","Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics","RSC Advances","2024","14","25","18080","18092","10.1039/D4RA03141E","","","1.54184","CuKα","","0.0134","0.0126","","","0.03","0.0303","","","","","","1.064","","","","has coordinates","292224","2024-06-06","01:21:40",""
"7248849","11.9361","0.00009","16.71476","0.00012","20.98996","0.00014","90","","90","","90","","4187.69","0.05","100","0.1","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","6'-(Diethylamino)-1',2'-benzofluoran","9-(diethylamino)spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C224 H184 N8 O24 -","8","1","","Pawłów, J; Wilk-Kozubek, M; Czajkowski, M.; Zdończyk, M; Cybińska, J","Innovative use of liquid crystalline acids as color developers in leuco dye-based temperature sensors.","RSC advances","2024","14","26","18663","18670","10.1039/d4ra01867b","","","1.54184","CuKα","","0.0348","0.0346","","","0.0844","0.0846","","","","","","1.041","","","","has coordinates","292340","2024-06-13","01:30:07",""
"7248850","13.485","0.0018","11.0322","0.0014","21.808","0.003","90","","104.878","0.004","90","","3135.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H31 N3 O3 -","- C40 H31 N3 O3 -","- C160 H124 N12 O12 -","4","1","","Arumugam, Natarajan; Darshan V. M., Datta; Venketesh, Vishal; Pradhan, Sai Sanwid; Garg, Anuj; Sivaramakrishnan, Venketesh; Kanchi, Subbarao; Mahalingam, Sakkarapalayam M.","Synthesis, computational docking and molecular dynamics studies of a new class of spiroquinoxalinopyrrolidine embedded chromanone hybrids as potent anti-cholinesterase agents","RSC Advances","2024","14","26","18815","18831","10.1039/D4RA02432J","","","0.71073","MoKα","","0.1739","0.0909","","","0.164","0.1948","","","","","","1.129","","","","has coordinates","292341","2024-06-13","01:30:35",""
"7248851","10.2438","0.0001","19.806","0.0002","35.2267","0.0003","90","","94.35","0.001","90","","7126.51","0.12","119.99","0.1","119.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","EKR126","","- C53 H42 Cr N O12 S32 -","- C53 H42 Cr N O12 S32 -","- C212 H168 Cr4 N4 O48 S128 -","4","0.5","","Blundell, Toby J.; Ogar, Joseph O.; Brannan, Michael J.; Rusbridge, Elizabeth K.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","BEDT-TTF radical-cation salts with tris(oxalato)chromate and guest additives.","RSC advances","2024","14","26","18444","18452","10.1039/d4ra03425b","","x-ray","1.54184","CuKα","","0.0885","0.0877","","","0.1834","0.1838","","","","","","1.204","","","","has coordinates,has disorder","292342","2024-06-13","01:31:05",""
"7248852","10.327","0.0002","19.9211","0.0004","35.3072","0.0007","90","","93.139","0.007","90","","7252.7","0.3","298","","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cr O14 S32 -","- C52 H40 Cr O14 S32 -","- C208 H160 Cr4 O56 S128 -","4","0.5","","Blundell, Toby J.; Ogar, Joseph O.; Brannan, Michael J.; Rusbridge, Elizabeth K.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","BEDT-TTF radical-cation salts with tris(oxalato)chromate and guest additives.","RSC advances","2024","14","26","18444","18452","10.1039/d4ra03425b","","","0.71075","MoKα","","0.0457","0.0391","","","0.105","0.1097","","","","","","1.04","","","","has coordinates,has disorder","292342","2024-06-13","01:31:06",""
"7248853","10.3201","0.0011","19.97","0.003","35.467","0.004","90","","92.995","0.007","90","","7299.5","1.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H39 Cr O15 S32 -","- C46 H35 Cr O13 S32 -","- C184 H140 Cr4 O52 S128 -","4","0.5","","Blundell, Toby J.; Ogar, Joseph O.; Brannan, Michael J.; Rusbridge, Elizabeth K.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","BEDT-TTF radical-cation salts with tris(oxalato)chromate and guest additives.","RSC advances","2024","14","26","18444","18452","10.1039/d4ra03425b","","","0.71075","MoKα","","0.2843","0.2301","","","0.5352","0.5535","","","","","","3.33","","","","has coordinates","292342","2024-06-13","01:31:06",""
"7248854","6.5405","0.0004","10.9927","0.0006","14.465","0.0008","68.977","0.002","81.458","0.002","76.809","0.002","942.61","0.09","200","","200","","","","","","","","","6","P -1","-P 1","2","","Pr(hpo)(mpo)2(H2O)2","","- C15 H16 N3 O6 Pr S2 -","- C15 H16 N3 O6 Pr S2 -","- C30 H32 N6 O12 Pr2 S4 -","2","1","","Zhu, Qiuyin; Hsu, Wayne; Wang, Shenglong; Lin, Fenglong; Wu, Yincai; Fang, Yimin; Chen, Jinglin; Song, Lijun","Synthesis, antimicrobial activity and application of polymers of praseodymium complexes based on pyridine nitrogen oxide.","RSC advances","2024","14","26","18519","18527","10.1039/d4ra03003f","","","0.71073","MoKα","","0.0387","0.0305","","","0.0665","0.0724","","","","","","1.097","","","","has coordinates","292343","2024-06-13","01:31:37",""
"7248855","8.4728","0.0005","9.7873","0.0005","13.7277","0.0008","92.265","0.002","107.891","0.002","92.928","0.002","1080.09","0.11","200","2","200","","","","","","","","","6","P -1","-P 1","2","","Pr2(mpo)6(H2O)2","","- C30 H40 N6 O14 Pr2 S6 -","- C30 H40 N6 O14 Pr2 S6 -","- C30 H40 N6 O14 Pr2 S6 -","1","0.5","","Zhu, Qiuyin; Hsu, Wayne; Wang, Shenglong; Lin, Fenglong; Wu, Yincai; Fang, Yimin; Chen, Jinglin; Song, Lijun","Synthesis, antimicrobial activity and application of polymers of praseodymium complexes based on pyridine nitrogen oxide.","RSC advances","2024","14","26","18519","18527","10.1039/d4ra03003f","","","0.71073","MoKα","","0.0371","0.0371","","","0.0941","0.0942","","","","","","1.077","","","","has coordinates","292343","2024-06-13","01:31:37",""
"7248856","11.3667","0.0003","7.8133","0.0002","14.3984","0.0004","90","","105.313","0.001","90","","1233.34","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H22 Br F3 N2 O3 -","- C27 H24 Br F3 N2 O3 -","- C54 H48 Br2 F6 N4 O6 -","2","1","","Pu, Yiru; Wang, Maolin; Tian, Wanrong; Ge, Xian; Zhu, Dikai; Wang, Chuanqi; Zeng, Yingjie; Tao, Feiyan; Deng, Yun; Lu, Jun","N-heterocyclic carbene catalyzed [2 + 3] annulation reaction for the synthesis of trifluoroethyl 3,2'-spirooxindole γ-lactam.","RSC advances","2024","14","26","18453","18458","10.1039/d4ra02252a","","","1.54178","CuKα","","0.0367","0.0346","","","0.1131","0.1171","","","","","","0.982","","","","has coordinates","292344","2024-06-13","01:31:54",""
"7248857","10.2357","0.0004","12.1215","0.0005","14.9718","0.0006","76.079","0.002","80.501","0.002","79.118","0.002","1756.6","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Polymeric Cu-complex","","- C58 H88 Cu3 I2 N16 O10 -","- C58 H88 Cu3 I2 N16 O10 -","- C58 H88 Cu3 I2 N16 O10 -","1","0.5","","Bhuyan, Amar Jyoti; Nath, Partha Pratim; Bharali, Sourav Jyoti; Saikia, Lakhinath","A novel μ<sub>3</sub>-CO<sub>3</sub> bridged linear polymeric Cu-complex ([Cu<sub>3</sub>(DMAP)<sub>8</sub>(μ<sub>3</sub>-CO<sub>3</sub>)<sub>2</sub>]I<sub>2</sub>) <sub><i>n</i></sub> ·<i>x</i>H<sub>2</sub>O: synthesis, characterization and catalytic applications in the synthesis of phenoxypyrimidines and arylthiopyrimidines <i>via</i> C-O and C-S cross-coupling reactions.","RSC advances","2024","14","26","18478","18488","10.1039/d4ra00001c","","","0.71073","MoKα","","0.0731","0.0453","","","0.111","0.1251","","","","","","1.009","","","","has coordinates","292345","2024-06-13","01:32:08",""
"7248858","8.8506","0.0005","9.2538","0.0005","14.0175","0.0008","74.262","0.005","72.168","0.005","88.125","0.004","1050.34","0.11","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","x-ray","1.54184","CuKα","","0.0844","0.0829","","","0.2175","0.2197","","","","","","1.128","","","","has coordinates","292382","2024-06-14","01:08:32",""
"7248859","10.067","0.0006","10.0808","0.0006","11.2764","0.0007","90.46","0.005","92.74","0.005","108.443","0.005","1084.03","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(u6-oxo)-tetradecakis(u2-oxo)-octaoxo-bis(N-(2-oxy-3-(methoxy)benzylidene)nicotinylhydrazonato)-octa-molybdenum","","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","x-ray","0.71073","MoKα","","0.1312","0.0598","","","0.0615","0.0737","","","","","","0.934","","","","has coordinates","292382","2024-06-14","01:08:33",""
"7248860","10.0231","0.0001","10.7273","0.0003","12.9277","0.0003","73.422","0.002","72.752","0.002","66.204","0.002","1192.6","0.05","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Mo8 N8 O29 -","- C32 H30 Mo8 N8 O29 -","- C32 H30 Mo8 N8 O29 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","x-ray","1.54184","CuKα","","0.0386","0.036","","","0.0942","0.0968","","","","","","1.047","","","","has coordinates","292382","2024-06-14","01:08:33",""
"7248861","8.9721","0.0003","10.7368","0.0002","16.4964","0.0004","104.858","0.002","104.62","0.002","94.02","0.002","1470.73","0.07","169.99","","169.99","","","","","","","","","5","P -1","-P 1","2","","[N'-(2-oxo-3-methoxybenzylidene)nicotinoylhydrazonium](acetone)dioxomolybdenum(vi) hexamolybdate acetone solvate","","- C40 H48 Mo8 N6 O33 -","- C40 H48 Mo8 N6 O33 -","- C40 H48 Mo8 N6 O33 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","x-ray","1.54184","CuKα","","0.0477","0.0453","","","0.1229","0.1252","","","","","","1.069","","","","has coordinates,has disorder","292382","2024-06-14","01:08:33",""
"7248862","10.1475","0.0004","10.3331","0.0005","14.6331","0.0005","108.527","0.004","92.219","0.003","110.565","0.004","1342.45","0.11","150","2","150","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-3-methoxybenzylidene)nicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetone solvate","","- C34 H40 Mo8 N6 O33 -","- C34 H40 Mo8 N6 O33 -","- C34 H40 Mo8 N6 O33 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","","0.71073","MoKα","","0.1054","0.0517","","","0.0789","0.0898","","","","","","0.962","","","","has coordinates","292382","2024-06-14","01:08:34",""
"7248863","10.6083","0.0008","10.7813","0.0006","12.8485","0.0006","106.66","0.005","106.352","0.006","99.224","0.005","1303.62","0.16","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Mo8 N6 O33 -","- C34 H40 Mo8 N6 O33 -","- C34 H40 Mo8 N6 O33 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","x-ray","1.54184","CuKα","","0.0673","0.0634","","","0.1747","0.182","","","","","","1.05","","","","has coordinates","292382","2024-06-14","01:08:34",""
"7248864","8.8403","0.0002","9.1695","0.0002","14.0494","0.0003","106.381","0.002","105.966","0.002","93.753","0.002","1037.78","0.04","169.99","0.1","169.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","1","0.5","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","x-ray","1.54184","CuKα","","0.0818","0.0802","","","0.1975","0.2002","","","","","","1.172","","","","has coordinates","292382","2024-06-14","01:08:34",""
"7248865","11.2569","0.0003","9.2706","0.0002","21.2974","0.0005","90","","103.717","0.002","90","","2159.17","0.09","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis((aquo)-dioxo-(N-(2-oxy-3-methoxybenzylidene)nicotinylhydrazonato)-molybdenum(vi)) hexamolybdate","","- C56 H56 Mo16 N12 O62 -","- C56 H56 Mo16 N12 O62 -","- C56 H56 Mo16 N12 O62 -","1","0.25","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","","0.71073","MoKα","","0.05","0.0347","","","0.0709","0.0793","","","","","","1.06","","","","has coordinates","292382","2024-06-14","01:08:34",""
"7248866","10.8391","0.0001","17.0475","0.0001","18.7075","0.0001","88.584","0.001","84.114","0.001","88.515","0.001","3436.54","0.04","170.15","","170.15","","","","","","","","","5","P -1","-P 1","2","","[(?2-oxo)[4-methoxy-2-oxidophenyl)methylidene]pyridin-1-ium-4-carbohydrazone-O,O',N)oxomolybdenum(VI)] {bis-[(?2-oxo)((4-methoxy-2-oxidophenyl)methylidene)pyridin-1-ium-4-carbohydrazidato-O,O',N)oxomolybdenum(VI)] dodecakis(?-oxido)-tetradecaoxooctamolybdenum(VI)}","","- C46 H42 Mo11 N11 O42 -","- C46 H42 Mo11 N11 O42 -","- C92 H84 Mo22 N22 O84 -","2","1","","Pisk, Jana; Vrdoljak, Višnja; Mandarić, Mirna; Hrenar, Tomica; Agustin, Dominique; Rubčić, Mirta","Impact of POM's coordination mode and Mo-hybrid constituents on the binding, stability, and catalytic properties of hybrid (pre)catalysts","RSC Advances","2024","14","27","19029","19040","10.1039/D4RA03563A","","","1.54184","CuKα","","0.0436","0.0389","","","0.1029","0.1058","","","","","","1.082","","","","has coordinates,has disorder","292382","2024-06-14","01:08:34",""
"7248885","13.7061","0.0005","35.5623","0.0012","9.8813","0.0003","90","","106.416","0.004","90","","4620","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H63 F6 N8 O4 P -","- C42 H63 F6 N8 O4 P -","- C168 H252 F24 N32 O16 P4 -","4","1","","Munteanu, Tatiana; Longevial, Jean-François; Canard, Gabriel; Jacquemin, Denis; Pascal, Simon; Siri, Olivier","Post-functionalization of triamino-phenazinium dyes to reach near-infrared emission","RSC Advances","2024","14","27","19257","19263","10.1039/D4RA03245D","","x-ray","1.54184","CuKα","","0.1501","0.1313","","","0.2814","0.2901","","","","","","1.124","","","","has coordinates,has disorder","292438","2024-06-18","01:17:10",""
"7248887","6.9643","0.0008","17.995","0.002","11.248","0.0013","90","","104.494","0.004","90","","1364.8","0.3","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 F O3 -","- C18 H11 F O3 -","- C72 H44 F4 O12 -","4","1","","Wang, Hua; Ma, Qin; Xu, Yifei; Sun, Yanyan; Zhao, Siyuan; Wang, Shaoyin; He, Xinwei","Modular access to furo[3,2-c]chromen-4-ones via Yb(OTf)3-catalyzed [3 + 2] annulation of 4-hydroxycoumarins with β-nitroalkenes","RSC Advances","2024","14","27","19581","19585","10.1039/D4RA03962A","","","0.71073","MoKα","","0.0886","0.0607","","","0.2102","0.2349","","","","","","1.089","","","","has coordinates","292457","2024-06-19","01:18:38",""
"7248897","15.974","0.003","15.974","0.003","27.244","0.007","90","","90","","90","","6952","3","150","","150","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C56 H49.5 N16 O18.24 Re5 -","- C56 H49.5 N16 O18.244 Re5 -","- C224 H198 N64 O72.976 Re20 -","4","0.25","","Shtemenko, Nataliia; Galiana-Rosello, Cristina; Gil-Martínez, Ariadna; Blasco, Salvador; Gonzalez-García, Jorge; Velichko, Helen; Holichenko, Oleksandr; Shtemenko, Olexandr; García-España, Enrique","Two rhenium compounds with benzimidazole ligands: synthesis and DNA interactions","RSC Advances","2024","14","28","19787","19793","10.1039/D4RA02669A","","","0.71073","MoKα","","0.0681","0.0584","","","0.1556","0.1637","","","","","","1.155","","","","has coordinates,has disorder","292496","2024-06-21","01:14:25",""
"7248910","8.9077","0.0001","9.1847","0.0001","18.1367","0.0002","90","","93.364","0.001","90","","1481.29","0.03","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-phenyl-2-(phenylamino)-6H-1,3,4-thiadiazin-3-ium","","- C15 H14 Br N3 S -","- C15 H14 Br N3 S -","- C60 H56 Br4 N12 S4 -","4","1","","Tawfeek, Hendawy N.; Abdelmoez, Alshaimaa; Dahlous, Kholood A.; Youssif, Bahaa G. M.; Bräse, Stefan; Rissanen, Kari; Nieger, Martin; El-Sheref, Essmat M.","Convenient synthesis and X-ray determination of 2-amino-6H-1,3,4-thiadiazin-3-ium bromides endowed with antiproliferative activity","RSC Advances","2024","14","25","17866","17876","10.1039/D4RA02531H","","x-ray","1.54184","CuKα","","0.0203","0.0202","","","0.0512","0.0513","","","","","","1.089","","","","has coordinates","292632","2024-06-28","01:07:53",""
"7248911","7.4414","0.0003","18.2272","0.0007","19.6573","0.0007","90","","90","","90","","2666.24","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Z)-N-(5-phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-ylidene)prop-2-en-1-aminium bromide","","- C12 H14 Br N3 S -","- C12 H14 Br N3 S -","- C96 H112 Br8 N24 S8 -","8","1","","Tawfeek, Hendawy N.; Abdelmoez, Alshaimaa; Dahlous, Kholood A.; Youssif, Bahaa G. M.; Bräse, Stefan; Rissanen, Kari; Nieger, Martin; El-Sheref, Essmat M.","Convenient synthesis and X-ray determination of 2-amino-6H-1,3,4-thiadiazin-3-ium bromides endowed with antiproliferative activity","RSC Advances","2024","14","25","17866","17876","10.1039/D4RA02531H","","","1.54178","CuKα","","0.023","0.0223","","","0.0559","0.0563","","","","","","1.05","","","","has coordinates","292632","2024-06-28","01:07:55",""
"7248912","10.3567","0.0008","12.1184","0.0009","22.4299","0.0015","91.283","0.006","95.977","0.007","110.754","0.008","2612.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H66 Br4 O10 -","- C53 H66 Br4 O10 -","- C106 H132 Br8 O20 -","2","1","","Vinodh, Mickey; Alshammari, Anwar A.; Al-Azemi, Talal F.","Influence of halogen–halogen interactions in the self-assembly of pillar[5]arene-based supramolecular polymers","RSC Advances","2024","14","29","20553","20560","10.1039/D4RA03769C","","","0.71075","MoKα","","0.1513","0.0653","","","0.1549","0.179","","","","","","0.905","","","","has coordinates","292654","2024-06-29","01:12:18",""
"7248913","10.2873","0.0003","12.1713","0.0004","22.771","0.0008","90.681","0.002","98.012","0.002","109.405","0.002","2657.77","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H66 Cl4 O10 -","- C53 H66 Cl4 O10 -","- C106 H132 Cl8 O20 -","2","1","","Vinodh, Mickey; Alshammari, Anwar A.; Al-Azemi, Talal F.","Influence of halogen–halogen interactions in the self-assembly of pillar[5]arene-based supramolecular polymers","RSC Advances","2024","14","29","20553","20560","10.1039/D4RA03769C","","","1.54178","CuKα","","0.0896","0.0717","","","0.2062","0.2235","","","","","","1.017","","","","has coordinates,has disorder","292654","2024-06-29","01:12:19",""
"7248914","15.0762","0.0013","15.0762","0.0013","39.5384","0.0015","90","","90","","90","","8986.8","1.1","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C49 H58 F2 O10 -","- C49 H58 F2 O10 -","- C392 H464 F16 O80 -","8","0.5","","Vinodh, Mickey; Alshammari, Anwar A.; Al-Azemi, Talal F.","Influence of halogen–halogen interactions in the self-assembly of pillar[5]arene-based supramolecular polymers","RSC Advances","2024","14","29","20553","20560","10.1039/D4RA03769C","","","0.71075","MoKα","","0.1069","0.0695","","","0.2023","0.2264","","","","","","1.041","","","","has coordinates","292654","2024-06-29","01:12:19",""
"7248915","10.628","0.0009","12.2335","0.0012","23.534","0.002","88.021","0.006","77.859","0.006","71.497","0.005","2835","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H128 I7 O20 -","- C104 H128 I7 O20 -","- C104 H128 I7 O20 -","1","0.5","","Vinodh, Mickey; Alshammari, Anwar A.; Al-Azemi, Talal F.","Influence of halogen–halogen interactions in the self-assembly of pillar[5]arene-based supramolecular polymers","RSC Advances","2024","14","29","20553","20560","10.1039/D4RA03769C","","","0.71075","MoKα","","0.1935","0.1199","","","0.3487","0.3985","","","","","","1.234","","","","has coordinates,has disorder","292654","2024-06-29","01:12:19",""
"7248916","4.7716","0.0001","18.2538","0.0005","16.7147","0.0004","90","","97.171","0.002","90","","1444.46","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N3 O2 -","- C15 H14 Br N3 O2 -","- C60 H56 Br4 N12 O8 -","4","1","","Kotásková, Lucie; Jewula, Pawel; Herchel, Radovan; Nemec, Ivan; Neugebauer, Petr","Photoswitchable hydrazones with pyridine-based rotors and halogen substituents","RSC Advances","2024","14","29","20856","20866","10.1039/D4RA02909G","","x-ray","1.54184","CuKα","","0.037","0.0336","","","0.0918","0.0945","","","","","","1.031","","","","has coordinates","292680","2024-07-02","01:19:51",""
"7248917","4.6839","0.0002","18.5687","0.0008","16.9966","0.0006","90","","95.506","0.004","90","","1471.44","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 I N3 O2 -","- C15 H14 I N3 O2 -","- C60 H56 I4 N12 O8 -","4","1","","Kotásková, Lucie; Jewula, Pawel; Herchel, Radovan; Nemec, Ivan; Neugebauer, Petr","Photoswitchable hydrazones with pyridine-based rotors and halogen substituents","RSC Advances","2024","14","29","20856","20866","10.1039/D4RA02909G","","x-ray","1.54184","CuKα","","0.0583","0.055","","","0.1458","0.1492","","","","","","1.04","","","","has coordinates","292680","2024-07-02","01:19:51",""
"7248918","4.6839","0.0002","18.5687","0.0008","16.9966","0.0006","90","","95.506","0.004","90","","1471.44","0.1","100","0.1","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 I N3 O2 -","- C15 H14 I N3 O2 -","- C60 H56 I4 N12 O8 -","4","1","","Kotásková, Lucie; Jewula, Pawel; Herchel, Radovan; Nemec, Ivan; Neugebauer, Petr","Photoswitchable hydrazones with pyridine-based rotors and halogen substituents","RSC Advances","2024","14","29","20856","20866","10.1039/D4RA02909G","","","1.54184","CuKα","","0.0572","0.0539","","","0.1424","0.1459","","","","","","1.012","","","","has coordinates","292680","2024-07-02","01:19:51",""
"7248919","4.7709","0.0001","18.2539","0.0005","16.7122","0.0004","90","","97.166","0.002","90","","1444.06","0.06","150","0.1","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N3 O2 -","- C15 H14 Br N3 O2 -","- C60 H56 Br4 N12 O8 -","4","1","","Kotásková, Lucie; Jewula, Pawel; Herchel, Radovan; Nemec, Ivan; Neugebauer, Petr","Photoswitchable hydrazones with pyridine-based rotors and halogen substituents","RSC Advances","2024","14","29","20856","20866","10.1039/D4RA02909G","","","1.54184","CuKα","","0.036","0.0321","","","0.0842","0.0868","","","","","","1.0296","","","","has coordinates","292680","2024-07-02","01:19:51",""
"7248920","14.3674","0.001","10.3669","0.0007","10.6054","0.0006","90","","103.165","0.007","90","","1538.11","0.18","121.6","0.5","121.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-7-(diethylamino)-2H-chromen-2-one","Compound 11","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C64 H68 N20 O8 -","4","1","","Castro, Geraldyne; Romero-Ávila, Margarita; Farfán, Norberto; Arcos-Ramos, Rafael; Maldonado-Domínguez, Mauricio","Heterocycles as supramolecular handles for crystal engineering: a case study with 7-(diethylamino)coumarin derivatives","RSC Advances","2024","14","29","20824","20836","10.1039/D4RA03656E","","","0.71073","MoKα","","0.0563","0.0422","","","0.1308","0.1474","","","","","","1.0953","","","","has coordinates","292681","2024-07-02","01:20:20",""
"7248928","5.0188","0.0006","13.9106","0.0015","25.986","0.003","90","","90","","90","","1814.2","0.4","100","2","100","2","","","","","","","synthesized by authors","4","P 21 21 21","P 2ac 2ab","19","","(E)-4-Styryl-2-(4-(trifluoromethyl)phenyl)quinazoline","","- C23 H15 F3 N2 -","- C23 H15 F3 N2 -","- C92 H60 F12 N8 -","4","1","","Rodríguez, Diego Fernando; Lipez, Kelly Johanna; Stashenko, Elena; Díaz, Iván; Cobo, Justo; Palma, Alirio","Alternative and efficient one-pot three-component synthesis of substituted 2-aryl-4-styrylquinazolines/4-styrylquinazolines from synthetically available 1-(2-aminophenyl)-3-arylprop-2-en-1-ones: characterization and evaluation of their antiproliferative activities","RSC Advances","2024","14","29","20951","20965","10.1039/D4RA03702B","","","0.71073","MoKα","","0.1055","0.0865","","","0.1869","0.1951","","","","","","1.189","","","","has coordinates","292697","2024-07-03","01:10:22",""
"7248929","13.1299","0.0008","13.2052","0.0009","7.7725","0.0004","90","","95.083","0.002","90","","1342.32","0.14","100","2","100","2","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","(E)â\/E?4â\/E?(4â\/E?(Trifluoromethyl)styryl)quinazoline","","- C17 H11 F3 N2 -","- C17 H11 F3 N2 -","- C68 H44 F12 N8 -","4","1","","Rodríguez, Diego Fernando; Lipez, Kelly Johanna; Stashenko, Elena; Díaz, Iván; Cobo, Justo; Palma, Alirio","Alternative and efficient one-pot three-component synthesis of substituted 2-aryl-4-styrylquinazolines/4-styrylquinazolines from synthetically available 1-(2-aminophenyl)-3-arylprop-2-en-1-ones: characterization and evaluation of their antiproliferative activities","RSC Advances","2024","14","29","20951","20965","10.1039/D4RA03702B","","","0.71073","MoKα","","0.0802","0.0551","","","0.1173","0.1316","","","","","","1.079","","","","has coordinates","292697","2024-07-03","01:10:23",""
"7248930","24.6763","0.0013","3.9753","0.0002","13.3702","0.0007","90","","90","","90","","1311.56","0.12","100","2","100","2","","","","","","","Synthetic","4","P c a 21","P 2c -2ac","29","","(E)–4–(4–Methoxystyryl)quinazoline","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Rodríguez, Diego Fernando; Lipez, Kelly Johanna; Stashenko, Elena; Díaz, Iván; Cobo, Justo; Palma, Alirio","Alternative and efficient one-pot three-component synthesis of substituted 2-aryl-4-styrylquinazolines/4-styrylquinazolines from synthetically available 1-(2-aminophenyl)-3-arylprop-2-en-1-ones: characterization and evaluation of their antiproliferative activities","RSC Advances","2024","14","29","20951","20965","10.1039/D4RA03702B","","","0.71073","MoKα","","0.0357","0.0314","","","0.0716","0.0741","","","","","","1.045","","","","has coordinates","292697","2024-07-03","01:10:23",""
"7248945","4.7711","0.0006","13.43","0.005","19.544","0.002","90","","94.722","0.01","90","","1248","0.5","216","50","216","50","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13.75 H10.75 N O4 -","- C13.75 H10.75 N O4 -","- C55 H43 N4 O16 -","4","1","","Kumar, Sachin; Lal, Bajrang; Singh, Gurleen; Muskan,; Tittal, Ram Kumar; Singh, Jandeep; Vikas D., Ghule; Sharma, Renu","5-Aminoisophthalate-based kojic acid-appended bis-1,2,3-triazole: a fluorescent chemosensor for Cu2+ sensing and in silico study","RSC Advances","2024","14","29","20908","20922","10.1039/D4RA02372B","","x-ray","0.71073","MoKα","","0.0734","0.0567","","","0.1628","0.1805","","","","","","1.077","","","","has coordinates","292725","2024-07-04","01:21:08",""
"7248978","9.1191","0.0003","12.1448","0.0007","12.1551","0.0006","76.174","0.004","80.698","0.003","87.947","0.003","1289.97","0.11","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H36 O8 S Si -","- C23 H36 O8 S Si -","- C46 H72 O16 S2 Si2 -","2","1","","Yu, Fangzhou; Xu, Liang","A concise and stereoselective synthesis of the BCDF tetracyclic ring system of C19-diterpenoid alkaloids","RSC Advances","2024","14","29","21102","21106","10.1039/D4RA02821J","","x-ray","0.71073","MoKα","","0.1343","0.0922","","","0.2675","0.3068","","","","","","1.058","","","","has coordinates","292746","2024-07-05","01:16:01",""
"7248979","13.342","0.0009","8.2734","0.0006","11.9648","0.0008","90","","90","","90","","1320.72","0.16","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H13 Cl4 Ga N3 P -","- C6 H13 Cl4 Ga N3 P -","- C24 H52 Cl16 Ga4 N12 P4 -","4","0.5","","Guerriero, Antonella; Ienco, Andrea; Hicks, Thomas; Cilibrizzi, Agostino","Beyond transition block metals: exploring the reactivity of phosphine PTA and its oxide [PTA(O)] towards gallium(iii)","RSC Advances","2024","14","29","21139","21150","10.1039/D4RA02877E","","","1.54178","CuKα","","0.0251","0.0229","","","0.06","0.0603","","","","","","1.102","","","","has coordinates","292747","2024-07-05","01:16:26",""
"7248980","13.7699","0.001","8.1328","0.0006","12.1428","0.0009","90","","90","","90","","1359.85","0.17","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H13 Cl4 Ga N3 O P -","- C6 H13 Cl4 Ga N3 O P -","- C24 H52 Cl16 Ga4 N12 O4 P4 -","4","0.5","","Guerriero, Antonella; Ienco, Andrea; Hicks, Thomas; Cilibrizzi, Agostino","Beyond transition block metals: exploring the reactivity of phosphine PTA and its oxide [PTA(O)] towards gallium(iii)","RSC Advances","2024","14","29","21139","21150","10.1039/D4RA02877E","","","1.54178","CuKα","","0.0424","0.0409","","","0.1108","0.1113","","","","","","1.077","","","","has coordinates","292747","2024-07-05","01:16:27",""
"7248981","7.8486","0.0003","9.6385","0.0003","12.779","0.0004","90","","91.652","0.001","90","","966.31","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 I N3 O P -","- C6 H13 I N3 O P -","- C24 H52 I4 N12 O4 P4 -","4","1","","Guerriero, Antonella; Ienco, Andrea; Hicks, Thomas; Cilibrizzi, Agostino","Beyond transition block metals: exploring the reactivity of phosphine PTA and its oxide [PTA(O)] towards gallium(iii)","RSC Advances","2024","14","29","21139","21150","10.1039/D4RA02877E","","","0.71073","MoKα","","0.0205","0.0159","","","0.0319","0.0334","","","","","","1.039","","","","has coordinates","292747","2024-07-05","01:16:27",""
"7249044","12.3661","0.0006","7.7969","0.0004","7.2005","0.0003","90","","92.93","0.004","90","","693.34","0.06","294","1","294","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H N -","- C1.8 H1.8 -","- C36 H36 -","20","5","","Britto, Kashpar John; Meenakshi, Maniarasu; Srinivasan, Kannupal","Synthesis of 1-aryl-2,3-diaroyl cyclopropanes from 1,3,5-triaryl-1,5-diketones and their transformation into E,E-1,4-diaryl-1,3-butadienes","RSC Advances","2024","14","31","22076","22085","10.1039/D4RA02525C","","x-ray","0.71073","MoKα","","0.0808","0.0539","","","0.1482","0.1719","","","","","","1.055","","","","has coordinates","293403","2024-07-13","01:15:44",""
"7249045","7.7597","0.0005","9.1203","0.0005","12.5054","0.0007","102.924","0.004","97.329","0.004","97.611","0.005","843.6","0.09","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Br4 N8 O2 Pb2 -","- C30 H24 Br4 N8 O2 Pb2 -","- C30 H24 Br4 N8 O2 Pb2 -","1","0.5","","Arkak, Akbar; Sadr, Moayad Hossaini; Janghouri, Mohammad; Marandi, Farzin; Fuhrmann, Daniel","1,2,4-triazine derived binuclear lead(ii) complexes: synthesis, spectroscopic and structural investigations and application in organic light-emitting diodes (OLEDs)","RSC Advances","2024","14","30","22006","22016","10.1039/D4RA03383C","","x-ray","0.71073","MoKα","","0.0435","0.0363","","","0.0988","0.1016","","","","","","1.011","","","","has coordinates","293404","2024-07-13","01:15:59",""
"7249046","9.7327","0.0006","10.2844","0.0006","10.5326","0.0007","81.463","0.005","68.068","0.005","86.765","0.005","967.13","0.11","200","2","200","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 N10 O6 Pb2 S2 -","- C36 H30 N10 O6 Pb2 S2 -","- C36 H30 N10 O6 Pb2 S2 -","1","0.5","","Arkak, Akbar; Sadr, Moayad Hossaini; Janghouri, Mohammad; Marandi, Farzin; Fuhrmann, Daniel","1,2,4-triazine derived binuclear lead(ii) complexes: synthesis, spectroscopic and structural investigations and application in organic light-emitting diodes (OLEDs)","RSC Advances","2024","14","30","22006","22016","10.1039/D4RA03383C","","x-ray","0.71073","MoKα","","0.0348","0.0254","","","0.0556","0.0572","","","","","","0.984","","","","has coordinates","293404","2024-07-13","01:15:59",""
"7249048","10.2911","0.0012","10.3975","0.0013","16.635","0.002","94.274","0.004","93.026","0.004","110.473","0.003","1657","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","8d","3,6-Dibromo-2-(4-methoxyphenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5(8H)-one","","- C17 H17 Br2 N3 O2 -","- C17 H17 Br2 N3 O2 -","- C68 H68 Br8 N12 O8 -","4","2","","Camargo, Delascar; Cifuentes, Carlos; Castillo, Juan-Carlos; Portilla, Jaime","Microwave-assisted synthesis and functionalization of 2-arylimidazo[1,2-a]pyrimidin-5(8H)-ones","RSC Advances","2024","14","31","22368","22373","10.1039/D4RA03948C","","","0.71073","MoKα","","0.1028","0.0761","","","0.209","0.2279","","","","","","1.104","","","","has coordinates","293420","2024-07-16","01:10:07",""
"7249049","9.632","0.0002","18.7983","0.0004","19.1207","0.0004","90","","102.451","0.0008","90","","3380.67","0.12","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Butan-1-aminium, N,N,N-tributyl, (TB-5-11)-difluoro(4-methoxyphenyl)diphenylsilicate(1-)","Tetrabutylammonium difluoro(4-methoxyphenyl)diphenylsilicate","","- C35 H53 F2 N O Si -","- C35 H53 F2 N O Si -","- C140 H212 F8 N4 O4 Si4 -","4","1","","Trojan, Michal; Hroch, Adam; Gruden, Evelin; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav","Modified aryldifluorophenylsilicates with improved activity and selectivity in nucleophilic fluorination of secondary substrates","RSC Advances","2024","14","31","22326","22334","10.1039/D4RA04332D","","","1.54178","CuKα","","0.0425","0.0393","","0.1119","0.109","0.1119","","","","","","0.9995","","","","has coordinates","293421","2024-07-16","01:10:52",""
"7249050","9.6166","0.0003","16.7413","0.0005","20.8563","0.0006","90","","90.7602","0.0011","90","","3357.45","0.17","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Butan-1-aminium, N,N,N-tributyl, (TB-5-11)-difluorodiphenyl[(4-trifluoromethyl)phenyl]silicate(1-)","Tetrabutylammonium difluorodiphenyl[(4-trifluoromethyl)phenyl]silicate","","- C35 H50 F5 N Si -","- C35 H50 F5 N Si -","- C140 H200 F20 N4 Si4 -","4","1","","Trojan, Michal; Hroch, Adam; Gruden, Evelin; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav","Modified aryldifluorophenylsilicates with improved activity and selectivity in nucleophilic fluorination of secondary substrates","RSC Advances","2024","14","31","22326","22334","10.1039/D4RA04332D","","","0.71073","MoKα","","0.0617","0.0458","","0.1229","0.0973","0.1194","","","","","","1","","","","has coordinates","293421","2024-07-16","01:10:54",""
"7249051","9.4251","0.0003","20.4233","0.0007","18.7305","0.0006","90","","103.315","0.0017","90","","3508.6","0.2","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Butan-1-aminium, N,N,N-tributyl, (TB-5-11)-difluorobis(4-methoxyphenyl)phenylsilicate(1-)","Tetrabutylammonium difluorobis(4-methoxyphenyl)phenylsilicate","","- C36 H55 F2 N O2 Si -","- C36 H55 F2 N O2 Si -","- C144 H220 F8 N4 O8 Si4 -","4","1","","Trojan, Michal; Hroch, Adam; Gruden, Evelin; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav","Modified aryldifluorophenylsilicates with improved activity and selectivity in nucleophilic fluorination of secondary substrates","RSC Advances","2024","14","31","22326","22334","10.1039/D4RA04332D","","","1.54178","CuKα","","0.0915","0.08","","0.2311","0.2223","0.2311","","","","","","1.0002","","","","has coordinates","293421","2024-07-16","01:11:03",""
"7249070","14.941","0.002","30.117","0.005","8.434","0.0013","90","","102.447","0.004","90","","3705.9","1","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.158 H1.965 Cl0.281 N0.281 O0.07 -","- C3.15789 H1.96491 Cl0.280702 N0.280702 O0.0701754 -","- C180 H112 Cl16 N16 O4 -","57","14.25","","Li, Tian-Miao; Hu, Li-Yuan; Zou, Xin; Wang, Jun-Yi; Ni, Sheng; Liu, Lei; Xiao, Xunwen; Luo, Xu-Feng","Hybridization of short-range and long-range charge transfer boosts room-temperature phosphorescence performance","RSC Advances","2024","14","31","22763","22768","10.1039/D4RA03283G","","","0.71073","MoKα","","0.1401","0.0669","","","0.1505","0.1968","","","","","","1.1164","","","","has coordinates","293468","2024-07-19","01:15:50",""
"7249071","8.565","0.003","15.216","0.006","30.113","0.011","90","","90","","103.425","0.009","3817","2","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2.847 H1.424 Br0.271 N0.203 -","- C2.84746 H1.42373 Br0.271186 N0.20339 -","- C168 H84 Br16 N12 -","59","29.5","","Li, Tian-Miao; Hu, Li-Yuan; Zou, Xin; Wang, Jun-Yi; Ni, Sheng; Liu, Lei; Xiao, Xunwen; Luo, Xu-Feng","Hybridization of short-range and long-range charge transfer boosts room-temperature phosphorescence performance","RSC Advances","2024","14","31","22763","22768","10.1039/D4RA03283G","","","0.71073","MoKα","","0.3125","0.0795","","","0.123","0.2066","","","","","","0.9919","","","","has coordinates","293468","2024-07-19","01:15:53",""
"7249072","6.0338","0.0001","7.3549","0.0002","20.9236","0.0005","85.352","0.002","88.35","0.002","73.647","0.002","888.04","0.04","126","","126","","","","","","","","","5","P -1","-P 1","2","","ANC-5","","- C21 H19 F N6 O -","- C21 H19 F N6 O -","- C42 H38 F2 N12 O2 -","2","1","","Khetmalis, Yogesh Mahadu; Shobha, Singarapalle; Nandikolla, Adinarayana; Chandu, Ala; Murugesan, Sankaranarayanan; Kumar, Muthyala Murali Krishna; Chandra Sekhar, Kondapalli Venkata Gowri","Design, synthesis, and anti-mycobacterial evaluation of 1,8-naphthyridine-3-carbonitrile analogues","RSC Advances","2024","14","31","22676","22689","10.1039/D4RA04262J","","x-ray","1.54184","CuKα","","0.0496","0.0461","","","0.1299","0.1328","","","","","","1.093","","","","has coordinates","293469","2024-07-19","01:16:13",""
"7249083","6.845","0.0007","7.2531","0.0008","15.6037","0.0017","95.832","0.003","98.967","0.003","108.964","0.003","714","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.14 H2.29 N0.29 O0.71 -","- C2.14286 H2.28571 N0.285714 O0.714286 -","- C30 H32 N4 O10 -","14","7","","Kumar, Ram; Singh, Bholey; Gahlyan, Parveen; Verma, Abhishek; Bhandari, Mamta; Kakkar, Rita; Pani, Balaram","An innovative Schiff-base colorimetric chemosensor for the selective detection of Cu2+ ions and its applications","RSC Advances","2024","14","32","23083","23094","10.1039/D4RA03097D","","","0.71073","MoKα","","0.0915","0.0746","","","0.1625","0.1762","","","","","","1.089","","","","has coordinates","293504","2024-07-23","01:13:09",""
"7249131","15.6222","0.0001","11.8985","0.0001","19.7101","0.0001","90","","105.198","0.001","90","","3535.59","0.04","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C47 H36 N2 O2 S2 -","- C47 H36 N2 O2 S2 -","- C188 H144 N8 O8 S8 -","4","0.5","","Younes, Eyad A.; AL-Snaid, Amneh M.; Abu-Safieh, Kayed A.; Salami, Fatemeh; Aljaar, Nayyef; Zhao, Yuming","Synthesis and characterization of 2-(anthracene-9-yl)-4,5-diphenyl-1H-imidazole derivatives as environmentally sensitive fluorophores","RSC Advances","2024","14","32","23511","23519","10.1039/D4RA03735A","","x-ray","1.54184","CuKα","","0.0393","0.0386","","","0.0956","0.096","","","","","","1.04","","","","has coordinates,has disorder","293578","2024-07-28","01:15:13",""
"7249132","15.5732","0.0003","11.1891","0.0003","28.367","0.0006","90","","90","","90","","4942.95","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H20 Br2 N2 -","- C30 H20 Br2 N2 -","- C240 H160 Br16 N16 -","8","2","","Younes, Eyad A.; AL-Snaid, Amneh M.; Abu-Safieh, Kayed A.; Salami, Fatemeh; Aljaar, Nayyef; Zhao, Yuming","Synthesis and characterization of 2-(anthracene-9-yl)-4,5-diphenyl-1H-imidazole derivatives as environmentally sensitive fluorophores","RSC Advances","2024","14","32","23511","23519","10.1039/D4RA03735A","","x-ray","1.54184","CuKα","","0.0548","0.0471","","","0.129","0.1448","","","","","","1.093","","","","has coordinates","293578","2024-07-28","01:15:14",""
"7249133","11.5722","0.0001","13.9231","0.0002","24.5599","0.0003","91.477","0.001","94.074","0.001","99.887","0.001","3885.59","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H28 N2 S2 -","- C45 H28 N2 S2 -","- C180 H112 N8 S8 -","4","2","","Younes, Eyad A.; AL-Snaid, Amneh M.; Abu-Safieh, Kayed A.; Salami, Fatemeh; Aljaar, Nayyef; Zhao, Yuming","Synthesis and characterization of 2-(anthracene-9-yl)-4,5-diphenyl-1H-imidazole derivatives as environmentally sensitive fluorophores","RSC Advances","2024","14","32","23511","23519","10.1039/D4RA03735A","","x-ray","1.54184","CuKα","","0.0481","0.0432","","","0.1043","0.107","","","","","","1.065","","","","has coordinates","293578","2024-07-28","01:15:14",""
"7249134","14.3775","0.0001","15.7779","0.0002","23.0024","0.0002","84.715","0.001","78.893","0.001","72.816","0.001","4888.27","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.9 H19.4 Br2 Cl0.2 N2.4 -","- C29.902 H19.402 Br2 Cl0.196 N2.402 -","- C239.216 H155.216 Br16 Cl1.568 N19.216 -","8","4","","Younes, Eyad A.; AL-Snaid, Amneh M.; Abu-Safieh, Kayed A.; Salami, Fatemeh; Aljaar, Nayyef; Zhao, Yuming","Synthesis and characterization of 2-(anthracene-9-yl)-4,5-diphenyl-1H-imidazole derivatives as environmentally sensitive fluorophores","RSC Advances","2024","14","32","23511","23519","10.1039/D4RA03735A","","x-ray","1.54184","CuKα","","0.0536","0.0455","","","0.1087","0.1139","","","","","","1.055","","","","has coordinates,has disorder","293578","2024-07-28","01:15:14",""
"7249161","7.621","0.0014","10.7471","0.0018","24.768","0.004","90","","90","","90","","2028.6","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[RuCl(p-cymene)(1-ClPh-3-Pyridiltriazenide)]","","- C21 H22 Cl2 N4 Ru -","- C21 H22 Cl2 N4 Ru -","- C84 H88 Cl8 N16 Ru4 -","4","1","","Romero-Soto, Christian A.; Iglesias, Ana L.; Velázquez-Ham, Amor F.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Gomez-Lopez, Jessica L.; Chávez, Daniel; Ochoa-Terán, Adrián; Aguirre, Gerardo; Rheingold, Arnold L.; Grotjahn, Douglas B.; Parra-Hake, Miguel; Miranda-Soto, Valentín","Ruthenium complexes with triazenide ligands bearing an N-heterocyclic moiety, and their catalytic properties in the reduction of nitroarenes","RSC Advances","2024","14","33","24019","24030","10.1039/D4RA04813J","","","0.71073","MoKα","","0.0409","0.0329","","","0.0578","0.0601","","","","","","1.037","","","","has coordinates","293615","2024-08-01","01:25:49",""
"7249162","7.9615","0.0001","11.8552","0.0001","25.7291","0.0002","90","","90","","90","","2428.45","0.04","293.4","0.3","293.4","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","RuCl-triazenide-Quinoline","[RuCl(1-ClPh-3-quinolinetriazenide)(p-cymene)]","","- C25 H24 Cl2 N4 Ru -","- C25 H24 Cl2 N4 Ru -","- C100 H96 Cl8 N16 Ru4 -","4","1","","Romero-Soto, Christian A.; Iglesias, Ana L.; Velázquez-Ham, Amor F.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Gomez-Lopez, Jessica L.; Chávez, Daniel; Ochoa-Terán, Adrián; Aguirre, Gerardo; Rheingold, Arnold L.; Grotjahn, Douglas B.; Parra-Hake, Miguel; Miranda-Soto, Valentín","Ruthenium complexes with triazenide ligands bearing an N-heterocyclic moiety, and their catalytic properties in the reduction of nitroarenes","RSC Advances","2024","14","33","24019","24030","10.1039/D4RA04813J","","x-ray","1.54184","CuKα","","0.0321","0.0309","","","0.0779","0.0787","","","","","","1.043","","","","has coordinates","293615","2024-08-01","01:25:51",""
"7249163","20.5077","0.0012","7.6529","0.0003","26.1253","0.0017","90","","90","","90","","4100.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 Cl2 N4 Ru -","- C21 H22 Cl2 N4 Ru -","- C168 H176 Cl16 N32 Ru8 -","8","1","","Romero-Soto, Christian A.; Iglesias, Ana L.; Velázquez-Ham, Amor F.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Gomez-Lopez, Jessica L.; Chávez, Daniel; Ochoa-Terán, Adrián; Aguirre, Gerardo; Rheingold, Arnold L.; Grotjahn, Douglas B.; Parra-Hake, Miguel; Miranda-Soto, Valentín","Ruthenium complexes with triazenide ligands bearing an N-heterocyclic moiety, and their catalytic properties in the reduction of nitroarenes","RSC Advances","2024","14","33","24019","24030","10.1039/D4RA04813J","","x-ray","0.71073","MoKα","","0.0693","0.0425","","","0.0769","0.0847","","","","","","1.077","","","","has coordinates","293615","2024-08-01","01:25:52",""
"7249164","12.9896","0.0004","13.2753","0.0004","14.0569","0.0004","90","0.003","116.179","0.003","90","0.003","2175.33","0.13","293.1","1","293.1","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","RuCl-ImidazoleTriazenide","[RuCl(1-MePh-3-imidazoletriazenide)(p-cymene)]","","- C21 H26 Cl N5 Ru -","- C21 H26 Cl N5 Ru -","- C84 H104 Cl4 N20 Ru4 -","4","1","","Romero-Soto, Christian A.; Iglesias, Ana L.; Velázquez-Ham, Amor F.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Gomez-Lopez, Jessica L.; Chávez, Daniel; Ochoa-Terán, Adrián; Aguirre, Gerardo; Rheingold, Arnold L.; Grotjahn, Douglas B.; Parra-Hake, Miguel; Miranda-Soto, Valentín","Ruthenium complexes with triazenide ligands bearing an N-heterocyclic moiety, and their catalytic properties in the reduction of nitroarenes","RSC Advances","2024","14","33","24019","24030","10.1039/D4RA04813J","","x-ray","0.71073","MoKα","","0.0393","0.029","","","0.0644","0.0691","","","","","","1.066","","","","has coordinates","293615","2024-08-01","01:25:52",""
"7249165","9.8885","0.0008","14.1476","0.0011","17.6592","0.0011","102.034","0.006","100.332","0.007","94.941","0.007","2357.4","0.3","294.7","0.7","294.7","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Cl2 N4 Ru -","- C25 H24 Cl2 N4 Ru -","- C100 H96 Cl8 N16 Ru4 -","4","2","","Romero-Soto, Christian A.; Iglesias, Ana L.; Velázquez-Ham, Amor F.; Camarena-Díaz, Juan P.; Correa-Ayala, Erick; Gomez-Lopez, Jessica L.; Chávez, Daniel; Ochoa-Terán, Adrián; Aguirre, Gerardo; Rheingold, Arnold L.; Grotjahn, Douglas B.; Parra-Hake, Miguel; Miranda-Soto, Valentín","Ruthenium complexes with triazenide ligands bearing an N-heterocyclic moiety, and their catalytic properties in the reduction of nitroarenes","RSC Advances","2024","14","33","24019","24030","10.1039/D4RA04813J","","x-ray","0.71073","MoKα","","0.1921","0.0923","","","0.1928","0.2474","","","","","","1.022","","","","has coordinates","293615","2024-08-01","01:25:52",""
"7249166","6.54533","0.00013","29.5464","0.0005","7.4552","0.0002","90","","101.691","0.002","90","","1411.86","0.05","294.1","0.4","294.1","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-chlorophenyl)-5-(p-tolyl)-6H-1,2-oxazin-6-one","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C68 H48 Cl4 N4 O8 -","4","1","","Alcántar-Zavala, Eleazar; Delgado-Vargas, Francisco; Marín-González, Fabricio; Angulo, Gabriela López; Aguirre-Madrigal, Hugo Enrique; Ochoa-Terán, Adrián; Rodríguez-Vega, Gibrán; Aguirre-Hernández, Gerardo; Montes-Avila, Julio","Design, synthesis, and exploration of antibacterial activity of 6<i>H</i>-1,2-oxazin-6-ones.","RSC advances","2024","14","33","23828","23839","10.1039/d4ra04220d","","x-ray","1.54184","CuKα","","0.0554","0.0451","","","0.1197","0.1273","","","","","","1.036","","","","has coordinates","293616","2024-08-01","01:26:15",""
"7249167","5.0224","0.0007","13.54","0.002","21.561","0.003","90","","90","","90","","1466.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-methoxyphenyl)-5-(p-tolyl)-6H-1,2-oxazin-6-one","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Alcántar-Zavala, Eleazar; Delgado-Vargas, Francisco; Marín-González, Fabricio; Angulo, Gabriela López; Aguirre-Madrigal, Hugo Enrique; Ochoa-Terán, Adrián; Rodríguez-Vega, Gibrán; Aguirre-Hernández, Gerardo; Montes-Avila, Julio","Design, synthesis, and exploration of antibacterial activity of 6<i>H</i>-1,2-oxazin-6-ones.","RSC advances","2024","14","33","23828","23839","10.1039/d4ra04220d","","x-ray","0.71073","MoKα","","0.1102","0.0566","","","0.1212","0.1471","","","","","","1.049","","","","has coordinates","293616","2024-08-01","01:26:16",""
"7249168","11.438","0.012","25.58","0.03","4.893","0.005","90","","90","","90","","1432","3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H12 Br2 N2 -","- C15 H12 Br2 N2 -","- C60 H48 Br8 N8 -","4","0.5","","Wang, Zhongjie; He, Yu; Wang, Fang; Wang, Yan; Luo, Hui; Wu, Jianglong; Yang, Jinhui","Green and efficient synthesis of dibenzyl cyanamides and ureas with cyanamide as a block.","RSC advances","2024","14","33","23693","23698","10.1039/d4ra04286g","","","0.71073","MoKα","","0.0547","0.0298","","","0.0569","0.0626","","","","","","1.068","","","","has coordinates","293617","2024-08-01","01:26:49",""
"7249169","9.0138","0.0008","13.9046","0.0014","11.9428","0.0013","90","","100.927","0.002","90","","1469.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N4 O4 -","- C15 H12 N4 O4 -","- C60 H48 N16 O16 -","4","1","","Wang, Zhongjie; He, Yu; Wang, Fang; Wang, Yan; Luo, Hui; Wu, Jianglong; Yang, Jinhui","Green and efficient synthesis of dibenzyl cyanamides and ureas with cyanamide as a block.","RSC advances","2024","14","33","23693","23698","10.1039/d4ra04286g","","","0.71073","MoKα","","0.1639","0.0638","","","0.1276","0.1693","","","","","","0.991","","","","has coordinates","293617","2024-08-01","01:26:49",""
"7249170","11.6329","0.0006","7.7767","0.0005","29.3752","0.0018","90","","90","","90","","2657.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 F2 N2 O -","- C15 H14 F2 N2 O -","- C120 H112 F16 N16 O8 -","8","1","","Wang, Zhongjie; He, Yu; Wang, Fang; Wang, Yan; Luo, Hui; Wu, Jianglong; Yang, Jinhui","Green and efficient synthesis of dibenzyl cyanamides and ureas with cyanamide as a block.","RSC advances","2024","14","33","23693","23698","10.1039/d4ra04286g","","","0.71073","MoKα","","0.0759","0.0508","","","0.109","0.1202","","","","","","1.033","","","","has coordinates","293617","2024-08-01","01:26:50",""
"7249178","9.7669","0.0005","10.7587","0.0008","18.6574","0.0014","90","","90","","90","","1960.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C100 H76 N12 O8 -","4","1","","Nguyen, Nguyen Tran; Dai, Vo Viet; Mechler, Adam; Van Meervelt, Luc; Hoa, Nguyen Thi; Vo, Quan V.","Synthesis and computational evaluation of the antioxidant activity of pyrrolo[2,3-b]quinoxaline derivatives","RSC Advances","2024","14","34","24438","24446","10.1039/D4RA03108C","","x-ray","0.71073","MoKα","","0.0682","0.0474","","","0.0942","0.1066","","","","","","1.073","","","","has coordinates","293963","2024-08-06","01:20:10",""
"7249183","11.3518","0.0003","15.4233","0.0004","26.8182","0.0006","89.06","0.002","85.478","0.002","89.87","0.002","4680.1","0.2","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H120.13 Cl3 Fe3 O3 P3 Rh3 -","- C108 H120.132 Cl3 Fe3 O3 P3 Rh3 -","- C216 H240.264 Cl6 Fe6 O6 P6 Rh6 -","2","1","","Straube, Axel; Coburger, Peter; Hey-Hawkins, Evamarie","Homotrinuclear ruthenium(ii) and rhodium(i) complexes of redox-active tris(ferrocenyl)arene-based tris-phosphanes.","RSC advances","2024","14","34","24652","24660","10.1039/d4ra03822c","","","0.71073","MoKα","","0.0938","0.0588","","","0.1057","0.118","","","","","","1.05","","","","has coordinates,has disorder","294049","2024-08-08","01:15:42",""
"7249184","18.2645","0.0005","9.2078","0.0002","9.6666","0.0002","90","","90","","90","","1625.69","0.07","295","","295","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C80 H80 O12 -","4","1","","Sayad, Rayene; Bouzina, Abdeslem; Bouone, Yousra Ouafa; Beldjezzia, Dounia; Djemel, Abdelhak; Ibrahim-Ouali, Malika; Aouf, Nour-Eddine; Aouf, Zineb","Zinc acetate-catalyzed, green and efficient synthesis of xanthene derivatives under ultrasound irradiation: X-ray crystallographic analysis and <i>in silico</i> study.","RSC advances","2024","14","34","24585","24603","10.1039/d4ra04135f","","x-ray","1.54184","CuKα","","0.0555","0.0424","","","0.101","0.1106","","","","","","1.045","","","","has coordinates","294050","2024-08-08","01:16:05",""
"7249194","14.9621","0.0017","17.7063","0.0018","18.5333","0.0012","75.538","0.008","89.907","0.008","73.826","0.01","4554","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C228 H168 N24 O12 -","12","6","","Hurtado-Rodríguez, Diana; Becerra, Diana; Rojas, Hugo; Gómez Castaño, Jovanny A.; Macías, Mario A.; Castillo, Juan-Carlos","Crystal structure, spectroscopy, DFT, and thermal studies of 3-cyano-2(1H)-pyridones as potential anticancer agents","RSC Advances","2024","14","34","24928","24941","10.1039/D4RA04563G","","","1.54184","CuKα","","0.1519","0.087","","","0.2297","0.3109","","","","","","0.999","","","","has coordinates","294089","2024-08-13","01:17:33",""
"7249195","18.7005","0.0014","14.5206","0.0012","34.471","0.002","90","","104.606","0.008","90","","9057.8","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br N2 O -","- C18 H11 Br N2 O -","- C432 H264 Br24 N48 O24 -","24","6","","Hurtado-Rodríguez, Diana; Becerra, Diana; Rojas, Hugo; Gómez Castaño, Jovanny A.; Macías, Mario A.; Castillo, Juan-Carlos","Crystal structure, spectroscopy, DFT, and thermal studies of 3-cyano-2(1H)-pyridones as potential anticancer agents","RSC Advances","2024","14","34","24928","24941","10.1039/D4RA04563G","","","1.54184","CuKα","","0.1406","0.1039","","","0.3029","0.3747","","","","","","1.06","","","","has coordinates,has disorder","294089","2024-08-13","01:17:36",""
"7249196","14.4943","0.0009","17.848","0.0009","18.7119","0.0008","106.539","0.004","90.018","0.005","105.413","0.005","4458.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 Cl N2 O -","- C18 H11 Cl N2 O -","- C216 H132 Cl12 N24 O12 -","12","6","","Hurtado-Rodríguez, Diana; Becerra, Diana; Rojas, Hugo; Gómez Castaño, Jovanny A.; Macías, Mario A.; Castillo, Juan-Carlos","Crystal structure, spectroscopy, DFT, and thermal studies of 3-cyano-2(1H)-pyridones as potential anticancer agents","RSC Advances","2024","14","34","24928","24941","10.1039/D4RA04563G","","","1.54184","CuKα","","0.1017","0.0758","","","0.2062","0.2367","","","","","","1.024","","","","has coordinates,has disorder","294089","2024-08-13","01:17:37",""
"7249197","4.8146","0.0004","20.525","0.002","21.556","0.003","90","","90.453","0.005","90","","2130.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 O2 S2 -","- C28 H20 O2 S2 -","- C112 H80 O8 S8 -","4","1","","Adusei, Emmanuel B. A.; Casetti, Vincent T.; Goldsmith, Calvin D.; Caswell, Madison; Alinj, Drecila; Park, Jimin; Zeller, Matthias; Rusakov, Alexander A.; Kinney, Zacharias J.","Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores","RSC Advances","2024","14","35","25120","25129","10.1039/D4RA04850D","","","0.71073","MoKα","","0.075","0.0425","","","0.0954","0.1081","","","","","","1.028","","","","has coordinates,has disorder","294091","2024-08-13","01:18:29",""
"7249198","13.7285","0.0009","7.9848","0.0005","21.6165","0.0014","90","","100.332","0.003","90","","2331.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 O2 S2 -","- C30 H24 O2 S2 -","- C120 H96 O8 S8 -","4","1","","Adusei, Emmanuel B. A.; Casetti, Vincent T.; Goldsmith, Calvin D.; Caswell, Madison; Alinj, Drecila; Park, Jimin; Zeller, Matthias; Rusakov, Alexander A.; Kinney, Zacharias J.","Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores","RSC Advances","2024","14","35","25120","25129","10.1039/D4RA04850D","","","0.71073","MoKα","","0.0719","0.0444","","","0.1049","0.12","","","","","","1.024","","","","has coordinates","294091","2024-08-13","01:18:30",""
"7249199","8.7673","0.0007","6.2302","0.0004","25.9473","0.0019","90","","93.533","0.003","90","","1414.6","0.18","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H32 O5 S2 -","- C34 H32 O5 S2 -","- C68 H64 O10 S4 -","2","1","","Adusei, Emmanuel B. A.; Casetti, Vincent T.; Goldsmith, Calvin D.; Caswell, Madison; Alinj, Drecila; Park, Jimin; Zeller, Matthias; Rusakov, Alexander A.; Kinney, Zacharias J.","Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores","RSC Advances","2024","14","35","25120","25129","10.1039/D4RA04850D","","","0.71073","MoKα","","0.0333","0.0312","","","0.0858","0.0871","","","","","","1.049","","","","has coordinates","294091","2024-08-13","01:18:31",""
"7249200","17.861","0.005","8.2438","0.0016","18.565","0.004","90","","111.359","0.007","90","","2545.8","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 F6 O2 S2 -","- C30 H18 F6 O2 S2 -","- C120 H72 F24 O8 S8 -","4","1","","Adusei, Emmanuel B. A.; Casetti, Vincent T.; Goldsmith, Calvin D.; Caswell, Madison; Alinj, Drecila; Park, Jimin; Zeller, Matthias; Rusakov, Alexander A.; Kinney, Zacharias J.","Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores","RSC Advances","2024","14","35","25120","25129","10.1039/D4RA04850D","","","0.71073","MoKα","","0.1142","0.0531","","","0.1137","0.14","","","","","","1.008","","","","has coordinates,has disorder","294091","2024-08-13","01:18:31",""
"7249201","41.918","0.003","26.6997","0.0019","15.3487","0.0011","90","","104.041","0.002","90","","16665","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 O2 S2 -","- C37.9975 H39.9945 O2 S2 -","- C607.96 H639.912 O32 S32 -","16","2","","Adusei, Emmanuel B. A.; Casetti, Vincent T.; Goldsmith, Calvin D.; Caswell, Madison; Alinj, Drecila; Park, Jimin; Zeller, Matthias; Rusakov, Alexander A.; Kinney, Zacharias J.","Bent naphthodithiophenes: synthesis and characterization of isomeric fluorophores","RSC Advances","2024","14","35","25120","25129","10.1039/D4RA04850D","","","0.71073","MoKα","","0.1257","0.0774","","","0.2225","0.2622","","","","","","1.031","","","","has coordinates,has disorder","294091","2024-08-13","01:18:31",""
"7249202","7.6349","0.0007","8.9698","0.001","11.0037","0.0012","106.884","0.01","97.904","0.009","110.288","0.009","652.1","0.14","125.8","0.3","125.8","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Cl4 Co N12 -","- C20 H30 Cl4 Co N12 -","- C20 H30 Cl4 Co N12 -","1","0.5","","Jabeur, Wiem; Korb, Marcus; Hamdi, Mohamed; Holub, Mariia; Princík, Dávid; Zeleňák, Vladimír; Sanchez-Coronilla, Antonio; Shalash, Marwan; Čižmár, Erik; Naïli, Houcine","Structural, optical and magnetic properties of a new metal–organic CoII-based complex","RSC Advances","2024","14","34","25048","25061","10.1039/D4RA02149E","","","0.71073","MoKα","","0.0671","0.0591","","","0.1528","0.1606","","","","","","1.044","","","","has coordinates","294092","2024-08-13","01:18:51",""
"7249214","12.697","0.0011","16.0824","0.0015","18.3656","0.0016","90","","94.885","0.003","90","","3736.6","0.6","100.07","","100.07","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Cu N5 O8 -","- C38 H47 Cu N5 O8 -","- C152 H188 Cu4 N20 O32 -","4","1","","Tella, Adedibu C.; Olatunji, Sunday J.; Ajibade, Peter A.","Functionalization of a porous copper(ii) metal–organic framework and its capacity for loading and delivery of ibuprofen","RSC Advances","2024","14","35","25759","25770","10.1039/D4RA03678F","","","1.54178","CuKα","","0.0505","0.0465","","","0.1292","0.1309","","","","","","1.017","","","","has coordinates","294148","2024-08-16","01:22:46",""
"7249215","9.0416","0.0003","20.2173","0.0005","22.2247","0.0006","90","","90","","90","","4062.6","0.2","99.97","0.13","99.97","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C204 H192 O36 -","12","3","","Zhang, Yu; Yu, Yueyang; Ma, Xiaoqiang; Zhao, Xiaofei; Huang, Jialin; Zhao, Depeng","Conformational studies of biaryl-bridged seven-membered lactones with a quaternary carbon center.","RSC advances","2024","14","35","25663","25668","10.1039/d4ra04703f","","x-ray","1.54184","CuKα","","0.0881","0.0734","","","0.1726","0.2089","","","","","","1.139","","","","has coordinates","294149","2024-08-16","01:23:14",""
"7249216","8.339","0.0004","11.1632","0.0006","16.2872","0.0007","90","","93.877","0.004","90","","1512.7","0.13","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Zhang, Yu; Yu, Yueyang; Ma, Xiaoqiang; Zhao, Xiaofei; Huang, Jialin; Zhao, Depeng","Conformational studies of biaryl-bridged seven-membered lactones with a quaternary carbon center.","RSC advances","2024","14","35","25663","25668","10.1039/d4ra04703f","","x-ray","1.54184","CuKα","","0.1159","0.109","","","0.322","0.3254","","","","","","1.249","","","","has coordinates","294149","2024-08-16","01:23:14",""
"7249217","7.9631","0.0001","9.0415","0.0001","19.8923","0.0001","90","","90","","90","","1432.21","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Zhang, Yu; Yu, Yueyang; Ma, Xiaoqiang; Zhao, Xiaofei; Huang, Jialin; Zhao, Depeng","Conformational studies of biaryl-bridged seven-membered lactones with a quaternary carbon center.","RSC advances","2024","14","35","25663","25668","10.1039/d4ra04703f","","x-ray","1.54184","CuKα","","0.0289","0.0281","","","0.0741","0.0745","","","","","","1.049","","","","has coordinates","294149","2024-08-16","01:23:15",""
"7249224","10.6343","0.0007","30.9675","0.0018","12.5823","0.0008","90","","110.817","0.002","90","","3873.1","0.4","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 Cl2 N6 O2 Ti -","- C37 H48 Cl2 N6 O2 Ti -","- C148 H192 Cl8 N24 O8 Ti4 -","4","1","","Flores-Romero, Víctor; LeBlanc, Jesse; Chen, Zichuan; Lavoie, Gino G.","Ti and Zr complexes bearing guanidine-phenolate ligands: coordination chemistry and polymerization studies","RSC Advances","2024","14","35","25889","25899","10.1039/D4RA05146G","","","0.71073","MoKα","","0.07","0.06","","","0.1306","0.1352","","","","","","1.191","","","","has coordinates,has disorder","294166","2024-08-18","01:01:22",""
"7249225","14.5172","0.0008","11.584","0.0006","19.1268","0.001","90","","90","","90","","3216.5","0.3","173","2","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H46 N6 O4 Ti -","- C30 H46 N6 O4 Ti -","- C120 H184 N24 O16 Ti4 -","4","1","","Flores-Romero, Víctor; LeBlanc, Jesse; Chen, Zichuan; Lavoie, Gino G.","Ti and Zr complexes bearing guanidine-phenolate ligands: coordination chemistry and polymerization studies","RSC Advances","2024","14","35","25889","25899","10.1039/D4RA05146G","","","0.71073","MoKα","","0.0924","0.0481","","","0.1066","0.1296","","","","","","1.053","","","","has coordinates","294166","2024-08-18","01:01:23",""
"7249226","9.6548","0.0004","15.7838","0.0006","19.7193","0.0007","90","","90.246","0.002","90","","3005","0.2","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N6 O4 Zr -","- C28 H42 N6 O4 Zr -","- C112 H168 N24 O16 Zr4 -","4","1","","Flores-Romero, Víctor; LeBlanc, Jesse; Chen, Zichuan; Lavoie, Gino G.","Ti and Zr complexes bearing guanidine-phenolate ligands: coordination chemistry and polymerization studies","RSC Advances","2024","14","35","25889","25899","10.1039/D4RA05146G","","","0.71073","MoKα","","0.0976","0.058","","","0.0979","0.1126","","","","","","1.049","","","","has coordinates","294166","2024-08-18","01:01:23",""
"7249227","23.2014","0.0007","10.7004","0.0003","24.3975","0.0007","90","","95.7949","0.0012","90","","6026.1","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N6 O4 Ti -","- C28 H42 N6 O4 Ti -","- C224 H336 N48 O32 Ti8 -","8","2","","Flores-Romero, Víctor; LeBlanc, Jesse; Chen, Zichuan; Lavoie, Gino G.","Ti and Zr complexes bearing guanidine-phenolate ligands: coordination chemistry and polymerization studies","RSC Advances","2024","14","35","25889","25899","10.1039/D4RA05146G","","","0.71073","MoKα","","0.0643","0.0532","","","0.1254","0.1316","","","","","","1.131","","","","has coordinates,has disorder","294166","2024-08-18","01:01:23",""
"7249242","9.578","0.0003","16.2412","0.0006","33.3733","0.0012","90","","96.353","0.001","90","","5159.6","0.3","145","2","145","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 I2 N4 Pd -","- C24 H26 I2 N4 Pd -","- C192 H208 I16 N32 Pd8 -","8","2","","Joshi, Om Prakash; Thirumoorthi, Ramalingam; Pardasani, Ram T.; Ray, Sriparna; Dash, Chandrakanta","Palladium(ii) complexes bearing mesoionic carbene ligands: catalytic application in domino Sonogashira coupling/cyclization reactions for one-pot synthesis of benzofuran and indole derivatives.","RSC advances","2024","14","37","27141","27152","10.1039/d4ra03485f","","","0.71073","MoKα","","0.0498","0.043","","","0.0883","0.0906","","","","","","1.206","","","","has coordinates","294268","2024-08-29","01:10:41",""
"7249243","16.017","0.003","14.142","0.003","26.803","0.006","90","","90.347","0.009","90","","6071","2","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H28 Fe2 N10 O22 -","- C54 H28 Fe2 N10 O22 -","- C216 H112 Fe8 N40 O88 -","4","0.5","","Sendh, Jagajiban; Baruah, Jubaraj B.","Bi-component sensing platform for the detection of Cd<sup>2+</sup>, Fe<sup>2+</sup>and Fe<sup>3+</sup> ions.","RSC advances","2024","14","37","27153","27161","10.1039/d4ra04655b","","","0.71073","MoKα","","0.0532","0.0404","","","0.1122","0.1258","","","","","","1.045","","","","has coordinates","294269","2024-08-29","01:11:11",""
"7249244","7.808","0.006","14.712","0.011","14.844","0.012","117.038","0.016","92.27","0.02","98.607","0.015","1490","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 Fe N5 O12 -","- C32 H20 Fe N5 O12 -","- C64 H40 Fe2 N10 O24 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Bi-component sensing platform for the detection of Cd<sup>2+</sup>, Fe<sup>2+</sup>and Fe<sup>3+</sup> ions.","RSC advances","2024","14","37","27153","27161","10.1039/d4ra04655b","","","0.71073","MoKα","","0.0415","0.0375","","","0.1037","0.1062","","","","","","1.067","","","","has coordinates","294269","2024-08-29","01:11:11",""
"7249245","10.9599","0.0003","10.3802","0.0004","14.7603","0.0004","90","","92.621","0.003","90","","1677.46","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nifedipine","dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Singh, Vishal; Rajput, Khushbu; Singh, Sundaram; Srivastava, Vandana","Montmorillonite K-10 catalyzed synthesis of Hantzsch dihydropyridine derivatives from methyl arenes <i>via in situ</i> generated ammonia under microwave irradiation in neat conditions.","RSC advances","2024","14","37","27086","27091","10.1039/d4ra04990j","","x-ray","1.54184","CuKα","","0.1041","0.0873","","","0.2781","0.2991","","","","","","1.106","","","","has coordinates","294270","2024-08-29","01:11:27",""
"7249246","18.7156","0.0007","8.5123","0.0003","21.5158","0.0009","90","","90","","90","","3427.7","0.2","180","","180","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6,6-difluoro-4-(4-methoxyphenyl)-5-(p-tolyl)-2-(trifluoromethyl)-6H-1,3-oxazine","","- C19 H14 F5 N O2 -","- C19 H14 F5 N O2 -","- C152 H112 F40 N8 O16 -","8","1","","Janecký, Lukáš; Klepetářová, Blanka; Beier, Petr","Transformation of 5-acylated <i>N</i>-fluoroalkyl-1,2,3-triazoles to trifluoromethylated ring-fused isoquinolines, 1,3-oxazines, and 1,3-oxazin-6-ones <i>via</i> ketenimines.","RSC advances","2024","14","37","26938","26942","10.1039/d4ra04794j","","x-ray","1.54178","CuKα","","0.0452","0.0398","","0.1099","0.1033","0.1098","","","","","","0.9901","","","","has coordinates","294271","2024-08-29","01:12:04",""
"7249247","4.8502","0.0002","10.1006","0.0003","14.4402","0.0005","109.303","0.0012","97.3122","0.0013","95.91","0.0013","654.23","0.04","180","","180","","","","","","","","","5","P -1","-P 1","2","","2-fluoro-8-methoxy-2-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-cyclopenta[c]isoquinolin-1-one","","- C15 H11 F4 N O2 -","- C15 H11 F4 N O2 -","- C30 H22 F8 N2 O4 -","2","1","","Janecký, Lukáš; Klepetářová, Blanka; Beier, Petr","Transformation of 5-acylated <i>N</i>-fluoroalkyl-1,2,3-triazoles to trifluoromethylated ring-fused isoquinolines, 1,3-oxazines, and 1,3-oxazin-6-ones <i>via</i> ketenimines.","RSC advances","2024","14","37","26938","26942","10.1039/d4ra04794j","","x-ray","1.54178","CuKα","","0.0355","0.0335","","0.0963","0.0929","0.0963","","","","","","0.978","","","","has coordinates","294271","2024-08-29","01:12:04",""
"7249248","11.2617","0.0004","14.3039","0.0005","9.125","0.0003","90","","109.16","0.0011","90","","1388.48","0.08","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-phenyl-4-(thiophen-2-yl)-2-(trifluoromethyl)-6H-1,3-oxazin-6-one","","- C15 H8 F3 N O2 S -","- C15 H8 F3 N O2 S -","- C60 H32 F12 N4 O8 S4 -","4","1","","Janecký, Lukáš; Klepetářová, Blanka; Beier, Petr","Transformation of 5-acylated <i>N</i>-fluoroalkyl-1,2,3-triazoles to trifluoromethylated ring-fused isoquinolines, 1,3-oxazines, and 1,3-oxazin-6-ones <i>via</i> ketenimines.","RSC advances","2024","14","37","26938","26942","10.1039/d4ra04794j","","x-ray","1.54178","CuKα","","0.0298","0.0284","","0.0738","0.0719","0.0738","","","","","","0.9336","","","","has coordinates,has disorder","294271","2024-08-29","01:12:04",""
"7249272","13.8767","0.0004","13.7096","0.0004","26.8754","0.0008","90","","103.797","0.003","90","","4965.4","0.3","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Cd N2 O12 -","- C28 H16 Cd N2 O12 -","- C224 H128 Cd8 N16 O96 -","8","1","","Hou, Yaxin; Liu, Yang; Chai, Juan","A Cd-based MOF: iodine capture and enhanced efficiency of perovskite solar cells","RSC Advances","2024","14","38","27697","27702","10.1039/D4RA05219F","","x-ray","0.71073","MoKα","","0.0505","0.0378","","","0.0969","0.1033","","","","","","1.062","","","","has coordinates","294335","2024-09-03","01:17:51",""
"7249273","22.162","0.003","7.1809","0.001","10.8505","0.0015","90","","90","","90","","1726.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H8 N2 O3 S -","- C7 H8 N2 O3 S -","- C56 H64 N16 O24 S8 -","8","1","","Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V.","Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate","RSC Advances","2024","14","38","27894","27903","10.1039/D4RA04959D","","x-ray","0.71073","MoKα","","0.0349","0.0306","","","0.0833","0.0867","","","","","","1.064","","","","has coordinates","294336","2024-09-03","01:18:20",""
"7249274","5.0499","0.0002","7.4591","0.0003","9.4964","0.0003","90.462","0.003","91.106","0.003","108.081","0.004","339.94","0.02","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C5 H5 Cl N2 O S -","- C5 H5 Cl N2 O S -","- C10 H10 Cl2 N4 O2 S2 -","2","1","","Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V.","Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate","RSC Advances","2024","14","38","27894","27903","10.1039/D4RA04959D","","x-ray","0.71073","MoKα","","0.0264","0.0251","","","0.0691","0.0701","","","","","","1.067","","","","has coordinates","294336","2024-09-03","01:18:20",""
"7249275","20.4035","0.0006","8.6054","0.0003","23.5849","0.0006","90","","90","","90","","4141","0.2","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H30 Cl2 N4 O12 S2 -","- C42 H30 Cl2 N4 O12 S2 -","- C168 H120 Cl8 N16 O48 S8 -","4","1","","Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V.","Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate","RSC Advances","2024","14","38","27894","27903","10.1039/D4RA04959D","","","0.71073","MoKα","","0.0584","0.0441","","","0.0999","0.1082","","","","","","1.038","","","","has coordinates","294336","2024-09-03","01:18:20",""
"7249276","7.6951","0.0003","8.025","0.0002","11.2161","0.0006","83.335","0.003","76.981","0.004","81.112","0.003","664.34","0.05","303","2","303","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Co N5 O4 -","- C14 H11 Co N5 O4 -","- C28 H22 Co2 N10 O8 -","2","1","","Mei, Zhen-Zhong; Wang, Hong-Yu; Ren, Chao; Yang, Ying; Gu, Jin-Zhong","Hydrothermal synthesis, structures, and catalytic performance of five coordination compounds driven by 5-aminoisophthalic acid","RSC Advances","2024","14","38","28160","28167","10.1039/D4RA05352D","","","0.71073","MoKα","","0.0406","0.0369","","","0.0759","0.0772","","","","","","1.136","","","","has coordinates","294354","2024-09-04","01:18:05",""
"7249277","7.8965","0.0001","8.168","0.0001","11.425","0.0002","83.743","0.001","77.408","0.002","81.266","0.001","708.63","0.018","285","2","285","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cd N5 O4 -","- C14 H11 Cd N5 O4 -","- C28 H22 Cd2 N10 O8 -","2","1","","Mei, Zhen-Zhong; Wang, Hong-Yu; Ren, Chao; Yang, Ying; Gu, Jin-Zhong","Hydrothermal synthesis, structures, and catalytic performance of five coordination compounds driven by 5-aminoisophthalic acid","RSC Advances","2024","14","38","28160","28167","10.1039/D4RA05352D","","","1.54184","CuKα","","0.0237","0.0226","","","0.0579","0.0584","","","","","","1.037","","","","has coordinates","294354","2024-09-04","01:18:05",""
"7249278","11.9238","0.0003","8.0959","0.0002","18.3412","0.0005","90","","95.998","0.002","90","","1760.85","0.08","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 N10 Ni2 O16 -","- C28 H38 N10 Ni2 O16 -","- C56 H76 N20 Ni4 O32 -","2","0.5","","Mei, Zhen-Zhong; Wang, Hong-Yu; Ren, Chao; Yang, Ying; Gu, Jin-Zhong","Hydrothermal synthesis, structures, and catalytic performance of five coordination compounds driven by 5-aminoisophthalic acid","RSC Advances","2024","14","38","28160","28167","10.1039/D4RA05352D","","","0.71073","MoKα","","0.0384","0.0324","","","0.0864","0.0922","","","","","","1.031","","","","has coordinates","294354","2024-09-04","01:18:05",""
"7249279","11.0968","0.0004","22.3594","0.0007","11.6156","0.0004","90","","107.065","0.004","90","","2755.15","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 N4 Ni O5 -","- C32 H25 N4 Ni O5 -","- C128 H100 N16 Ni4 O20 -","4","1","","Mei, Zhen-Zhong; Wang, Hong-Yu; Ren, Chao; Yang, Ying; Gu, Jin-Zhong","Hydrothermal synthesis, structures, and catalytic performance of five coordination compounds driven by 5-aminoisophthalic acid","RSC Advances","2024","14","38","28160","28167","10.1039/D4RA05352D","","","0.71073","MoKα","","0.0364","0.03","","","0.0788","0.0826","","","","","","1.051","","","","has coordinates","294354","2024-09-04","01:18:06",""
"7249280","10.1262","0.0003","13.2389","0.0003","13.3575","0.0003","88.8838","0.0017","75.6606","0.0019","74.27","0.002","1667.76","0.08","303","2","303","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H55 N9 Ni3 O14 -","- C60 H55 N9 Ni3 O14 -","- C60 H55 N9 Ni3 O14 -","1","1","","Mei, Zhen-Zhong; Wang, Hong-Yu; Ren, Chao; Yang, Ying; Gu, Jin-Zhong","Hydrothermal synthesis, structures, and catalytic performance of five coordination compounds driven by 5-aminoisophthalic acid","RSC Advances","2024","14","38","28160","28167","10.1039/D4RA05352D","","","1.54184","CuKα","","0.0438","0.042","","","0.1184","0.1205","","","","","","1.066","","","","has coordinates","294354","2024-09-04","01:18:07",""
"7249281","9.5063","0.0002","16.1542","0.0006","19.9926","0.0007","90","","95.61","0.003","90","","3055.49","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Br2 Co N5 O2 -","- C27 H35 Br2 Co N5 O2 -","- C108 H140 Br8 Co4 N20 O8 -","4","1","","Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms","RSC Advances","2024","14","38","28138","28147","10.1039/D4RA02387K","","","1.54184","CuKα","","0.0754","0.0538","","","0.1438","0.1588","","","","","","1.037","","","","has coordinates","294355","2024-09-04","01:19:11",""
"7249282","9.4553","0.0003","9.5655","0.0003","18.0521","0.0005","84.509","0.002","85.684","0.002","69.475","0.003","1520.53","0.09","99.98","0.13","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Co N7 O2 S2 -","- C29 H35 Co N7 O2 S2 -","- C58 H70 Co2 N14 O4 S4 -","2","1","","Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms","RSC Advances","2024","14","38","28138","28147","10.1039/D4RA02387K","","","1.54184","CuKα","","0.0697","0.0624","","","0.1597","0.1647","","","","","","1.03","","","","has coordinates,has disorder","294355","2024-09-04","01:19:12",""
"7249283","9.8084","0.0002","16.5786","0.0003","20.3177","0.0003","90","","92.489","0.002","90","","3300.73","0.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Cl0.51 Co I1.49 N5 O4.05 -","- C27 H35 Cl0.513 Co I1.487 N5 O4.052 -","- C108 H140 Cl2.052 Co4 I5.948 N20 O16.208 -","4","1","","Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms","RSC Advances","2024","14","38","28138","28147","10.1039/D4RA02387K","","","1.54184","CuKα","","0.0561","0.0473","","","0.1282","0.1341","","","","","","1.032","","","","has coordinates,has disorder","294355","2024-09-04","01:19:12",""
"7249284","10.1831","0.0003","15.8178","0.0004","19.919","0.0006","90","","93.777","0.003","90","","3201.47","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl Co N6 O7 -","- C28 H35 Cl Co N6 O7 -","- C112 H140 Cl4 Co4 N24 O28 -","4","1","","Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms","RSC Advances","2024","14","38","28138","28147","10.1039/D4RA02387K","","","1.54184","CuKα","","0.071","0.0567","","","0.1553","0.1634","","","","","","1.077","","","","has coordinates,has disorder","294355","2024-09-04","01:19:12",""
"7249285","10.2781","0.0004","15.7954","0.0004","19.6987","0.0005","90","","95.297","0.003","90","","3184.36","0.17","100","0.13","100","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Cl Co N8 O6 -","- C27 H35 Cl Co N8 O6 -","- C108 H140 Cl4 Co4 N32 O24 -","4","1","","Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms","RSC Advances","2024","14","38","28138","28147","10.1039/D4RA02387K","","","1.54184","CuKα","","0.0881","0.0639","","","0.1708","0.1869","","","","","","1.033","","","","has coordinates,has disorder","294355","2024-09-04","01:19:12",""
"7249286","9.2098","0.0001","32.9484","0.0003","9.7803","0.0001","90","","90","","90","","2967.81","0.05","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H35 Co N7 O2 S2 -","- C29 H35 Co N7 O2 S2 -","- C116 H140 Co4 N28 O8 S8 -","4","1","","Zahradníková, Eva; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Halaš, Petr; Drahoš, Bohuslav","Synthesis, structural and magnetic properties of cobalt(ii) complexes with pyridine-based macrocyclic ligand containing two pyridine pendant arms","RSC Advances","2024","14","38","28138","28147","10.1039/D4RA02387K","","","1.54184","CuKα","","0.0274","0.0268","","0.0733","0.073","0.0733","","","","","","0.9526","","","","has coordinates","294355","2024-09-04","01:19:13",""
"7249332","10.1982","0.0003","15.7867","0.0006","35.274","0.0011","87.532","0.003","83.977","0.003","72.535","0.003","5386.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H72 Cl2 Fe N5 O7 -","- C57 H72 Cl2 Fe N5 O7 -","- C228 H288 Cl8 Fe4 N20 O28 -","4","2","","Poungsripong, Peeranuch; Boonprab, Theerapoom; Harding, Phimphaka; Murray, Keith S.; Phonsri, Wasinee; Zhang, Ningjin; Kitchen, Jonathan A.; Harding, David J.","Synthesis, mixed-spin-state structure and Langmuir-Blodgett deposition of amphiphilic Fe(iii) quinolylsalicylaldiminate complexes.","RSC advances","2024","14","39","28716","28723","10.1039/d4ra06111j","","x-ray","0.71073","MoKα","K-L~3~","0.1346","0.072","","","0.1572","0.1923","","","","","","1.025","","","","has coordinates","294728","2024-09-12","01:06:19",""
"7249333","11.284","0.0004","12.1389","0.0004","19.1724","0.0005","87.836","0.002","79.244","0.002","74.869","0.003","2490.4","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H37 N2 O2.5 -","- C28 H37 N2 O2.5 -","- C112 H148 N8 O10 -","4","2","","Poungsripong, Peeranuch; Boonprab, Theerapoom; Harding, Phimphaka; Murray, Keith S.; Phonsri, Wasinee; Zhang, Ningjin; Kitchen, Jonathan A.; Harding, David J.","Synthesis, mixed-spin-state structure and Langmuir-Blodgett deposition of amphiphilic Fe(iii) quinolylsalicylaldiminate complexes.","RSC advances","2024","14","39","28716","28723","10.1039/d4ra06111j","","x-ray","0.71073","MoKα","","0.1076","0.0568","","","0.1323","0.158","","","","","","1.017","","","","has coordinates,has disorder","294728","2024-09-12","01:06:21",""
"7249352","4.4615","0.0001","15.3156","0.0003","13.0669","0.0003","90","","97.558","0.002","90","","885.11","0.03","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 N8 O6 -","- C14 H20 N8 O6 -","- C28 H40 N16 O12 -","2","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Wyshusek, Maik; Patzer, Michael; Reiss, Guido J.","Supramolecular architecture of theophylline polymorphs, monohydrate and co-crystals with iodine: study from the energetic viewpoint","RSC Advances","2024","14","41","29774","29788","10.1039/D4RA04368E","","","0.71073","MoKα","","0.0551","0.0407","","","0.0859","0.0926","","","","","","1.009","","","","has coordinates","294793","2024-09-19","01:15:52",""
"7249353","3.8744","0.0004","12.8898","0.0009","8.1167","0.0006","90","","98.965","0.008","90","","400.4","0.06","290","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C14 H16 N8 O4 -","2","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Wyshusek, Maik; Patzer, Michael; Reiss, Guido J.","Supramolecular architecture of theophylline polymorphs, monohydrate and co-crystals with iodine: study from the energetic viewpoint","RSC Advances","2024","14","41","29774","29788","10.1039/D4RA04368E","","","0.71073","MoKα","","0.0689","0.0491","","","0.0908","0.0983","","","","","","1.033","","","","has coordinates","294793","2024-09-19","01:15:54",""
"7249354","6.0794","0.0001","16.9054","0.0003","9.2013","0.0002","90","","99.973","0.002","90","","931.37","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 I N4 O2 -","- C7 H8 I N4 O2 -","- C28 H32 I4 N16 O8 -","4","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Wyshusek, Maik; Patzer, Michael; Reiss, Guido J.","Supramolecular architecture of theophylline polymorphs, monohydrate and co-crystals with iodine: study from the energetic viewpoint","RSC Advances","2024","14","41","29774","29788","10.1039/D4RA04368E","","x-ray","0.71073","MoKα","","0.0194","0.0182","","","0.0482","0.0489","","","","","","1.069","","","","has coordinates","294793","2024-09-19","01:15:56",""
"7249355","4.1492","0.0001","19.9564","0.0005","9.7232","0.0003","90","","90","","90","","805.11","0.04","135.15","","135.15","","","","","","","","","4","P b c m","-P 2c 2b","57","","5-(4-bromophenyl)-2H-tetrazole","","- C7 H5 Br N4 -","- C3.5 H2.5 Br0.5 N2 -","- C28 H20 Br4 N16 -","8","1","","Maurya, Anand; Patel, Upendra Kumar; Kumar, Sanjeev; Agarwal, Alka","Molybdenum trioxide as a newer diversified economic catalyst for the transformation of nitroarenes to arylamine and 5-substituted-1H-tetrazole","RSC Advances","2024","14","40","29505","29517","10.1039/D4RA05443A","","","1.54184","CuKα","","0.0441","0.0393","","","0.1207","0.1254","","","","","","1.088","","","","has coordinates","294794","2024-09-19","01:16:26",""
"7249357","13.9608","0.0013","27.9958","0.0019","14.7493","0.0011","90","","116.436","0.011","90","","5161.9","0.9","298","2","298.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H58 O53 S4 Zr6 -","- C8 H32 O40 S4 Zr6 -","- C32 H128 O160 S16 Zr24 -","4","1","","Garzón-Serrano, Andrea Y.; Lozano, Johan D.; Perez, Leon D.; Sierra, César A.; Macías, Mario A.","Zr6O8 core cluster with formula unit [Zr6O4(OH)4(OH2)8(CH3COO)4(SO4)4]·nH2O obtained under mild conditions","RSC Advances","2024","14","41","29910","29918","10.1039/D4RA03940H","","","1.54184","CuKα","","0.0632","0.0517","","","0.1315","0.1437","","","","","","1.0233","","","","has coordinates","294817","2024-09-20","01:21:44",""
"7249369","9.8359","0.0002","13.2198","0.0003","15.2566","0.0002","85.451","0.001","82.673","0.001","69.423","0.002","1840.79","0.07","100","0.13","100","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N2 O2 -","- C46 H50 N2 O2 -","- C92 H100 N4 O4 -","2","1","","Dangar, Shilpa; Roy, Tiyasa; Noskar, Suman; Bisai, Alakesh","Total synthesis of bicyclomahanimbine by Cu(ii)-promoted photoredox process.","RSC advances","2024","14","41","30110","30115","10.1039/d4ra05863a","","x-ray","1.54184","CuKα","","0.048","0.0415","","","0.1112","0.1164","","","","","","1.057","","","","has coordinates","294877","2024-09-25","01:19:47",""
"7249370","10.8951","0.0006","12.6583","0.0007","12.8328","0.0007","87.684","0.002","77.714","0.002","72.944","0.002","1652.77","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N6 Ni O9 -","- C28 H28 Cl2 N6 Ni O9 -","- C56 H56 Cl4 N12 Ni2 O18 -","2","1","","Rajeev, Anjana; Muthuramalingam, Sethuraman; Sankaralingam, Muniyandi","Selective synthesis of cyclic alcohols from cycloalkanes using nickel(ii) complexes of tetradentate amidate ligands","RSC Advances","2024","14","41","30440","30451","10.1039/D4RA05222F","","","0.71073","MoKα","","0.0763","0.0708","","","0.2171","0.2247","","","","","","0.915","","","","has coordinates,has disorder","294878","2024-09-25","01:20:12",""
"7249371","17.786","0.003","7.4291","0.0013","21.345","0.004","90","","101.411","0.005","90","","2764.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl2 N5 Ni O10 -","- C23 H27 Cl2 N5 Ni O10 -","- C92 H108 Cl8 N20 Ni4 O40 -","4","1","","Rajeev, Anjana; Muthuramalingam, Sethuraman; Sankaralingam, Muniyandi","Selective synthesis of cyclic alcohols from cycloalkanes using nickel(ii) complexes of tetradentate amidate ligands","RSC Advances","2024","14","41","30440","30451","10.1039/D4RA05222F","","","0.71073","MoKα","","0.0633","0.0429","","","0.0942","0.1045","","","","","","1.034","","","","has coordinates,has disorder","294878","2024-09-25","01:20:13",""
"7249393","14.9362","0.0003","14.9362","0.0003","8.0716","0.0003","90","","90","","120","","1559.45","0.07","100","","100","","","","","","","","","5","P -3","-P 3","147","","","","- C33 H31 B N9 Na -","- C33 H31 B N9 Na -","- C66 H62 B2 N18 Na2 -","2","0.333333","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.0603","0.0439","","","0.0983","0.1156","","","","","","1.099","","","","has coordinates,has disorder","294917","2024-09-27","01:26:49",""
"7249394","17.1463","0.0005","17.1463","0.0005","17.0555","0.0007","90","","90","","120","","4342.5","0.3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C27 H25 B N9 Na S3 -","- C27 H25 B N9 Na S3 -","- C162 H150 B6 N54 Na6 S18 -","6","0.333333","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.0399","0.0343","","","0.0782","0.0852","","","","","","1.18","","","","has coordinates","294917","2024-09-27","01:26:51",""
"7249395","11.7918","0.0006","23.2058","0.0013","5.2271","0.0003","90","","90","","90","","1430.33","0.14","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H12 B K N4 O2 -","- C14 H12 B K N4 O2 -","- C56 H48 B4 K4 N16 O8 -","4","0.5","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.0349","0.0313","","","0.0747","0.0786","","","","","","1.109","","","","has coordinates","294917","2024-09-27","01:26:52",""
"7249396","17.4388","0.0008","17.4388","0.0008","16.8446","0.0007","90","","90","","120","","4436.3","0.3","100","","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C27 H25 B K N9 S3 -","- C27 H25 B K N9 S3 -","- C162 H150 B6 K6 N54 S18 -","6","0.333333","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.0605","0.0452","","","0.0962","0.1122","","","","","","1.267","","","","has coordinates","294917","2024-09-27","01:27:01",""
"7249397","15.7237","0.001","10.8738","0.0007","20.0182","0.0011","90","","111.251","0.002","90","","3189.9","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 B2 N12 Na2 -","- C32 H28 B2 N12 Na2 -","- C128 H112 B8 N48 Na8 -","4","0.5","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.0767","0.0571","","","0.1335","0.1616","","","","","","1.126","","","","has coordinates","294917","2024-09-27","01:27:03",""
"7249398","10.5827","0.0005","21.2856","0.0011","14.616","0.0006","90","","104.567","0.002","90","","3186.6","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 B2 Li2 N12 -","- C32 H28 B2 Li2 N12 -","- C128 H112 B8 Li8 N48 -","4","0.5","","Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A.","Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts","RSC Advances","2024","14","42","30713","30718","10.1039/D4RA05723F","","","0.71073","MoKα","","0.087","0.061","","","0.1429","0.1817","","","","","","1.157","","","","has coordinates,has disorder","294917","2024-09-27","01:27:03",""
"7249399","9.851","0.005","10.127","0.005","16.933","0.005","90","0.005","90","0.005","90","0.005","1689.3","1.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","","Zhang, Hong; Jiang, Yunhe; Sun, Xiaoxue; Liang, Tianyu; Wang, Xiang; Li, Yang","A new synthesis of indolo[2,3-b]quinolines from 3-acetyl-N-alkyl-2-chloroindoles with 2-aminobenzophenone","RSC Advances","2024","14","42","30707","30712","10.1039/D4RA05176A","","","0.71069","MoKα","","0.0849","0.0663","","","0.1769","0.1923","","","","","","1.08","","","","has coordinates","294919","2024-09-27","01:27:47",""
"7249400","8.5868","0.0004","13.6623","0.0006","31.998","0.0016","90","","90","","90","","3753.9","0.3","296","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 Cl N2 -","- C24 H19 Cl N2 -","- C192 H152 Cl8 N16 -","8","1","","Zhang, Hong; Jiang, Yunhe; Sun, Xiaoxue; Liang, Tianyu; Wang, Xiang; Li, Yang","A new synthesis of indolo[2,3-b]quinolines from 3-acetyl-N-alkyl-2-chloroindoles with 2-aminobenzophenone","RSC Advances","2024","14","42","30707","30712","10.1039/D4RA05176A","","","0.71073","MoKα","","0.0963","0.0612","","","0.1475","0.165","","","","","","1.087","","","","has coordinates","294919","2024-09-27","01:27:49",""
"7249404","19.806","0.008","4.4215","0.0009","16.055","0.003","90","","113.91","0.02","90","","1285.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F2 N O3 -","- C14 H9 F2 N O3 -","- C56 H36 F8 N4 O12 -","4","1","","Khorasani, Fereshteh; Ranjbar-Karimi, Reza; Mohammadiannejad, Kazem","Utilizing perhalopyridine-based alkynes as suitable precursors for the synthesis of novel poly(1,2,3-triazolyl)-substituted perhalopyridines","RSC Advances","2024","14","42","30873","30885","10.1039/D4RA05861E","","","0.71073","MoKα","","0.1076","0.0786","","","0.1597","0.1736","","","","","","1.168","","","","has coordinates","294938","2024-09-29","00:59:06",""
"7249405","13.02","0.003","9.949","0.004","27.886","0.006","90","","93.46","0.03","90","","3605.7","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 Br Cl4 N4 O -","- C15 H9 Br Cl4 N4 O -","- C120 H72 Br8 Cl32 N32 O8 -","8","1","","Khorasani, Fereshteh; Ranjbar-Karimi, Reza; Mohammadiannejad, Kazem","Utilizing perhalopyridine-based alkynes as suitable precursors for the synthesis of novel poly(1,2,3-triazolyl)-substituted perhalopyridines","RSC Advances","2024","14","42","30873","30885","10.1039/D4RA05861E","","","0.71073","MoKα","","0.1046","0.0771","","","0.2002","0.2207","","","","","","1.063","","","","has coordinates","294938","2024-09-29","00:59:08",""
"7249406","21.5606","0.0009","4.5954","0.0002","25.0465","0.001","90","","110.368","0.001","90","","2326.44","0.17","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Br4 N2 O4 Zn -","- C20 H20 Br4 N2 O4 Zn -","- C80 H80 Br16 N8 O16 Zn4 -","4","0.5","","Gishan, Md; Middya, Puspendu; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and theoretical analysis of novel zinc(ii) schiff base complexes with halogen and hydrogen bonding interactions","RSC Advances","2024","14","42","30896","30911","10.1039/D4RA06217E","","","0.71073","MoKα","","0.0619","0.0449","","","0.1099","0.1341","","","","","","1.201","","","","has coordinates,has disorder","294939","2024-09-29","00:59:34",""
"7249407","21.494","0.002","13.8469","0.0013","9.6418","0.0013","90","","90","","90","","2869.6","0.5","273","2","273","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C26 H34 N2 O8 Zn -","- C26 H34 N2 O8 Zn -","- C104 H136 N8 O32 Zn4 -","4","0.5","","Gishan, Md; Middya, Puspendu; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and theoretical analysis of novel zinc(ii) schiff base complexes with halogen and hydrogen bonding interactions","RSC Advances","2024","14","42","30896","30911","10.1039/D4RA06217E","","","0.71073","MoKα","","0.0646","0.05","","","0.14","0.1548","","","","","","1.027","","","","has coordinates,has disorder","294939","2024-09-29","00:59:35",""
"7249408","12.5138","0.0005","11.9667","0.0004","16.7858","0.0007","90","","108.173","0.001","90","","2388.27","0.16","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Br2 N2 O4 Zn -","- C22 H26 Br2 N2 O4 Zn -","- C88 H104 Br8 N8 O16 Zn4 -","4","1","","Gishan, Md; Middya, Puspendu; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and theoretical analysis of novel zinc(ii) schiff base complexes with halogen and hydrogen bonding interactions","RSC Advances","2024","14","42","30896","30911","10.1039/D4RA06217E","","","0.71073","MoKα","","0.0949","0.0682","","","0.1997","0.2263","","","","","","1.037","","","","has coordinates","294939","2024-09-29","00:59:36",""
"7249415","8.552","0.002","9.056","0.004","9.909","0.003","68.308","0.01","71.722","0.013","79.828","0.013","675.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Borane-N-benzyl-1-cyclohexylmethanamine","","- C14 H24 B N -","- C14 H24 B N -","- C28 H48 B2 N2 -","2","1","","Snyder, Madison J.; Alawaed, Abdulkhaliq A.; Li, Chunge; Pacentine, Samantha; Hamann, Henry J.; Ramachandran, P. Veeraraghavan","TiF<sub>4</sub>-mediated, one-pot, reductive amination of carboxylic acids with borane-ammonia.","RSC advances","2024","14","42","31205","31209","10.1039/d4ra05888g","","","0.71073","MoKα","","0.0698","0.0467","","","0.1199","0.1336","","","","","","1.048","","","","has coordinates","294978","2024-10-02","01:16:39",""
"7249416","8.6436","0.0005","18.9145","0.0012","8.3234","0.0005","90","","99.035","0.006","90","","1343.9","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C52 H68 N12 O8 -","4","1","","Ajormal, Fatemeh; Bikas, Rahman; Ghasemzadeh, Hossein; Noshiranzadeh, Nader; Kozakiewicz-Piekarz, Anna","Green and recyclable catalyst based on chitosan/CuFe2O4 nanocomposite hydrogel for one-step synthesis of 1,2,3-triazoles","RSC Advances","2024","14","43","31320","31331","10.1039/D4RA05626D","","","0.71073","MoKα","","0.1097","0.0602","","","0.1184","0.1442","","","","","","1.041","","","","has coordinates","294979","2024-10-02","01:16:59",""
"7249429","12.3314","0.0002","13.5371","0.0002","17.361","0.0003","90","","102.929","0.001","90","","2824.62","0.08","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Br N4 O3 P Re -","- C30 H25 Br N4 O3 P Re -","- C120 H100 Br4 N16 O12 P4 Re4 -","4","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.0337","0.0302","","","0.0719","0.0737","","","","","","1.138","","","","has coordinates,has disorder","295078","2024-10-06","00:20:28",""
"7249430","16.4795","0.0002","12.8391","0.0002","16.5133","0.0003","90","","111.481","0.0018","90","","3251.22","0.1","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31.84 H27.51 F3 Mn N4.84 O5.16 P S -","- C31.836 H27.508 F3 Mn N4.836 O5.164 P S -","- C127.344 H110.032 F12 Mn4 N19.344 O20.656 P4 S4 -","4","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.0383","0.0347","","","0.0894","0.0922","","","","","","1.032","","","","has coordinates,has disorder","295078","2024-10-06","00:20:42",""
"7249431","16.4795","0.0002","12.8391","0.0002","16.5133","0.0003","90","","111.481","0.0018","90","","3251.22","0.1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31.92 H27.77 F3 Mn N4.92 O5.08 P S -","- C31.924 H27.772 F3 Mn N4.924 O5.076 P S -","- C127.696 H111.088 F12 Mn4 N19.696 O20.304 P4 S4 -","4","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.0262","0.0261","","","0.0693","0.0694","","","","","","1.052","","","","has coordinates,has disorder","295078","2024-10-06","00:20:44",""
"7249432","16.6364","0.0003","12.9137","0.0002","16.678","0.0003","90","","111.962","0.002","90","","3323.04","0.11","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 F3 N5 O5 P Re S -","- C32 H28 F3 N5 O5 P Re S -","- C128 H112 F12 N20 O20 P4 Re4 S4 -","4","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.0431","0.0345","","","0.0839","0.0897","","","","","","1.052","","","","has coordinates","295078","2024-10-06","00:20:44",""
"7249433","11.99461","0.00014","14.01447","0.00015","19.186","0.0002","90","","96.0115","0.0011","90","","3207.39","0.06","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 F3 Mn N4 O6 P S -","- C31 H25 F3 Mn N4 O6 P S -","- C124 H100 F12 Mn4 N16 O24 P4 S4 -","4","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.0321","0.0293","","","0.0743","0.0762","","","","","","1.045","","","","has coordinates","295078","2024-10-06","00:20:46",""
"7249434","9.3815","0.0003","12.9857","0.0004","13.075","0.0005","64.443","0.003","85.597","0.003","88.991","0.003","1432.56","0.09","99.9","0.3","99.9","0.3","","","","","","","","8","P -1","-P 1","2","","","","- C28 H25 F3 Mn0.5 N4 O4 P S -","- C28 H25 F3 Mn0.5 N4 O4 P S -","- C56 H50 F6 Mn N8 O8 P2 S2 -","2","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.034","0.0307","","","0.0785","0.0815","","","","","","1.042","","","","has coordinates","295078","2024-10-06","00:20:47",""
"7249435","8.9587","0.0003","12.2629","0.0004","14.9571","0.0005","99.615","0.002","90.746","0.002","94.564","0.002","1614.38","0.09","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H25 F3 N4 O6 P Re S -","- C31 H25 F3 N4 O6 P Re S -","- C62 H50 F6 N8 O12 P2 Re2 S2 -","2","1","","Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.","Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand","RSC Advances","2024","14","43","31502","31516","10.1039/D4RA05287K","","x-ray","1.54184","CuKα","","0.0384","0.0349","","","0.0856","0.0881","","","","","","1.034","","","","has coordinates","295078","2024-10-06","00:20:50",""
"7249436","5.9259","0.0001","10.326","0.0003","17.558","0.0004","90","","96.5555","0.001","90","","1067.36","0.04","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cd N4 O4 S2 -","- C18 H18 Cd N4 O4 S2 -","- C36 H36 Cd2 N8 O8 S4 -","2","0.5","","Saleh, Dalia I.; Mahmoud, Samy F.; Etaiw, Safaa Eldin H.","Synergistic impact of nano-supramolecular coordination polymer based on cadmium, ethyl nicotinate and thiocyanate ligands as efficient catalyst to remove harmful elements from wastewater","RSC Advances","2024","14","43","31471","31485","10.1039/D4RA05068A","","","0.71073","MoKα","","0.0799","0.0343","","0.1082","0.0711","0.0711","","","","","","0.9894","","","","has coordinates","295079","2024-10-06","00:22:02",""
"7249437","7.4858","0.0003","8.0027","0.0003","12.7743","0.0005","90","","90","","90","","765.27","0.05","121","2","121","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H4 As F7 O3 -","- C2 H4 As F7 O3 -","- C8 H16 As4 F28 O12 -","4","1","","Virmani, Alan; Jessen, Christoph; Nitzer, Alexander; Kornath, Andreas J.","Deoxyfluorination with superacids – synthesis and characterization of protonated α-fluorohydroxyacetic acid","RSC Advances","2024","14","43","31517","31523","10.1039/D4RA05449K","","","0.71073","MoKα","","0.0416","0.032","","","0.0587","0.0631","","","","","","1.028","","","","has coordinates","295080","2024-10-06","00:22:47",""
"7249438","10.4665","0.0007","10.8561","0.0008","16.2199","0.0011","86.643","0.003","76.578","0.002","61.751","0.002","1576.31","0.19","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 O4 S -","- C12.5 H10.5 N1.5 O2 S0.5 -","- C50 H42 N6 O8 S2 -","4","2","","Roys, Krupa Elsa; Manju, S. L.; Siddiq, Mohamed; Sambandam, Anandan","Novel A-π-D-A organic dyes for better photovoltaic performance.","RSC advances","2024","14","40","29229","29241","10.1039/d4ra05341a","","","0.71073","MoKα","","0.1416","0.0906","","","0.3076","0.375","","","","","","1.2725","","","","has coordinates","295081","2024-10-06","00:24:17",""
"7249439","15.433","0.0011","15.7491","0.0019","19.3229","0.0015","90","","91.05","0.003","90","","4695.8","0.8","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 F12 N12 P2 Pt3 S2 -","- C30 H42 F12 N12 P2 Pt3 S2 -","- C120 H168 F48 N48 P8 Pt12 S8 -","4","1","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0544","0.0513","","","0.1054","0.1073","","","","","","1.002","","","","has coordinates","295082","2024-10-06","00:27:04",""
"7249440","12.4809","0.0002","14.6151","0.0005","15.7052","0.0001","77.649","0.018","66.585","0.013","77.483","0.017","2540.1","0.3","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C30.5 H46 F12 N12 O1.5 P2 Pt3 S2 -","- C29 H40 F12 N12 P2 Pt3 S2 -","- C58 H80 F24 N24 P4 Pt6 S4 -","2","1","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0437","0.0384","","","0.0889","0.0938","","","","","","1.062","","","","has coordinates","295082","2024-10-06","00:27:18",""
"7249441","10.2266","0.0003","13.017","0.0008","16.8232","0.0011","99.891","0.004","93.302","0.003","90.379","0.002","2202.2","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.5 H40 F12 N12 P2 Pt3 S2 -","- C28 H38 F12 N12 P2 Pt3 S2 -","- C56 H76 F24 N24 P4 Pt6 S4 -","2","1","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0255","0.0248","","","0.0581","0.0585","","","","","","1.119","","","","has coordinates","295082","2024-10-06","00:27:22",""
"7249442","12.3687","0.0011","12.3687","0.0011","27.8127","0.0018","90","","90","","90","","4254.9","0.6","193","2","193.35","","","","","","","","","8","I 41","I 4bw","80","","","","- C32 H45 F6 N11 P Pt2 Rh S2 -","- C26 H36 F6 N8 P Pt2 Rh S2 -","- C104 H144 F24 N32 P4 Pt8 Rh4 S8 -","4","0.5","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0555","0.0492","","","0.1122","0.1169","","","","","","1.0062","","","","has coordinates,has disorder","295082","2024-10-06","00:27:24",""
"7249443","16.814","0.007","17.82","0.007","22.082","0.009","101.846","0.007","92.738","0.012","92.657","0.005","6457","5","193","","193","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H102 Ag3 F42 N30 P7 Pt6 S4 -","- C72 H102 Ag3 F42 N30 P7 Pt6 S4 -","- C144 H204 Ag6 F84 N60 P14 Pt12 S8 -","2","1","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0766","0.0625","","","0.1521","0.1643","","","","","","1.016","","","","has coordinates","295082","2024-10-06","00:27:30",""
"7249444","14.1996","0.0006","14.1996","0.0006","16.3484","0.0007","90","","90","","120","","2854.7","0.2","193","","193.35","","","","","","","","","7","P 63/m","-P 6c","176","","","","- C39 H57 F12 N15 P2 Pt3 S2 -","- C39 H57 F12 N15 P2 Pt3 S2 -","- C78 H114 F24 N30 P4 Pt6 S4 -","2","0.166667","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0329","0.0328","","","0.0737","0.0737","","","","","","1.0282","","","","has coordinates,has disorder","295082","2024-10-06","00:27:34",""
"7249445","17.827","0.004","25.802","0.004","13.476","0.003","90","","128.641","0.005","90","","4841.6","1.7","193","2","193.35","","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C79 H85 B2 Cl6 N8 Pt2 Rh S2 -","- C76 H79 B2 N8 Pt2 Rh S2 -","- C152 H158 B4 N16 Pt4 Rh2 S4 -","2","0.5","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0447","0.0399","","","0.0958","0.102","","","","","","0.8978","","","","has coordinates,has disorder","295082","2024-10-06","00:27:37",""
"7249446","24.235","0.002","12.8335","0.0009","20.6397","0.0018","90","","112.905","0.002","90","","5913.2","0.8","193","2","193.35","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36.2 H53.8 Ag2 F13 N15.2 O5.8 P3.5 Pt3 S2 -","- C30.2 H44.8 Ag2 F13 N12.2 O5.8 P3.5 Pt3 S2 -","- C120.8 H179.2 Ag8 F52 N48.8 O23.2 P14 Pt12 S8 -","4","1","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Restriction of reaction sites on metal-sulfide cores induced by steric repulsion of bis-N-heterocyclic carbene ligands in trinuclear complexes bearing triply bridging sulfide ligands.","RSC advances","2024","14","40","29355","29367","10.1039/d4ra01671h","","","0.71075","MoKα","","0.0763","0.0684","","","0.1236","0.1283","","","","","","1.039","","","","has coordinates,has disorder","295082","2024-10-06","00:27:39",""
"7249447","10.3826","0.0006","16.2352","0.001","21.2335","0.0014","106.864","0.002","102.927","0.002","102.216","0.002","3188.4","0.3","301","2","301","","","","","","","","","5","P -1","-P 1","2","","","","- C66.9 H43.1 N5.3 O21.3 Zn4 -","- C66 H41 N5 O21 Zn4 -","- C132 H82 N10 O42 Zn8 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Sequential effects of two cations on the fluorescence emission of a coordination polymer with Zn<sub>4</sub>O core in node.","RSC advances","2024","14","43","31598","31606","10.1039/d4ra06309k","","","0.71073","MoKα","","0.0704","0.0479","","","0.1309","0.1583","","","","","","1.098","","","","has coordinates,has disorder","295376","2024-10-09","01:25:01",""
"7249448","9.9899","0.0011","14.6866","0.0016","17.88","0.002","88.277","0.005","77.431","0.004","78.288","0.005","2506.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis-(triphenylphosphine)- ?3-2,4,6-tris-(2-pyridyl)-1,3,5-triazine silver (I) perchlorate ethanol mono solvate","","- C56 H48 Ag Cl N6 O5 P2 -","- C56 H48 Ag Cl N6 O5 P2 -","- C112 H96 Ag2 Cl2 N12 O10 P4 -","2","1","","Hassoon, Azza A.; Smith, Stacey J.; Harrison, Roger G.","Cadmium and silver complexes of a pyridine containing ligand: syntheses, structural studies, biological activity and docking studies","RSC Advances","2024","14","43","31850","31860","10.1039/D4RA05305B","","","1.54178","CuKα","","0.0342","0.0336","","","0.0864","0.087","","","","","","1.075","","","","has coordinates,has disorder","295377","2024-10-09","01:25:26",""
"7249453","7.629","0.0001","7.6702","0.0001","14.1025","0.0004","94.2128","0.0019","99.531","0.002","98.0165","0.0016","801.93","0.03","95","","95","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H18 Cl N2 O2 P S2 -","- C12 H18 Cl N2 O2 P S2 -","- C24 H36 Cl2 N4 O4 P2 S4 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane","Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes","RSC Advances","2024","14","44","32206","32220","10.1039/D4RA05281A","","","1.54184","CuKα","","0.0258","0.0255","","0.0713","0.071","0.0713","","","","","","0.9743","","","","has coordinates","295471","2024-10-13","00:55:42",""
"7249454","7.8502","0.0002","10.1868","0.0004","11.6914","0.0004","113.275","0.003","97.462","0.003","97.123","0.003","835.66","0.05","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H17 Cl N2 Ni0.5 O2 P S2 -","- C12 H17 Cl N2 Ni0.5 O2 P S2 -","- C24 H34 Cl2 N4 Ni O4 P2 S4 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane","Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes","RSC Advances","2024","14","44","32206","32220","10.1039/D4RA05281A","","","1.54184","CuKα","","0.0534","0.0496","","0.1414","0.1338","0.1414","","","","","","1.0003","","","","has coordinates","295471","2024-10-13","00:55:43",""
"7249455","8.2171","0.0003","9.9942","0.0004","11.1612","0.0004","113.611","0.003","93.655","0.003","92.926","0.003","835.21","0.06","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H20 N2 Ni0.5 O2 P S2 -","- C13 H20 N2 Ni0.5 O2 P S2 -","- C26 H40 N4 Ni O4 P2 S4 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane","Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes","RSC Advances","2024","14","44","32206","32220","10.1039/D4RA05281A","","","1.5418","CuKα","","0.049","0.045","","0.1393","0.1332","0.1393","","","","","","0.9943","","","","has coordinates","295471","2024-10-13","00:55:43",""
"7249456","5.8046","0.0002","10.7878","0.0002","13.3907","0.0003","81.0002","0.0018","83.334","0.002","89.276","0.002","822.58","0.04","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H21 N2 O2 P S2 -","- C13 H21 N2 O2 P S2 -","- C26 H42 N4 O4 P2 S4 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane","Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes","RSC Advances","2024","14","44","32206","32220","10.1039/D4RA05281A","","","1.54184","CuKα","","0.0328","0.0308","","0.0965","0.0877","0.0965","","","","","","1.0378","","","","has coordinates","295471","2024-10-13","00:55:44",""
"7249457","26.4492","0.001","16.7231","0.0006","5.3699","0.0002","90","","94.146","0.004","90","","2368.96","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H19 F3 N2 O2 -","- C33 H19 F3 N2 O2 -","- C132 H76 F12 N8 O8 -","4","1","","Chen, Meiling; Chen, Yuzhuo; Zhang, Ting; Zhang, Hua; Xiao, Zhiwen; Su, Zhongzhen; Wu, Yunan","Molecular design and functional outcomes of RTP and TADF traits in isomers","RSC Advances","2024","14","44","32221","32228","10.1039/D4RA05807K","","x-ray","1.54184","CuKα","","0.1138","0.0901","","","0.2456","0.267","","","","","","1.07","","","","has coordinates","295472","2024-10-13","00:56:07",""
"7249458","9.9594","0.0003","7.892","0.0002","32.1717","0.0009","90","","93.018","0.002","90","","2525.18","0.12","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H19 F3 N2 O2 -","- C33 H19 F3 N2 O2 -","- C132 H76 F12 N8 O8 -","4","1","","Chen, Meiling; Chen, Yuzhuo; Zhang, Ting; Zhang, Hua; Xiao, Zhiwen; Su, Zhongzhen; Wu, Yunan","Molecular design and functional outcomes of RTP and TADF traits in isomers","RSC Advances","2024","14","44","32221","32228","10.1039/D4RA05807K","","","1.54184","CuKα","","0.076","0.0628","","","0.1616","0.1715","","","","","","1.049","","","","has coordinates","295472","2024-10-13","00:56:08",""
"7249459","14.1951","0.0003","10.5832","0.0002","17.5467","0.0003","90","","98.318","0.002","90","","2608.3","0.09","292.9","0.3","292.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 F3 N2 O2 -","- C33 H19 F3 N2 O2 -","- C132 H76 F12 N8 O8 -","4","1","","Chen, Meiling; Chen, Yuzhuo; Zhang, Ting; Zhang, Hua; Xiao, Zhiwen; Su, Zhongzhen; Wu, Yunan","Molecular design and functional outcomes of RTP and TADF traits in isomers","RSC Advances","2024","14","44","32221","32228","10.1039/D4RA05807K","","x-ray","1.54184","CuKα","","0.0772","0.0643","","","0.1798","0.1967","","","","","","1.048","","","","has coordinates","295472","2024-10-13","00:56:08",""
"7249461","17.648","0.003","30.273","0.005","22.438","0.004","90","","90","","90","","11988","4","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H18 Eu F18 N3 O6 -","- C36 H18 Eu F18 N3 O6 -","- C432 H216 Eu12 F216 N36 O72 -","12","3","","Al-Sharji, Houda; Ilmi, Rashid; Oliveira, Willyan F.; Al-Saadi, Balqees S.; Dutra, José D. L.; Abou-Zied, Osama K.; Raithby, Paul R.; Khan, Muhammad S.","Deciphering intersystem crossing and energy transfer mechanisms in a nonacoordinated ternary europium(iii) complex: a combined spectroscopic and theoretical study","RSC Advances","2024","14","44","32573","32582","10.1039/D4RA06727D","","","0.71073","MoKα","","0.1048","0.0954","","","0.2334","0.2444","","","","","","1.079","","","","has coordinates,has disorder","295500","2024-10-16","01:15:03",""
"7249462","8.2136","0.0001","12.8837","0.0002","9.3506","0.0002","90","","97.325","0.001","90","","981.42","0.03","194","2","194","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N6 -","- C24 H22 N6 -","- C48 H44 N12 -","2","0.5","","Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri","Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties","RSC Advances","2024","14","44","32655","32660","10.1039/D4RA06058J","","","0.71073","MoKα","","0.0444","0.0405","","","0.1073","0.1116","","","","","","1.044","","","","has coordinates","295515","2024-10-17","01:09:36",""
"7249463","7.9002","0.0008","11.6313","0.0012","14.4637","0.0014","90","","90.13","0.003","90","","1329.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl4 N6 Zn2 -","- C24 H22 Cl4 N6 Zn2 -","- C48 H44 Cl8 N12 Zn4 -","2","0.5","","Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri","Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties","RSC Advances","2024","14","44","32655","32660","10.1039/D4RA06058J","","","0.71073","MoKα","","0.0892","0.0747","","","0.1247","0.1295","","","","","","1.161","","","","has coordinates","295515","2024-10-17","01:09:37",""
"7249464","8.1556","0.0004","11.6931","0.0007","14.6784","0.0008","90","","90.389","0.002","90","","1399.76","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Br4 N6 Zn2 -","- C24 H22 Br4 N6 Zn2 -","- C48 H44 Br8 N12 Zn4 -","2","0.5","","Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri","Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties","RSC Advances","2024","14","44","32655","32660","10.1039/D4RA06058J","","","0.71073","MoKα","","0.0509","0.0338","","","0.0682","0.0787","","","","","","1.131","","","","has coordinates","295515","2024-10-17","01:09:37",""
"7249465","7.9366","0.0006","19.2414","0.0016","11.2733","0.0009","90","","96.936","0.002","90","","1709","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl2 N6 O12 Zn -","- C28 H38 Cl2 N6 O12 Zn -","- C56 H76 Cl4 N12 O24 Zn2 -","2","0.5","","Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri","Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties","RSC Advances","2024","14","44","32655","32660","10.1039/D4RA06058J","","","0.71073","MoKα","","0.0421","0.036","","","0.0924","0.0981","","","","","","1.054","","","","has coordinates","295515","2024-10-17","01:09:38",""
"7249466","14.9058","0.0003","10.4325","0.0002","20.5991","0.0004","90","","109.478","0.001","90","","3019.93","0.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 I4 N6 Zn2 -","- C24 H22 I4 N6 Zn2 -","- C96 H88 I16 N24 Zn8 -","4","1","","Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri","Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties","RSC Advances","2024","14","44","32655","32660","10.1039/D4RA06058J","","","0.71073","MoKα","","0.0419","0.034","","","0.0705","0.0739","","","","","","1.031","","","","has coordinates","295515","2024-10-17","01:09:38",""
"7249467","10.9854","0.0009","12.5818","0.0011","25.124","0.002","81.71","0.002","80.594","0.003","75.975","0.002","3303.8","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H68 Cl4 N12 O22 Zn2 -","- C54 H68 Cl4 N12 O22.003 Zn2 -","- C108 H136 Cl8 N24 O44.006 Zn4 -","2","1","","Kwon, So Hyeon; Lee, Sunwoo; Tessarolo, Jacopo; Lee, Haeri","Stimuli-responsive Zn(ii) complexes showing the structural conversion and on/off switching of catalytic properties","RSC Advances","2024","14","44","32655","32660","10.1039/D4RA06058J","","","0.71073","MoKα","","0.0933","0.057","","","0.116","0.1334","","","","","","1.074","","","","has coordinates,has disorder","295515","2024-10-17","01:09:38",""
"7249481","12.2065","0.0013","15.7058","0.0016","14.4096","0.0015","90","","104.927","0.004","90","","2669.3","0.5","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 N16 O20 U4 -","- C32 H46 N16 O20 U4 -","- C64 H92 N32 O40 U8 -","2","0.5","","S., Nakul; R., Bhagavathish; Kulkarni, Naveen V.; Patil, Ajeetkumar; Arakera, Suresh B.; John, Sam","Synthesis and characterization of novel uranyl clusters supported by bis(pyrazolyl) methane ligands: biomimetic catalytic oxidation, BSA protein interaction and cytotoxicity studies","RSC Advances","2024","14","45","32802","32817","10.1039/D4RA06347C","","","0.71073","MoKα","","0.087","0.0509","","","0.0934","0.1048","","","","","","1.054","","","","has coordinates","295562","2024-10-20","01:16:32",""
"7249482","8.4881","0.0017","9.075","0.0018","14.96","0.003","93.295","0.006","105.306","0.006","92.251","0.006","1107.9","0.4","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H24 Cu I2 N8 O6 -","- C42 H24 Cu I2 N8 O6 -","- C42 H24 Cu I2 N8 O6 -","1","0.5","","Paul, Eshani; Raza, Rameez; Dhara, Subrata Ranjan; Baildya, Nabajyoti; Ghosh, Kumaresh","6-Aminocoumarin-derived Schiff base gelators: aggregation and sensing of CN−, Fe3+, Cu2+ and CO2 under different conditions","RSC Advances","2024","14","45","32759","32770","10.1039/D4RA05503A","","","0.71073","MoKα","","0.1975","0.1089","","","0.1656","0.1987","","","","","","1.062","","","","has coordinates","295563","2024-10-20","01:16:44",""
"7249490","10.137","0.002","11.456","0.003","13.238","0.003","113.447","0.009","91.736","0.01","95.668","0.01","1399.4","0.6","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","RN_BP_BDS110","","- C36 H29 Cl2 N3 -","- C35 H27 N3 -","- C70 H54 N6 -","2","1","","Das, Barnali; Bhattacharyya, Arghyadeep; Paul, Bhaswati; Natarajan, Ramalingam; Majumdar, Swapan","An elegant approach for the synthesis of multisubstituted imidazole <i>via</i> FeCl<sub>3</sub>/SiO<sub>2</sub> catalyzed activation of acetals: a photophysical study of an imidazole-carbazole hybrid.","RSC advances","2024","14","45","33512","33523","10.1039/d4ra06436d","","x-ray","1.54178","CuKα","","0.0692","0.0649","","","0.2066","0.212","","","","","","1.033","","","","has coordinates","295602","2024-10-24","01:01:28",""
"7249516","7.7958","0.0004","6.4753","0.0003","22.4577","0.0012","90","","90.521","0.002","90","","1133.62","0.1","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Br Cl N5 O2 -","- C8 H9 Br Cl N5 O2 -","- C32 H36 Br4 Cl4 N20 O8 -","4","1","","Naskar, Shibu; Mal, Susital; Shivangi, Shivangi; Das, Subrata","A rapid and scalable method for visible light induced bromination of uracil derivatives in a falling film looping photoreactor","RSC Advances","2024","14","47","34925","34937","10.1039/D4RA05774K","","","0.71073","MoKα","","0.0381","0.0376","","","0.1051","0.1056","","","","","","1.156","","","","has coordinates","295725","2024-11-02","02:03:46",""
"7249517","4.6708","0.0005","15.134","0.001","13.5776","0.0008","90","","92.765","0.007","90","","958.65","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Br Cl N2 O2 -","- C7 H8 Br Cl N2 O2 -","- C28 H32 Br4 Cl4 N8 O8 -","4","1","","Naskar, Shibu; Mal, Susital; Shivangi, Shivangi; Das, Subrata","A rapid and scalable method for visible light induced bromination of uracil derivatives in a falling film looping photoreactor","RSC Advances","2024","14","47","34925","34937","10.1039/D4RA05774K","","x-ray","0.71073","MoKα","","0.0787","0.047","","","0.0944","0.1076","","","","","","1.004","","","","has coordinates","295725","2024-11-02","02:03:47",""
"7249518","10.9173","0.0007","8.5748","0.0004","8.1733","0.0005","90","","109.345","0.007","90","","721.93","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Br Cl N2 O2 -","- C5 H4 Br Cl N2 O2 -","- C20 H16 Br4 Cl4 N8 O8 -","4","1","","Naskar, Shibu; Mal, Susital; Shivangi, Shivangi; Das, Subrata","A rapid and scalable method for visible light induced bromination of uracil derivatives in a falling film looping photoreactor","RSC Advances","2024","14","47","34925","34937","10.1039/D4RA05774K","","x-ray","0.71073","MoKα","","0.0427","0.0416","","","0.1014","0.1034","","","","","","1.096","","","","has coordinates","295725","2024-11-02","02:03:47",""
"7249536","4.7062","0.0004","23.5001","0.0018","6.3164","0.0005","90","","107.641","0.001","90","","665.72","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-Benzylsulfinyl-1-methyl-1H-benzo[d]imidazole","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C30 H28 N4 O2 S2 -","2","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Investigation of the titanium-mediated catalytic enantioselective oxidation of aryl benzyl sulfides containing heterocyclic groups","RSC Advances","2024","14","47","35105","35113","10.1039/D4RA07088G","","","0.71073","MoKα","","0.0481","0.0446","","","0.1116","0.1142","","","","","","1.094","","","","has coordinates","295771","2024-11-05","02:06:41",""
"7249537","8.188","0.0004","7.0323","0.0004","12.3527","0.0007","90","","102.82","0.03","90","","693.54","0.11","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2,3,4,5,6-pentafluorobenzylsulfinyl)-1H-benzo[d]imidazole","","- C14 H7 F5 N2 O S -","- C14 H7 F5 N2 O S -","- C28 H14 F10 N4 O2 S2 -","2","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Investigation of the titanium-mediated catalytic enantioselective oxidation of aryl benzyl sulfides containing heterocyclic groups","RSC Advances","2024","14","47","35105","35113","10.1039/D4RA07088G","","","0.71073","MoKα","","0.0361","0.0351","","","0.0965","0.0976","","","","","","1.056","","","","has coordinates","295771","2024-11-05","02:06:53",""
"7249538","5.4947","0.0011","9.2154","0.0018","23.473","0.005","90","","90","","90","","1188.6","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2,3,4,5,6-pentafluorobenzylsulfinyl)thiophene","","- C11 H5 F5 O S2 -","- C11 H5 F5 O S2 -","- C44 H20 F20 O4 S8 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Investigation of the titanium-mediated catalytic enantioselective oxidation of aryl benzyl sulfides containing heterocyclic groups","RSC Advances","2024","14","47","35105","35113","10.1039/D4RA07088G","","","0.71073","MoKα","","0.042","0.0407","","","0.1218","0.1236","","","","","","1.078","","","","has coordinates","295771","2024-11-05","02:06:56",""
"7249539","13.2625","0.001","13.2625","0.001","12.4674","0.001","90","","90","","120","","1899.1","0.3","296","2","296","2","","","","","","","","5","P 64","P 64","172","","Benzylsulfinyl-1H-benzo[d]imidazole","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C84 H72 N12 O6 S6 -","6","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","Investigation of the titanium-mediated catalytic enantioselective oxidation of aryl benzyl sulfides containing heterocyclic groups","RSC Advances","2024","14","47","35105","35113","10.1039/D4RA07088G","","","0.71073","MoKα","","0.1141","0.0659","","","0.0907","0.1026","","","","","","1.096","","","","has coordinates","295771","2024-11-05","02:06:57",""
"7249551","17.9401","0.0007","11.5274","0.0005","18.6602","0.0007","90","","109.066","0.0012","90","","3647.3","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N2 O15 Tb2 -","- C34 H36 N2 O15 Tb2 -","- C136 H144 N8 O60 Tb8 -","4","0.5","","Liu, Ching-Ping; Lin, Ting-En; Chiang, Jung-Chang; Chen, Bo-Jhen; Chien, Po-Hsiu; Chien, Su-Ying; Lee, Gene-Hsiang; Liu, Yen-Hsiang; Lu, Kuang-Lieh","An exceptional water stable terbium-based metal–organic framework for selective detection of pesticides","RSC Advances","2024","14","47","35220","35226","10.1039/D4RA06622G","","","0.71073","MoKα","","0.0347","0.0307","","","0.0711","0.0738","","","","","","1.279","","","","has coordinates,has disorder","295790","2024-11-06","02:16:59",""
"7249558","13.395","0.003","13.251","0.003","9.036","0.002","90","","98.213","0.004","90","","1587.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 O2 Te -","- C16 H14 Cl2 O2 Te -","- C64 H56 Cl8 O8 Te4 -","4","1","","Singh, Puspendra; Khan, Mariya; Duthie, Andrew; Butcher, Ray J.","Synthesis and characterization of carbonyl functionalized organotellurium(iv) derivatives","RSC Advances","2024","14","48","35650","35656","10.1039/D4RA06023G","","","0.71073","MoKα","","0.0255","0.0224","","","0.057","0.0586","","","","","","1.04","","","","has coordinates","295849","2024-11-09","02:04:17",""
"7249559","8.389","0.005","12.312","0.005","8.461","0.005","90","0.005","116.32","0.005","90","0.005","783.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl2 O2 Te -","- C14 H18 Cl2 O2 Te -","- C28 H36 Cl4 O4 Te2 -","2","1","","Singh, Puspendra; Khan, Mariya; Duthie, Andrew; Butcher, Ray J.","Synthesis and characterization of carbonyl functionalized organotellurium(iv) derivatives","RSC Advances","2024","14","48","35650","35656","10.1039/D4RA06023G","","","0.71073","MoKα","","0.0344","0.0292","","","0.0569","0.0601","","","","","","1.019","","","","has coordinates","295849","2024-11-09","02:04:18",""
"7249560","8.7845","0.0004","19.5434","0.0008","11.0751","0.0005","90","","97.679","0.004","90","","1884.31","0.14","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl2 O2 Te -","- C19 H20 Cl2 O2 Te -","- C76 H80 Cl8 O8 Te4 -","4","1","","Singh, Puspendra; Khan, Mariya; Duthie, Andrew; Butcher, Ray J.","Synthesis and characterization of carbonyl functionalized organotellurium(iv) derivatives","RSC Advances","2024","14","48","35650","35656","10.1039/D4RA06023G","","","0.71073","MoKα","","0.0515","0.0345","","","0.0652","0.0707","","","","","","1.088","","","","has coordinates","295849","2024-11-09","02:04:18",""
"7249561","19.262","0.003","4.9631","0.0009","30.819","0.005","90","","98.509","0.003","90","","2913.8","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22.67 H18.67 N2.67 O1.33 S1.33 -","- C22.6667 H18.6667 N2.66667 O1.33333 S1.33333 -","- C136 H112 N16 O8 S8 -","6","0.75","","Aggarwal, Ranjana; Sharma, Shilpa; Jain, Naman; Sanz, Dionisia; Claramunt, Rosa M.; Delgado, Patricia; Torralba, M. Carmen","Reaction of unsymmetrical α-bromo-1,3-diketones with N-substituted thioureas: regioselective access to 2-(N-arylamino)-5-acyl-4-methylthiazoles and/or rearranged 2-(N-acylimino)-3-N-aryl-4-methylthiazoles","RSC Advances","2024","14","48","35585","35600","10.1039/D4RA05436A","","","0.71073","MoKα","","0.1173","0.058","","","0.1336","0.1535","","","","","","0.967","","","","has coordinates,has disorder","295850","2024-11-09","02:04:51",""
"7249562","9.4627","0.001","9.6608","0.001","11.0027","0.0011","107.81","0.002","110.578","0.002","96.95","0.002","866.57","0.16","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C36 H30 Cl2 N4 O4 S2 -","2","1","","Aggarwal, Ranjana; Sharma, Shilpa; Jain, Naman; Sanz, Dionisia; Claramunt, Rosa M.; Delgado, Patricia; Torralba, M. Carmen","Reaction of unsymmetrical α-bromo-1,3-diketones with N-substituted thioureas: regioselective access to 2-(N-arylamino)-5-acyl-4-methylthiazoles and/or rearranged 2-(N-acylimino)-3-N-aryl-4-methylthiazoles","RSC Advances","2024","14","48","35585","35600","10.1039/D4RA05436A","","","0.71073","MoKα","","0.0994","0.048","","","0.1115","0.1292","","","","","","0.97","","","","has coordinates","295850","2024-11-09","02:04:53",""
"7249563","20.1281","0.0015","6.9154","0.0005","11.345","0.0009","90","","90","","90","","1579.2","0.2","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H16 N2 O S -","- C18 H16 N2 O S -","- C72 H64 N8 O4 S4 -","4","0.5","","Aggarwal, Ranjana; Sharma, Shilpa; Jain, Naman; Sanz, Dionisia; Claramunt, Rosa M.; Delgado, Patricia; Torralba, M. Carmen","Reaction of unsymmetrical α-bromo-1,3-diketones with N-substituted thioureas: regioselective access to 2-(N-arylamino)-5-acyl-4-methylthiazoles and/or rearranged 2-(N-acylimino)-3-N-aryl-4-methylthiazoles","RSC Advances","2024","14","48","35585","35600","10.1039/D4RA05436A","","","0.71073","MoKα","","0.088","0.0441","","","0.1198","0.1377","","","","","","1.004","","","","has coordinates,has disorder","295850","2024-11-09","02:04:53",""
"7249591","14.7703","0.0005","9.2488","0.0003","26.0606","0.0008","90","","90","","90","","3560.1","0.2","101","2","101","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H30 Cl4 Cu2 N10 S4 -","- C28 H30 Cl4 Cu2 N10 S4 -","- C112 H120 Cl16 Cu8 N40 S16 -","4","1","","Rogalewicz, B.; Sierański, T; Szczesio, M.; Olczak, A.; Gobis, K.; Orlewska, C.; Korona-Głowniak, I; Korga-Plewko, A; Iwan, M.; Michalczuk, M.; Kubik, J.; Adamczuk, G.; Korga, M.; Rutkowska, N.; Boruta, T.; Gas, K.; Sawicki, M.; Poleszak, E.; Maniukiewicz, W.; Świątkowski, M; Czylkowska, A.","Physicochemical properties and mechanism of action of a new copper(ii) pyrazine-based complex with high anticancer activity and selectivity towards cancer cells.","RSC advances","2024","14","49","36295","36307","10.1039/d4ra06874b","","x-ray","0.71073","MoKα","","0.0551","0.0475","","","0.1005","0.1026","","","","","","1.039","","","","has coordinates","295913","2024-11-14","02:16:11",""
"7249592","6.9582","0.0003","7.7761","0.0004","34.9263","0.0015","88.781","0.004","89.088","0.003","89.979","0.004","1889.11","0.15","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C46 H62 -","- C46 H62 -","- C92 H124 -","2","1","","Yang, Tengzhou; Zhang, Liang; Bao, Yucong; Wei, Haoming","Dialkylated dibenzo[a,h]anthracenes for solution-processable organic thin-film transistors","RSC Advances","2024","14","49","36390","36397","10.1039/D4RA07439D","","x-ray","1.54184","CuKα","","0.1679","0.1174","","","0.3056","0.3415","","","","","","1.088","","","","has coordinates","295926","2024-11-15","02:06:31",""
"7249593","25.7538","0.0005","5.7788","0.0001","25.3638","0.0004","90","","112.982","0.002","90","","3475.18","0.12","289","1","289","1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 -","- C44 H54 -","- C176 H216 -","4","0.5","","Yang, Tengzhou; Zhang, Liang; Bao, Yucong; Wei, Haoming","Dialkylated dibenzo[a,h]anthracenes for solution-processable organic thin-film transistors","RSC Advances","2024","14","49","36390","36397","10.1039/D4RA07439D","","x-ray","1.54184","CuKα","","0.0863","0.0782","","","0.2576","0.2708","","","","","","1.132","","","","has coordinates","295926","2024-11-15","02:06:31",""
"7249594","25.8074","0.0013","4.65278","0.00014","26.1585","0.0013","90","","116.535","0.006","90","","2810.1","0.3","99.97","0.15","99.97","0.15","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 F3 N3 O3 -","- C15 H12 F3 N3 O3 -","- C120 H96 F24 N24 O24 -","8","2","","Hu, Ming-Cheng; Zhou, Hai-Tao; Fang, Yu-Chen; Zhang, Li-Ren; Cui, Bao-Dong; Chen, Yong-Zheng; Bai, Mei","In situ generated CF3CHN2 with 3-ylideneoxindoles to access CF3-containing pyrazolo[1,5-c]quinazolines derivatives","RSC Advances","2024","14","49","36410","36415","10.1039/D4RA06651K","","x-ray","1.54184","CuKα","","0.1181","0.1144","","","0.3068","0.3085","","","","","","1.108","","","","has coordinates","295927","2024-11-15","02:06:54",""
"7249598","13.4291","0.0006","4.1088","0.0002","16.6768","0.0007","90","","90","","90","","920.18","0.07","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H7 Br N2 -","- C11 H7 Br N2 -","- C44 H28 Br4 N8 -","4","1","","Li, Yingqian; Liu, Yali; Hao, Di; Xu, Liang; Liu, Ping","Regioselective bromination of pyrrolo[1,2-a]quinoxalines","RSC Advances","2024","14","49","36488","36496","10.1039/D4RA07358D","","","1.54178","CuKα","","0.0309","0.028","","","0.0635","0.0659","","","","","","1.053","","","","has coordinates","295960","2024-11-16","02:08:09",""
"7249600","10.7755","0.0006","26.7963","0.0015","12.0718","0.0006","90","","102.178","0.003","90","","3407.2","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-(4-nitrophenyl)methanimine","","- C20 H13 Cl N4 O2 -","- C20 H13 Cl N4 O2 -","- C160 H104 Cl8 N32 O16 -","8","2","","Azzouzi, Mohamed; Ouchaoui, Abderrahim Ait; Azougagh, Omar; El Hadad, Salah Eddine; Abou-salama, Mohamed; Oussaid, Adyl; Pannecouque, Christophe; Rohand, Taoufik","Synthesis, crystal structure, and antiviral evaluation of new imidazopyridine-schiff base derivatives: in vitro and in silico anti-HIV studies","RSC Advances","2024","14","50","36902","36918","10.1039/D4RA07561G","","x-ray","1.34139","GaKα","","0.0508","0.0407","","","0.1019","0.1088","","","","","","1.064","","","","has coordinates","296002","2024-11-20","02:01:23",""
"7249626","9.7936","0.0009","9.8228","0.0008","16.0752","0.0014","95.357","0.003","96.286","0.004","107.679","0.003","1451.4","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 O7 -","- C34 H30 O7 -","- C68 H60 O14 -","2","1","","Ponraj, Pravinkamaraj; Rajendran, Saravanakumar","Design and synthesis of a novel curcumin–combretastatin A4 molecular skeleton: two pharmacophores","RSC Advances","2024","14","50","37227","37233","10.1039/D4RA06618A","","","0.71073","MoKα","","0.1024","0.0504","","","0.1154","0.1493","","","","","","1.046","","","","has coordinates,has disorder","296040","2024-11-21","02:27:39",""
"7249636","8.0588","0.0002","12.1638","0.0003","25.1238","0.0006","90","","90","","90","","2462.78","0.1","180","","180","","","","101","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O4 S -","- C27 H33 N O4 S -","- C108 H132 N4 O16 S4 -","4","1","","Boháček, Vojtěch; Erbenová, Tereza; Malina, Jakub Dávid; Kloubcová, Marie; Šmahel, Michal; Eigner, Václav; T°uma, Jiří","Spectroscopic and photochemical evaluation of stereochemically biased 3′-substituted spiropyran photoswitches","RSC Advances","2024","14","50","37370","37379","10.1039/D4RA07750D","","","1.54178","CuKα","","0.0316","0.0309","","0.0829","0.0822","0.0829","","","","","","0.9793","","","","has coordinates,has disorder","296057","2024-11-22","02:20:18",""
"7249637","10.793","0.0008","10.793","0.0008","10.793","0.0008","90","","90","","90","","1257.26","0.16","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cs2AgBiCl6","","- Ag Bi Cl6 Cs2 -","- Ag Bi Cl6 Cs2 -","- Ag4 Bi4 Cl24 Cs8 -","4","0.0208333","","Gao, Huidan; Wang, Chen; Shen, Huimeng; Zhou, Huawei; Zhang, Xianxi","Crystal structure, bandgap, photoluminescence and resistivity properties of double perovskite Cs2AgBiCl6 single crystal and its thin film","RSC Advances","2024","14","50","37322","37329","10.1039/D4RA06936F","","","0.71073","MoKα","","0.1557","0.1119","","","0.2493","0.2716","","","","","","1.161","","","","has coordinates","296058","2024-11-22","02:20:52",""
"7249651","7.0109","0.0012","9.4488","0.0015","14.183","0.002","106.746","0.002","90.909","0.002","103.745","0.002","870.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Fe4 Mo4 N4 O20 -","- C20 H24 Fe4 Mo4 N4 O20 -","- C20 H24 Fe4 Mo4 N4 O20 -","1","0.5","","Li, Xin; Zu, Mohan; Yan, Linzhuo; Zhao, Qiang; Liu, Liu","Synthesis of a highly stable Mo–Fe bimetallic metal–organic framework and its catalytic activity for the selective oxidation of sulfides under mild conditions","RSC Advances","2024","14","51","38002","38008","10.1039/D4RA06324D","","","0.71073","MoKα","","0.0483","0.0444","","","0.1471","0.1549","","","","","","1.06","","","","has coordinates,has disorder","296155","2024-11-29","02:03:02",""
"7249696","13.4568","0.0002","16.4098","0.0002","8.2521","0.0001","90","","94.707","0.001","90","","1816.11","0.04","119.9","0.5","119.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F2 N O -","- C23 H19 F2 N O -","- C92 H76 F8 N4 O4 -","4","1","","Sato, Kazuyuki; Kuroki, Tomohiro; Minami, Haruka; Sato, Azusa; Karuo, Yukiko; Tarui, Atsushi; Kawai, Kentaro; Omote, Masaaki","Electrophilic aromatic substitution using fluorinated isoxazolines at the C5 position via C–F bond cleavage","RSC Advances","2024","14","53","39543","39549","10.1039/D4RA07102F","","x-ray","1.54184","CuKα","","0.0479","0.045","","","0.1061","0.1079","","","","","","1.086","","","","has coordinates","296887","2024-12-17","02:09:23",""
"7249697","17.3894","0.0002","6.2137","0.0001","16.7372","0.0002","90","","96.21","0.001","90","","1797.88","0.04","120","0.4","120","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 F2 N O -","- C23 H19 F2 N O -","- C92 H76 F8 N4 O4 -","4","1","","Sato, Kazuyuki; Kuroki, Tomohiro; Minami, Haruka; Sato, Azusa; Karuo, Yukiko; Tarui, Atsushi; Kawai, Kentaro; Omote, Masaaki","Electrophilic aromatic substitution using fluorinated isoxazolines at the C5 position via C–F bond cleavage","RSC Advances","2024","14","53","39543","39549","10.1039/D4RA07102F","","x-ray","1.54184","CuKα","","0.0404","0.0379","","","0.0895","0.0912","","","","","","1.078","","","","has coordinates","296887","2024-12-17","02:09:24",""
"7249698","8.1405","0.0001","12.0794","0.0001","17.1421","0.0003","96.31","0.001","97.164","0.001","93.991","0.001","1656.39","0.04","120","0.5","120","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F2 N2 O -","- C20 H16 F2 N2 O -","- C80 H64 F8 N8 O4 -","4","2","","Sato, Kazuyuki; Kuroki, Tomohiro; Minami, Haruka; Sato, Azusa; Karuo, Yukiko; Tarui, Atsushi; Kawai, Kentaro; Omote, Masaaki","Electrophilic aromatic substitution using fluorinated isoxazolines at the C5 position via C–F bond cleavage","RSC Advances","2024","14","53","39543","39549","10.1039/D4RA07102F","","x-ray","1.54184","CuKα","","0.0547","0.0486","","","0.1357","0.1394","","","","","","1.066","","","","has coordinates,has disorder","296887","2024-12-17","02:09:24",""
"7249708","7.2517","0.0002","21.6583","0.0005","8.7412","0.0003","90","","112.434","0.003","90","","1268.99","0.07","301.09","0.1","301.09","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C11 H17 N5 O4 -","- C11 H17 N5 O4 -","- C44 H68 N20 O16 -","4","1","","Li, Qi; Xie, Yifei; Wang, Zhipeng; Li, Shuang; Yang, Shiying; Yang, Dezhi; Zhang, Li; Du, Guanhua; Lu, Yang","Optimization of physicochemical properties of theophylline by forming cocrystals with amino acids","RSC Advances","2024","14","54","40006","40017","10.1039/D4RA06804A","","x-ray","1.54184","CuKα","","0.0423","0.0416","","","0.1127","0.1139","","","","","","1.085","","","","has coordinates","296939","2024-12-21","02:00:46",""
"7249709","5.8709","0.0002","7.714","0.0003","11.1553","0.0003","72.564","0.003","81.718","0.003","72.804","0.003","459.59","0.03","301.9","0.5","301.9","0.5","","","","","","","","4","P 1","P 1","1","","","","- C13 H26 N8 O6 -","- C13 H26 N8 O6 -","- C13 H26 N8 O6 -","1","1","","Li, Qi; Xie, Yifei; Wang, Zhipeng; Li, Shuang; Yang, Shiying; Yang, Dezhi; Zhang, Li; Du, Guanhua; Lu, Yang","Optimization of physicochemical properties of theophylline by forming cocrystals with amino acids","RSC Advances","2024","14","54","40006","40017","10.1039/D4RA06804A","","x-ray","1.54184","CuKα","","0.0486","0.043","","","0.1155","0.1198","","","","","","1.06","","","","has coordinates","296939","2024-12-21","02:00:49",""
"7249710","8.3972","0.0012","32.451","0.005","6.6411","0.0011","90","","94.071","0.005","90","","1805.1","0.5","100","2","100","2","","","","","","","synthetical product","7","C 1 c 1","C -2yc","9","trans-dichloro-[2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxa-zol-2-yl)phenolato-N,O]-dimethylthio-oxo-rhenium(V)","trans-dichloro-[2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxa-zol-2-yl)phenolato-N,O]-dimethylthio-oxo-rhenium(V)","","- C13 H16 Cl4 N O3 Re S -","- C13 H16 Cl4 N O3 Re S -","- C52 H64 Cl16 N4 O12 Re4 S4 -","4","1","","Gradenegger, A.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N. C.","An oxidorhenium(v) complex with an electron-withdrawing ligand: benefits and drawbacks for a dual role catalyst","RSC Advances","2024","14","54","40058","40068","10.1039/D4RA07391F","","","0.71073","MoKα","","0.0349","0.0298","","","0.0663","0.069","","","","","","1.034","","","","has coordinates","296957","2024-12-24","02:16:22",""
"7249711","11.6314","0.0005","20.2311","0.0009","12.6581","0.0006","90","","101.269","0.002","90","","2921.2","0.2","100","2","100","2","","","","","","","synthetical product","7","P 1 21/n 1","-P 2yn","14","cis-dichloro-[2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxa-zol-2-yl)phenolato-N,O]-oxo-(triphenylphosphine oxide-O)-rhenium(V)","cis-dichloro-[2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxa-zol-2-yl)phenolato-N,O]-oxo-(triphenylphosphine oxide-O)-rhenium(V)","","- C29 H25 Cl4 N O4 P Re -","- C29 H25 Cl4 N O4 P Re -","- C116 H100 Cl16 N4 O16 P4 Re4 -","4","1","","Gradenegger, A.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N. C.","An oxidorhenium(v) complex with an electron-withdrawing ligand: benefits and drawbacks for a dual role catalyst","RSC Advances","2024","14","54","40058","40068","10.1039/D4RA07391F","","","0.71073","MoKα","","0.0512","0.0343","","","0.0732","0.0789","","","","","","1.014","","","","has coordinates","296957","2024-12-24","02:16:30",""
"7249712","7.4471","0.0009","23.852","0.004","6.8468","0.0008","90","","107.136","0.007","90","","1162.2","0.3","100","2","100","2","","","","","","","synthetical product","5","C 1 c 1","C -2yc","9","2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenol","2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenol","","- C11 H11 Cl2 N O2 -","- C11 H11 Cl2 N O2 -","- C44 H44 Cl8 N4 O8 -","4","1","","Gradenegger, A.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N. C.","An oxidorhenium(v) complex with an electron-withdrawing ligand: benefits and drawbacks for a dual role catalyst","RSC Advances","2024","14","54","40058","40068","10.1039/D4RA07391F","","","0.71073","MoKα","","0.0505","0.0365","","","0.0713","0.0762","","","","","","1.008","","","","has coordinates","296957","2024-12-24","02:16:41",""
"7249713","11.0483","0.0015","12.4028","0.0017","37.115","0.005","90","","93.108","0.006","90","","5078.4","1.2","100","2","100","2","","","","","","","synthetical product","6","P 1 21/n 1","-P 2yn","14","chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4,6-dichlo-rophenolato-N,O]-oxo-rhenium(V)","chloro-bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4,6-dichlo-rophenolato-N,O]-oxo-rhenium(V)","","- C22 H20 Cl5 N2 O5 Re -","- C22 H20 Cl5 N2 O5 Re -","- C176 H160 Cl40 N16 O40 Re8 -","8","2","","Gradenegger, A.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N. C.","An oxidorhenium(v) complex with an electron-withdrawing ligand: benefits and drawbacks for a dual role catalyst","RSC Advances","2024","14","54","40058","40068","10.1039/D4RA07391F","","","0.71073","MoKα","","0.0546","0.0447","","","0.111","0.1147","","","","","","1.007","","","","has coordinates","296957","2024-12-24","02:16:49",""
"7249714","16.202","0.003","16.335","0.003","18.805","0.003","90","","90","","90","","4976.9","1.5","100","2","100","2","","","","","","","synthetical product","6","P c c n","-P 2ab 2ac","56","bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4,6-dichlo-rophenolato-N,O]-dioxo-rhenium(VI)","bis[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-4,6-dichlo-rophenolato-N,O]-dioxo-rhenium(VI)","","- C22 H20 Cl4 N2 O6 Re -","- C22 H20 Cl4 N2 O6 Re -","- C176 H160 Cl32 N16 O48 Re8 -","8","1","","Gradenegger, A.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N. C.","An oxidorhenium(v) complex with an electron-withdrawing ligand: benefits and drawbacks for a dual role catalyst","RSC Advances","2024","14","54","40058","40068","10.1039/D4RA07391F","","","0.71073","MoKα","","0.0501","0.0283","","","0.0605","0.0686","","","","","","1.018","","","","has coordinates","296957","2024-12-24","02:16:54",""
"7249715","9.9619","0.0018","10.0674","0.0018","17.161","0.003","73.649","0.005","76.698","0.005","71.136","0.006","1544.3","0.5","100","2","100","2","","","","","","","synthetical product","7","P -1","-P 1","2","trichloro-[2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxa-zol-2-yl)phenolato-N,O]-(triphenylphosphine oxide-O)-rhenium(IV)","trichloro-[2,4-dichloro-6-(4,4-dimethyl-4,5-dihydro-1,3-oxa-zol-2-yl)phenolato-N,O]-(triphenylphosphine oxide-O)-rhenium(IV)","","- C29 H25 Cl5 N O3 P Re -","- C29 H25 Cl5 N O3 P Re -","- C58 H50 Cl10 N2 O6 P2 Re2 -","2","1","","Gradenegger, A.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N. C.","An oxidorhenium(v) complex with an electron-withdrawing ligand: benefits and drawbacks for a dual role catalyst","RSC Advances","2024","14","54","40058","40068","10.1039/D4RA07391F","","","0.71073","MoKα","","0.0534","0.0359","","","0.063","0.0685","","","","","","1.029","","","","has coordinates","296957","2024-12-24","02:17:13",""
"9004099","10.384","","15.947","","18.601","","90","","104.59","","90","","2980.88","","","","","","","","","","","","","13","C 1 2/c 1","-C 2yc","15","","","Lemoynite","- Ca0.83 Cu0.01 Fe0.08 H14 K Mg0.04 Na Nb0.08 O32 Si10 Ti0.06 Zn0.02 Zr1.86 -","- Ca0.83 Cu0.01 Fe0.08 H12 K Mg0.04 Na Nb0.08 O32 Si10 Ti0.06 Zn0.02 Zr1.86 -","- Ca3.32 Cu0.04 Fe0.32 H48 K4 Mg0.16 Na4 Nb0.32 O128 Si40 Ti0.24 Zn0.08 Zr7.44 -","4","0.5","","Le Page, Y.; Perrault, G.","Structure cristalline de la lemoynite, (Na,K)2CaZr2Si10O26,5-6H2O Note: x-coordinate of Na1 changed.","The Canadian Mineralogist","1976","14","","132","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9004100","3.008","","4.828","","5.214","","90","","90","","90","","75.721","","","","","","","","","","","","","2","P m m 2","P 2 -2","25","","","Dyscrasite","- Ag3 Sb -","- Ag3 Sb -","- Ag3 Sb -","1","0.25","","Scott, J. D.","Refinement of the crystal structure of dyscrasite, and its implications for the structure of allargentum","The Canadian Mineralogist","1976","14","","139","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004101","8.304","","8.53","","6.047","","90","","90","","90","","428.328","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","Adamite","- As H O5 Zn2 -","- As H O5 Zn2 -","- As4 H4 O20 Zn8 -","4","0.5","","Hawthorne, F. C.","A refinement of the crystal structure of adamite","The Canadian Mineralogist","1976","14","","143","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004102","11.472","","33.744","","4.016","","90","","90","","90","","1554.64","","","","","","","","","","","","","5","P 21 a m","P -2 2a","26","","","Pekoite","- Bi11.3 Cu0.7 Pb0.7 S14.94 Se3.06 -","- Bi11.3 Cu0.7 Pb0.7 S14.94 Se3.06 -","- Bi22.6 Cu1.4 Pb1.4 S29.88 Se6.12 -","2","0.5","","Mumme, W. G.; Watts, J. A.","Pekoite, CuPbBi11S18, a new member of the bismuthinite-alkinite mineral series: its crystal structure and relationship with naturally- and synthetically-formed members Note: x-coordinate of S18 changed in order to generate reported bond lengths.","The Canadian Mineralogist","1976","14","","322","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004103","9.863","","18.048","","5.285","","90","","104.79","","90","","909.6","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Tremolite","- Al0.16 Ca1.8 Cl0.012 F0.656 H1.332 K0.24 Mg5 Na0.56 O23.332 Si7.84 -","- Al0.16 Ca1.8 Cl0.012 F0.656 H1.332 K0.24 Mg5 Na0.56 O23.332 Si7.84 -","- Al0.32 Ca3.6 Cl0.024 F1.312 H2.664 K0.48 Mg10 Na1.12 O46.664 Si15.68 -","2","0.25","","Hawthorne, F. C.; Grundy, H. D.","The crystal chemistry of the amphiboles: IV. X-ray and neutron refinements of the crystal structure of tremolite Sample: X-ray data","The Canadian Mineralogist","1976","14","","334","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004104","9.863","","18.048","","5.285","","90","","104.79","","90","","909.6","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Tremolite","- Al0.16 Ca1.8 Cl0.012 F0.656 H1.332 K0.24 Mg5 Na0.56 O23.332 Si7.84 -","- Al0.16 Ca1.8 Cl0.012 F0.656 H1.332 K0.24 Mg5 Na0.56 O23.332 Si7.84 -","- Al0.32 Ca3.6 Cl0.024 F1.312 H2.664 K0.48 Mg10 Na1.12 O46.664 Si15.68 -","2","0.25","","Hawthorne, F. C.; Grundy, H. D.","The crystal chemistry of the amphiboles: IV. X-ray and neutron refinements of the crystal structure of tremolite Sample: Neutron data","The Canadian Mineralogist","1976","14","","334","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004105","10.007","","18.077","","5.332","","90","","104.101","","90","","935.477","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Arfvedsonite","- Al0.306 Ca0.158 Fe4.52 H2 K1.414 Mg0.11 Mn0.13 Na2.428 O24 Si7.84 Ti0.094 -","- Al0.306 Ca0.158 Fe4.52 H2 K1.414 Mg0.11 Mn0.13 Na2.428 O24 Si7.84 Ti0.094 -","- Al0.612 Ca0.316 Fe9.04 H4 K2.828 Mg0.22 Mn0.26 Na4.856 O48 Si15.68 Ti0.188 -","2","0.25","","Hawthorne, F. C.","The crystal chemistry of the amphiboles: V. The structure and chemistry of arfvedsonite","The Canadian Mineralogist","1976","14","","346","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9004106","10.1","","16.014","","7.377","","96.42","","111.15","","76.57","","1081.85","","","","","","","","","","","","","14","P -1","-P 1","2","","","Miserite","- Ca10.54 Ce0.22 Dy0.12 Er0.06 F2 H1.34 K2.26 La0.14 Nd0.2 O46.53 Pr0.04 Si16 Tb0.1 Y1.12 -","- Ca10.54 Ce0.22 Dy0.12 Er0.06 F2 H3.06 K2.26 La0.14 Nd0.2 O46.53 Pr0.04 Si16 Tb0.1 Y1.12 -","- Ca10.54 Ce0.22 Dy0.12 Er0.06 F2 H3.06 K2.26 La0.14 Nd0.2 O46.53 Pr0.04 Si16 Tb0.1 Y1.12 -","1","0.5","","Scott J D","Crystal structure of miserite, a Zoltai Type 5 structure","The Canadian Mineralogist","1976","14","","515","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004107","7.603","","7.603","","5.358","","90","","90","","90","","309.722","","","","","","","","","","","","","4","P -4 m 2","P -4 -2","115","","","Mawsonite","- Cu6 Fe2 S8 Sn -","- Cu6 Fe2 S8 Sn -","- Cu6 Fe2 S8 Sn -","1","0.125","","Szymanski, J. T.","The crystal structure of mawsonite, Cu6Fe2SnS8","The Canadian Mineralogist","1976","14","","529","535","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004108","33.7726","","11.5857","","4.01","","90","","90","","90","","1569.03","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Hammarite","- Bi4 Cu2 Pb2 S9 -","- Bi4 Cu2 Pb2 S9 -","- Bi16 Cu8 Pb8 S36 -","4","0.5","","Horiuchi, H.; Wuensch, B. J.","The ordering scheme for metal atoms in the crystal structure of hammarite, Cu2Pb2Bi4S9","The Canadian Mineralogist","1976","14","","536","539","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004109","14.413","","5.76","","5.084","","90","","90","","90","","422.068","","","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","Manganotantalite","- Fe0.01 Mn0.97 Nb0.72 O6 Ta1.28 Ti0.02 -","- Fe0.01 Mn0.97 Nb0.72 O6 Ta1.28 Ti0.02 -","- Fe0.04 Mn3.88 Nb2.88 O24 Ta5.12 Ti0.08 -","4","0.5","","Grice J D; Ferguson R B; Hawthorne F C","The crystal structures of tantalite, ixiolite and wodginite from Bernic lake, Manitoba I. Tantalite and ixiolite Locality: Bernic lake, Manitoba, Canada","The Canadian Mineralogist","1976","14","","540","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9004110","4.785","","5.758","","5.16","","90","","90","","90","","142.168","","","","","","","","","","","","Bernic lake, Manitoba, Canada","7","P b c n","-P 2n 2ab","60","","","Ixiolite","- Fe0.002 Mn0.3 Nb0.24 O2 Sn0.005 Ta0.42 Ti0.02 -","- Fe0.002 Mn0.3 Nb0.24 O2 Sn0.005 Ta0.42 Ti0.02 -","- Fe0.008 Mn1.2 Nb0.96 O8 Sn0.02 Ta1.68 Ti0.08 -","4","0.5","","Grice, J. D.; Ferguson, R. B.; Hawthorne, F. C.","The crystal structures of tantalite, ixiolite and wodginite from Bernic lake, Manitoba I. Tantalite and ixiolite","The Canadian Mineralogist","1976","14","","540","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004111","9.489","","11.429","","5.105","","90","","91.1","","90","","553.534","","","","","","","","","","","","Bernic lake, Manitoba, Canada","6","C 1 2/c 1","-C 2yc","15","","","Wodginite","- Fe0.07 Mn O8 Sn0.567 Ta2.25 Ti0.113 -","- Fe0.07 Mn O8 Sn0.567 Ta2.25 Ti0.113 -","- Fe0.28 Mn4 O32 Sn2.268 Ta9 Ti0.452 -","4","0.5","","Ferguson, R. B.; Hawthorne, F. C.; Grice, J. D.","The crystal structures of tantalite, ixiolite and wodginite from Bernic lake, Manitoba II. Wodginite","The Canadian Mineralogist","1976","14","","550","560","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9004112","4.661","","5.602","","3.411","","90","","90.2","","90","","89.064","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","Alloclasite","- As Co S -","- As Co S -","- As2 Co2 S2 -","2","1","","Scott, J. D.; Nowacki, W.","The crystal structure of alloclasite, CoAsS, and the alloclasite-cobaltite transformation","The Canadian Mineralogist","1976","14","","561","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9005533","10.1448","","18.1841","","5.2962","","90","","104.415","","90","","946.253","","","","298","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Potassic-ferri-ferrorichterite","- Ca0.55 Fe5.06 H2 K Na1.39 O24 Si8 -","- Ca0.55 Fe5.06 H2 K Na1.39 O24 Si8 -","- Ca1.1 Fe10.12 H4 K2 Na2.78 O48 Si16 -","2","0.25","","Redhammer, G. J.; Roth, G.","Crystal structure and Mossbauer spectroscopy of the synthetic amphibole potassic-ferri-ferrorichterite at 298 K and low temperatures (80-110 K) Sample: Ri1, T = 298 K","European Journal of Mineralogy","2002","14","","105","114","10.1127/0935-1221/2002/0014-0105","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005534","10.1306","","18.1678","","5.2889","","90","","104.54","","90","","942.25","","","","110","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Potassic-ferri-ferrorichterite","- Ca0.57 Fe5.06 H2 K Na1.37 O24 Si8 -","- Ca0.57 Fe5.06 H2 K Na1.37 O24 Si8 -","- Ca1.14 Fe10.12 H4 K2 Na2.74 O48 Si16 -","2","0.25","","Redhammer, G. J.; Roth, G.","Crystal structure and Mossbauer spectroscopy of the synthetic amphibole potassic-ferri-ferrorichterite at 298 K and low temperatures (80-110 K) Sample: Ri1, T = 110 K","European Journal of Mineralogy","2002","14","","105","114","10.1127/0935-1221/2002/0014-0105","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005535","10.1361","","18.1648","","5.303","","90","","104.327","","90","","946.023","","","","298","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Potassic-ferri-ferrorichterite","- Ca0.52 Fe5 H2 K Na1.48 O24 Si8 -","- Ca0.52 Fe5 H2 K Na1.48 O24 Si8 -","- Ca1.04 Fe10 H4 K2 Na2.96 O48 Si16 -","2","0.25","","Redhammer, G. J.; Roth, G.","Crystal structure and Mossbauer spectroscopy of the synthetic amphibole potassic-ferri-ferrorichterite at 298 K and low temperatures (80-110 K) Sample: Ri15, T = 298 K","European Journal of Mineralogy","2002","14","","105","114","10.1127/0935-1221/2002/0014-0105","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005536","9.005","","6.211","","7.44","","90","","115.19","","90","","376.547","","","","","","","","","","","","Schneeberg, Saxony, Germany","8","C 1 2/m 1","-C 2y","12","","","Schneebergite","- As2 Bi0.653 Ca0.347 Co1.04 Fe0.36 H5 Ni0.6 O10 -","- As2 Bi0.653 Ca0.347 Co1.04 Fe0.36 H3 Ni0.6 O10 -","- As4 Bi1.306 Ca0.694 Co2.08 Fe0.72 H6 Ni1.2 O20 -","2","0.25","","Krause, W.; Bernhardt, H. J.; Effenberger, H.; Witzke, T.","Schneebergite and nickelschneebergite from Schneeberg, Saxony, Germany: the first Bi-bearing members of the tsumcorite group Sample: #358","European Journal of Mineralogy","2002","14","","115","126","10.1127/0935-1221/2002/0014-0115","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005537","8.995","","6.207","","7.462","","90","","115","","90","","377.584","","","","","","","","","","","","Schneeberg, Saxony, Germany","8","C 1 2/m 1","-C 2y","12","","","Nickelschneebergite","- As2 Bi0.551 Ca0.449 Co0.62 Fe0.4 H5 Ni O10 -","- As2 Bi0.551 Ca0.449 Co0.62 Fe0.4 H3 Ni O10 -","- As4 Bi1.102 Ca0.898 Co1.24 Fe0.8 H6 Ni2 O20 -","2","0.25","","Krause, W.; Bernhardt, H. J.; Effenberger, H.; Witzke, T.","Schneebergite and nickelschneebergite from Schneeberg, Saxony, Germany: the first Bi-bearing members of the tsumcorite group Sample: #374","European Journal of Mineralogy","2002","14","","115","126","10.1127/0935-1221/2002/0014-0115","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005538","11.355","","11.355","","5.0394","","90","","90","","120","","562.709","","","","","","","","","","","","","5","P 3 1 m","P 3 -2","157","","","Satterlyite","- Fe1.544 H Mg0.456 O5 P -","- Fe1.544 H Mg0.456 O5 P -","- Fe9.264 H6 Mg2.736 O30 P6 -","6","1","","Kolitsch, U.; Andrut, M.; Giester, G.","Satterlyite, (Fe,Mg)12(PO3OH)(PO4)5(OH,O)6: crystal structure and infrared absorption spectra Note: z-coordinate of O6 altered by author, August 2003.","European Journal of Mineralogy","2002","14","","127","133","10.1127/0935-1221/2002/0014-0127","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005539","5.791","","12.998","","19.33","","90","","90","","90.089","","1454.99","","","","","","","","","","","","","4","C 1 1 21","","","","","Pb7O4(OH)4Cl2","- Cl2 H4 O8 Pb7 -","- Cl2 H4 O8 Pb7 -","- Cl8 H16 O32 Pb28 -","4","","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of lead oxide chlorides. II. Crystal structure of Pb7O4(OH)4Cl2","European Journal of Mineralogy","2002","14","","135","139","10.1127/0935-1221/2002/0014-0135","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:54:25",""
"9005540","8.3354","","12.8304","","18.313","","90","","90.025","","90","","1958.51","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Rimkorolgite","- Ba H16 Mg5 O24 P4 -","- Ba H16 Mg5 O24 P4 -","- Ba4 H64 Mg20 O96 P16 -","4","1","","Krivovichev, S. V.; Britvin, S. N.; Burns, P. C.; Yakovenchuk, V. N.","Crystal structure of rimkorolgite, Ba[Mg5(H2O)7(PO4)4](H2O), and its comparison with bakhchisaraitsevite","European Journal of Mineralogy","2002","14","","397","402","10.1127/0935-1221/2002/0014-0397","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:54:39",""
"9005541","9.654","","8.845","","5.203","","90","","108.37","","90","","421.642","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Enstatite","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.6 Mg7.4 O24 Si8 -","4","1","","Tribaudino, M.; Nestola, F.","Average and local structure in P2_1/c clinopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: Di15En85 (non-split model) Note: x-coordinate for SiTA altered by Tribaudino, Sept 2003","European Journal of Mineralogy","2002","14","","549","555","10.1127/0935-1221/2002/0014-0549","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005542","9.654","","8.845","","5.203","","90","","108.37","","90","","421.642","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Enstatite","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.15 Mg1.85 O6 Si2 -","- Ca0.6 Mg7.4 O24 Si8 -","4","1","","Tribaudino, M.; Nestola, F.","Average and local structure in P2_1/c clinopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: Di15En85 (split model)","European Journal of Mineralogy","2002","14","","549","555","10.1127/0935-1221/2002/0014-0549","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005543","9.69","","8.862","","5.229","","90","","108.31","","90","","426.295","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Enstatite","- Ca0.23 Mg1.77 O6 Si2 -","- Ca0.23 Mg1.77 O6 Si2 -","- Ca0.92 Mg7.08 O24 Si8 -","4","1","","Tribaudino, M.; Nestola, F.","Average and local structure in P2_1/c clinopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: Di23En77 (non-split model)","European Journal of Mineralogy","2002","14","","549","555","10.1127/0935-1221/2002/0014-0549","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005544","9.69","","8.862","","5.229","","90","","108.31","","90","","426.295","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Enstatite","- Ca0.23 Mg1.77 O6 Si2 -","- Ca0.23 Mg1.77 O6 Si2 -","- Ca0.92 Mg7.08 O24 Si8 -","4","1","","Tribaudino, M.; Nestola, F.","Average and local structure in P2_1/c clinopyroxenes along the join diopside-enstatite (CaMgSi2O6-Mg2Si2O6) Sample: Di23En77 (split model)","European Journal of Mineralogy","2002","14","","549","555","10.1127/0935-1221/2002/0014-0549","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005545","6.533","","19.03","","9.83","","90","","109.95","","90","","1148.76","","","","","","","","100","","","","","5","C 1 c 1","C -2yc","9","","","Scolecite","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al8 Ca4 H24 O52 Si12 -","4","1","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of scolecite Sample: P = .0001 GPa","European Journal of Mineralogy","2002","14","","567","574","10.1127/0935-1221/2002/0014-0567","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:54:42",""
"9005546","6.471","","18.804","","9.723","","90","","109.79","","90","","1113.23","","","","","","","","1770000","","","","","5","C 1 c 1","C -2yc","9","","","Scolecite","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al8 Ca4 H24 O52 Si12 -","4","1","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of scolecite Sample: P = 1.77 GPa","European Journal of Mineralogy","2002","14","","567","574","10.1127/0935-1221/2002/0014-0567","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:54:47",""
"9005547","6.43","","18.631","","9.363","","90","","109.6","","90","","1056.67","","","","","","","","3380000","","","","","5","C 1 c 1","C -2yc","9","","","Scolecite","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al8 Ca4 H24 O52 Si12 -","4","1","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of scolecite Sample: P = 3.38 GPa","European Journal of Mineralogy","2002","14","","567","574","10.1127/0935-1221/2002/0014-0567","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:54:57",""
"9005548","6.542","","18.842","","9.863","","90","","109.89","","90","","1143.23","","","","","","","","100","","","","","5","C 1 c 1","C -2yc","9","","","Scolecite","- Al2 Ca H6 O13 Si3 -","- Al2 Ca H6 O13 Si3 -","- Al8 Ca4 H24 O52 Si12 -","4","1","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of scolecite Sample: P = .0001 GPa (after compression) Note: y-coordinate of O5 altered to match bond lengths","European Journal of Mineralogy","2002","14","","567","574","10.1127/0935-1221/2002/0014-0567","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:02",""
"9005549","5.589","","5.589","","5.589","","90","","90","","90","","174.583","","","","473.15","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Digenite","- Cu1.798 S -","- Cu1.798 S -","- Cu7.192 S4 -","4","0.0208333","","Will, G.; Hinze, E.; Abdelrahman, A. R. M.","Crystal structure analysis and refinement of digenite, Cu1.8S, in the temperature range 20 to 500 C under controlled sulfur partial pressure Sample: T = 200 C","European Journal of Mineralogy","2002","14","","591","598","10.1127/0935-1221/2002/0014-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005550","4.033","","4.033","","6.739","","90","","90","","120","","94.925","","","","573.15","","","","","","","","Synthetic","2","P 63/m m c","-P 6c 2c","194","","","Chalcocite","- Cu2.001 S -","- Cu2.001 S -","- Cu4.002 S2 -","2","0.0833333","","Will, G.; Hinze, E.; Abdelrahman, A. R. M.","Crystal structure analysis and refinement of digenite, Cu1.8S, in the temperature range 20 to 500 C under controlled sulfur partial pressure Sample: T = 300 C, sometimes called high-chalcocite","European Journal of Mineralogy","2002","14","","591","598","10.1127/0935-1221/2002/0014-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005551","5.593","","5.593","","5.593","","90","","90","","90","","174.958","","","","673.15","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Digenite","- Cu1.798 S -","- Cu1.798 S -","- Cu7.192 S4 -","4","0.0208333","","Will, G.; Hinze, E.; Abdelrahman, A. R. M.","Crystal structure analysis and refinement of digenite, Cu1.8S, in the temperature range 20 to 500 C under controlled sulfur partial pressure Sample: T = 400 C","European Journal of Mineralogy","2002","14","","591","598","10.1127/0935-1221/2002/0014-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005552","5.639","","5.639","","5.639","","90","","90","","90","","179.311","","","","773.15","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Digenite","- Cu1.997 S -","- Cu1.9972 S -","- Cu7.9888 S4 -","4","0.0208333","","Will, G.; Hinze, E.; Abdelrahman, A. R. M.","Crystal structure analysis and refinement of digenite, Cu1.8S, in the temperature range 20 to 500 C under controlled sulfur partial pressure Sample: T = 500 C, sometimes called high-digenite","European Journal of Mineralogy","2002","14","","591","598","10.1127/0935-1221/2002/0014-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005553","15.328","","4.04","","23.054","","90","","90","","90","","1427.62","","","","","","","","","","","","Tuscany, Italy","3","P 21 2 21","P 2ac 2ac","18","","","Moeloite","- Pb6 S17 Sb6 -","- Pb6 S17 Sb6 -","- Pb12 S34 Sb12 -","2","0.5","","Orlandi, P.; Meerschaut, A.; Palvadeau, P.; Merlino, S.","Lead-antimony sulfosalts from Tuscany (Italy). V. Definition and crystal structure of moeloite, Pb6Sb6S14(S3), a new mineral from the Ceragiola marble quarry","European Journal of Mineralogy","2002","14","","599","606","10.1127/0935-1221/2002/0014-0599","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005554","15.5996","","15.5996","","7.0224","","90","","90","","120","","1479.94","","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.88 B5.22 Na0.77 O31 Si3.78 -","- Al8.88 B5.22 Na0.77 O31.52 Si3.78 -","- Al26.64 B15.66 Na2.31 O94.56 Si11.34 -","3","0.166667","","Marler, B.; Borowski, M.; Wodara, U.; Schreyer, W.","Synthetic tourmaline (olenite) with excess boron replacing silicon in the tetrahedral site: II. Structure analysis Sample: 1","European Journal of Mineralogy","2002","14","","763","771","10.1127/0935-1221/2002/0014-0763","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005555","15.6329","","15.6329","","7.0365","","90","","90","","120","","1489.25","","","","","","","","","","","","Synthetic","5","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.88 B4.8 Na0.67 O31 Si4.2 -","- Al8.88 B4.8 Na0.67 O31.52 Si4.2 -","- Al26.64 B14.4 Na2.01 O94.56 Si12.6 -","3","0.166667","","Marler, B.; Borowski, M.; Wodara, U.; Schreyer, W.","Synthetic tourmaline (olenite) with excess boron replacing silicon in the tetrahedral site: II. Structure analysis Sample: 2","European Journal of Mineralogy","2002","14","","763","771","10.1127/0935-1221/2002/0014-0763","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005556","12.01","","12.01","","12.01","","90","","90","","90","","1732.32","","","","","","","","","","","","","9","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.608 Ca2.898 Fe1.321 Mg0.072 Mn0.018 O12 Si2.862 Ti0.213 Zr0.006 -","- Al0.608 Ca2.898 Fe1.321 Mg0.072 Mn0.018 O12 Si2.862 Ti0.213 Zr0.006 -","- Al4.864 Ca23.184 Fe10.568 Mg0.576 Mn0.144 O96 Si22.896 Ti1.704 Zr0.048 -","8","0.0833333","","Agrosi, G.; Schingaro, E.; Pedrazzi, G.; Scandale, E.; Scordari, F.","A crystal chemical insight into sector zoning of a titanian andradite ('melanite') crystal Sample: (121)","European Journal of Mineralogy","2002","14","","785","794","10.1127/0935-1221/2002/0014-0785","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005557","12.014","","12.014","","12.014","","90","","90","","90","","1734.06","","","","","","","","","","","","","9","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.632 Ca2.892 Fe1.311 Mg0.072 Mn0.018 O12 Si2.874 Ti0.192 Zr0.009 -","- Al0.632 Ca2.892 Fe1.311 Mg0.072 Mn0.018 O12 Si2.874 Ti0.192 Zr0.009 -","- Al5.056 Ca23.136 Fe10.488 Mg0.576 Mn0.144 O96 Si22.992 Ti1.536 Zr0.072 -","8","0.0833333","","Agrosi, G.; Schingaro, E.; Pedrazzi, G.; Scandale, E.; Scordari, F.","A crystal chemical insight into sector zoning of a titanian andradite ('melanite') crystal Sample: (011)","European Journal of Mineralogy","2002","14","","785","794","10.1127/0935-1221/2002/0014-0785","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005558","12.007","","12.007","","12.007","","90","","90","","90","","1731.03","","","","","","","","","","","","","9","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.634 Ca2.895 Fe1.302 Mg0.072 Mn0.018 O12 Si2.877 Ti0.192 Zr0.009 -","- Al0.634 Ca2.895 Fe1.302 Mg0.072 Mn0.018 O12 Si2.877 Ti0.192 Zr0.009 -","- Al5.072 Ca23.16 Fe10.416 Mg0.576 Mn0.144 O96 Si23.016 Ti1.536 Zr0.072 -","8","0.0833333","","Agrosi, G.; Schingaro, E.; Pedrazzi, G.; Scandale, E.; Scordari, F.","A crystal chemical insight into sector zoning of a titanian andradite ('melanite') crystal Sample: (110)","European Journal of Mineralogy","2002","14","","785","794","10.1127/0935-1221/2002/0014-0785","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005559","9.803","","8.985","","5.263","","90","","105.69","","90","","446.292","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.301 Ca0.752 K0.23 Mg0.749 O6 Si1.968 -","- Al0.301 Ca0.752 K0.23 Mg0.749 O6 Si1.968 -","- Al1.204 Ca3.008 K0.92 Mg2.996 O24 Si7.872 -","4","0.5","","Bindi, L.; Safonov, O. G.; Litvin, Y. A.; Perchuk, L. L.; Menchetti, S.","Ultrahigh potassium content in the clinopyroxene structure: an X-ray single-crystal study Sample: K1","European Journal of Mineralogy","2002","14","","929","934","10.1127/0935-1221/2002/0014-0929","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005560","9.744","","8.904","","5.273","","90","","106.14","","90","","439.457","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.209 Ca0.896 K0.072 Mg0.887 O6 Si1.936 -","- Al0.209 Ca0.896 K0.072 Mg0.887 O6 Si1.936 -","- Al0.836 Ca3.584 K0.288 Mg3.548 O24 Si7.744 -","4","0.5","","Bindi, L.; Safonov, O. G.; Litvin, Y. A.; Perchuk, L. L.; Menchetti, S.","Ultrahigh potassium content in the clinopyroxene structure: an X-ray single-crystal study Sample: K2","European Journal of Mineralogy","2002","14","","929","934","10.1127/0935-1221/2002/0014-0929","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005561","15.792","","15.792","","7.0878","","90","","90","","120","","1530.79","","","","","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.469 B3.438 H3 Na0.58 O31 Si5.562 -","- Al8.469 B3.438 H3 Na0.58 O31 Si5.562 -","- Al25.407 B10.314 H9 Na1.74 O93 Si16.686 -","3","0.166667","","Schreyer, W.; Hughes, J. M.; Bernhardt, H. J.; Kalt, A.; Prowatke, S.; Ertl, A.","Reexamination of olenite from the type locality: detection of boron in tetrahedral coordination Note: z-coordinate for AlY and y-coordinate for H were altered by Hughes, Aug 2003","European Journal of Mineralogy","2002","14","","935","942","10.1127/0935-1221/2002/0014-0935","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005562","5.712","","5.712","","18.317","","90","","90","","120","","517.561","","","","","","","","","","","","","6","P 63 m c","P 6c -2c","186","","","Ferrohogbomite-2N2S","- Al7 Fe2.6 H Mg O16 Ti0.4 -","- Al7 Fe2.6 H Mg O16 Ti0.4 -","- Al14 Fe5.2 H2 Mg2 O32 Ti0.8 -","2","0.166667","","Hejny, C.; Gnos, E.; Grobety, B.; Armbruster, T.","Crystal chemistry of the polysome ferrohogbomite-2N2S, a long-known but newly defined mineral species","European Journal of Mineralogy","2002","14","","957","967","10.1127/0935-1221/2002/0014-0957","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:14",""
"9005563","13.456","","5.728","","11.083","","90","","100.6","","90","","839.656","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","Chevkinite-(Ce)","- Ca0.14 Ce3.686 Fe1.74 H1.28 Mg0.24 Nb0.14 O22 Si4 Ti2.74 -","- Ca0.14 Ce3.686 Fe1.74 H1.28 Mg0.24 Nb0.14 O22 Si4 Ti2.74 -","- Ca0.28 Ce7.372 Fe3.48 H2.56 Mg0.48 Nb0.28 O44 Si8 Ti5.48 -","2","0.25","","Yang, Z.; Fleck, M.; Smith, M.; Tao, K.; Song, R.; Zhang, P.","The crystal structure of natural Fe-rich chevkinite-(Ce)","European Journal of Mineralogy","2002","14","","969","975","10.1127/0935-1221/2002/0014-0969","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005564","13.85","","5.631","","11.892","","90","","114.143","","90","","846.323","","","","","","","","","","","","Itoigawa-Ohmi district, Niigata Prefecture, Japan","4","C 1 2/m 1","-C 2y","12","","","Matsubaraite","- O22 Si4 Sr4 Ti5 -","- O22 Si4 Sr4 Ti5 -","- O44 Si8 Sr8 Ti10 -","2","0.25","","Miyajima, H.; Miyawaki, R.; Ito, K.","Matsubaraite, Sr4Ti5(Si2O7)2O8, a new mineral, the Sr-Ti analogue of perrierite in jadeitite from the Itoigawa-Ohmi district, Niigata Prefecture, Japan","European Journal of Mineralogy","2002","14","","1119","1128","10.1127/0935-1221/2002/0014-1119","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005846","4.428","","9.415","","5.481","","90","","90","","90","","228.501","","","","","","","","100","","","","","3","P b n m","-P 2c 2ab","62","","","Chrysoberyl","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","","Hazen, R. M.","High-pressure crystal chemistry of chrysoberyl, Al2BeO4: insights on the origin of olivine elastic anisotropy Sample: P = 1 bar","Physics and Chemistry of Minerals","1987","14","","13","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005847","4.421","","9.399","","5.471","","90","","90","","90","","227.336","","","","","","","","1400000","","","","","3","P b n m","-P 2c 2ab","62","","","Chrysoberyl","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","","Hazen, R. M.","High-pressure crystal chemistry of chrysoberyl, Al2BeO4: insights on the origin of olivine elastic anisotropy Sample: P = 1.4 GPa","Physics and Chemistry of Minerals","1987","14","","13","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005848","4.413","","9.373","","5.458","","90","","90","","90","","225.76","","","","","","","","3150000","","","","","3","P b n m","-P 2c 2ab","62","","","Chrysoberyl","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","","Hazen, R. M.","High-pressure crystal chemistry of chrysoberyl, Al2BeO4: insights on the origin of olivine elastic anisotropy Sample: P = 3.15 GPa","Physics and Chemistry of Minerals","1987","14","","13","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005849","4.407","","9.366","","5.453","","90","","90","","90","","225.078","","","","","","","","4000000","","","","","3","P b n m","-P 2c 2ab","62","","","Chrysoberyl","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","","Hazen, R. M.","High-pressure crystal chemistry of chrysoberyl, Al2BeO4: insights on the origin of olivine elastic anisotropy Sample: P = 4.0 GPa","Physics and Chemistry of Minerals","1987","14","","13","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005850","4.4","","9.343","","5.442","","90","","90","","90","","223.716","","","","","","","","5400000","","","","","3","P b n m","-P 2c 2ab","62","","","Chrysoberyl","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","","Hazen, R. M.","High-pressure crystal chemistry of chrysoberyl, Al2BeO4: insights on the origin of olivine elastic anisotropy Sample: P = 5.4 GPa","Physics and Chemistry of Minerals","1987","14","","13","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005852","4.1773","","4.1773","","2.6655","","90","","90","","90","","46.513","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Stishovite","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Spackman, M. A.; Hill, R. J.; Gibbs, G. V.","Exploration of structure and bonding in stishovite with Fourier and Pseudoaton Refinement methods using single crystal and powder X-ray diffraction data Sample: IAM","Physics and Chemistry of Minerals","1987","14","","139","150","10.1007/BF00308217","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005854","4.1773","","4.1773","","2.6655","","90","","90","","90","","46.513","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Stishovite","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Spackman, M. A.; Hill, R. J.; Gibbs, G. V.","Exploration of structure and bonding in stishovite with Fourier and Pseudoaton Refinement methods using single crystal and powder X-ray diffraction data Sample: IAM+","Physics and Chemistry of Minerals","1987","14","","139","150","10.1007/BF00308217","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005856","4.7641","","10.2269","","5.9952","","90","","90","","90","","292.098","","","","","","","","","","","","sample from San Carlos, Arizona","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe0.19 Mg1.81 O4 Si -","- Fe0.19 Mg1.81 O4 Si -","- Fe0.76 Mg7.24 O16 Si4 -","4","0.5","","McCormick, T. C.; Smyth, J. R.; Lofgren, G. E.","Site occupancies of minor elements in synthetic olivines as determined by channeling-enhanced X-ray emission","Physics and Chemistry of Minerals","1987","14","","368","372","10.1007/BF00309812","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005857","12.4376","","12.4376","","8.2312","","90","","90","","120","","1102.72","","","","298.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Finger, L. W.","High-temperature crystal chemistry of phenakite (Be2SiO4) and Chrysoberyl (BeAl2O4) Sample: T = 25 C","Physics and Chemistry of Minerals","1987","14","","426","434","10.1007/BF00628819","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005858","12.449","","12.449","","8.24","","90","","90","","120","","1105.93","","","","543.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Finger, L. W.","High-temperature crystal chemistry of phenakite (Be2SiO4) and Chrysoberyl (BeAl2O4) Sample: T = 270 C","Physics and Chemistry of Minerals","1987","14","","426","434","10.1007/BF00628819","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005859","12.4647","","12.4647","","8.2515","","90","","90","","120","","1110.27","","","","763.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Finger, L. W.","High-temperature crystal chemistry of phenakite (Be2SiO4) and Chrysoberyl (BeAl2O4) Sample: T = 490 C","Physics and Chemistry of Minerals","1987","14","","426","434","10.1007/BF00628819","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005860","12.482","","12.482","","8.266","","90","","90","","120","","1115.31","","","","963.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Phenakite","- Be2 O4 Si -","- Be2 O4 Si -","- Be36 O72 Si18 -","18","1","","Hazen, R. M.; Finger, L. W.","High-temperature crystal chemistry of phenakite (Be2SiO4) and Chrysoberyl (BeAl2O4) Sample: T = 690 C","Physics and Chemistry of Minerals","1987","14","","426","434","10.1007/BF00628819","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005861","4.424","","9.396","","5.471","","90","","90","","90","","227.418","","","","298.15","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Chrysoberyl","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","","Hazen, R. M.; Finger, L. W.","High-temperature crystal chemistry of phenakite (Be2SiO4) and Chrysoberyl (BeAl2O4) Sample: T = 25 C","Physics and Chemistry of Minerals","1987","14","","426","434","10.1007/BF00628819","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005862","4.4275","","9.4063","","5.477","","90","","90","","90","","228.097","","","","543.15","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Chrysoberyl","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","","Hazen, R. M.; Finger, L. W.","High-temperature crystal chemistry of phenakite (Be2SiO4) and Chrysoberyl (BeAl2O4) Sample: T = 270 C","Physics and Chemistry of Minerals","1987","14","","426","434","10.1007/BF00628819","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005863","4.438","","9.429","","5.492","","90","","90","","90","","229.818","","","","763.15","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Chrysoberyl","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","","Hazen, R. M.; Finger, L. W.","High-temperature crystal chemistry of phenakite (Be2SiO4) and Chrysoberyl (BeAl2O4) Sample: T = 490 C","Physics and Chemistry of Minerals","1987","14","","426","434","10.1007/BF00628819","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005864","4.4457","","9.4491","","5.5011","","90","","90","","90","","231.089","","","","963.15","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Chrysoberyl","- Al2 Be O4 -","- Al2 Be O4 -","- Al8 Be4 O16 -","4","0.5","","Hazen, R. M.; Finger, L. W.","High-temperature crystal chemistry of phenakite (Be2SiO4) and Chrysoberyl (BeAl2O4) Sample: T = 690 C","Physics and Chemistry of Minerals","1987","14","","426","434","10.1007/BF00628819","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9007456","2.9065","","2.9065","","2.8366","","90","","90","","120","","20.752","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","","Qusongite","- C W -","- C W -","- C W -","1","0.0833333","","Leciejewicz, J.","A note on the structure of tungsten carbide","Acta Crystallographica","1961","14","2","200","200","10.1107/S0365110X6100067X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007457","4.634","","4.634","","4.634","","90","","90","","90","","99.51","","","","302.75","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Villiaumite","- F Na -","- F Na -","- F4 Na4 -","4","0.0208333","","Deshpande, V. T.","Thermal expansion of sodium fluoride and sodium bromide Note: T = 29.6 C, rocksalt structure","Acta Crystallographica","1961","14","","794","794","10.1107/S0365110X61002357","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007458","4.64","","4.64","","4.64","","90","","90","","90","","99.897","","","","341.25","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Villiaumite","- F Na -","- F Na -","- F4 Na4 -","4","0.0208333","","Deshpande, V. T.","Thermal expansion of sodium fluoride and sodium bromide Note: T = 68.1 C, rocksalt structure","Acta Crystallographica","1961","14","","794","794","10.1107/S0365110X61002357","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007459","4.6466","","4.6466","","4.6466","","90","","90","","90","","100.324","","","","381.15","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Villiaumite","- F Na -","- F Na -","- F4 Na4 -","4","0.0208333","","Deshpande, V. T.","Thermal expansion of sodium fluoride and sodium bromide Note: T = 108 C, rocksalt structure","Acta Crystallographica","1961","14","","794","794","10.1107/S0365110X61002357","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007460","4.6537","","4.6537","","4.6537","","90","","90","","90","","100.785","","","","421.15","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Villiaumite","- F Na -","- F Na -","- F4 Na4 -","4","0.0208333","","Deshpande, V. T.","Thermal expansion of sodium fluoride and sodium bromide Note: T = 148 C, rocksalt structure","Acta Crystallographica","1961","14","","794","794","10.1107/S0365110X61002357","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007461","4.6585","","4.6585","","4.6585","","90","","90","","90","","101.097","","","","449.15","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Villiaumite","- F Na -","- F Na -","- F4 Na4 -","4","0.0208333","","Deshpande, V. T.","Thermal expansion of sodium fluoride and sodium bromide Note: T = 176 C, rocksalt structure","Acta Crystallographica","1961","14","","794","794","10.1107/S0365110X61002357","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007462","4.6648","","4.6648","","4.6648","","90","","90","","90","","101.508","","","","481.15","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Villiaumite","- F Na -","- F Na -","- F4 Na4 -","4","0.0208333","","Deshpande, V. T.","Thermal expansion of sodium fluoride and sodium bromide Note: T = 208 C, rocksalt structure","Acta Crystallographica","1961","14","","794","794","10.1107/S0365110X61002357","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007463","4.6726","","4.6726","","4.6726","","90","","90","","90","","102.018","","","","527.15","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Villiaumite","- F Na -","- F Na -","- F4 Na4 -","4","0.0208333","","Deshpande, V. T.","Thermal expansion of sodium fluoride and sodium bromide Note: T = 254 C, rocksalt structure","Acta Crystallographica","1961","14","","794","794","10.1107/S0365110X61002357","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007464","5.9738","","5.9738","","5.9738","","90","","90","","90","","213.183","","","","304.65","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Br Na -","- Br Na -","- Br4 Na4 -","4","0.0208333","","Deshpande, V. T.","Thermal expansion of sodium fluoride and sodium bromide Note: T = 31.5 C, rocksalt structure","Acta Crystallographica","1961","14","","794","794","10.1107/S0365110X61002357","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007465","5.9879","","5.9879","","5.9879","","90","","90","","90","","214.696","","","","355.85","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Br Na -","- Br Na -","- Br4 Na4 -","4","0.0208333","","Deshpande, V. T.","Thermal expansion of sodium fluoride and sodium bromide Note: T = 82.7 C, rocksalt structure","Acta Crystallographica","1961","14","","794","794","10.1107/S0365110X61002357","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007466","5.9985","","5.9985","","5.9985","","90","","90","","90","","215.838","","","","392.55","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Br Na -","- Br Na -","- Br4 Na4 -","4","0.0208333","","Deshpande, V. T.","Thermal expansion of sodium fluoride and sodium bromide Note: T = 119.4 C, rocksalt structure","Acta Crystallographica","1961","14","","794","794","10.1107/S0365110X61002357","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007467","6.011","","6.011","","6.011","","90","","90","","90","","217.19","","","","433.15","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Br Na -","- Br Na -","- Br4 Na4 -","4","0.0208333","","Deshpande, V. T.","Thermal expansion of sodium fluoride and sodium bromide Note: T = 160 C, rocksalt structure","Acta Crystallographica","1961","14","","794","794","10.1107/S0365110X61002357","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007468","6.0389","","6.0389","","6.0389","","90","","90","","90","","220.228","","","","525.15","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Br Na -","- Br Na -","- Br4 Na4 -","4","0.0208333","","Deshpande, V. T.","Thermal expansion of sodium fluoride and sodium bromide Note: T = 252 C, rocksalt structure","Acta Crystallographica","1961","14","","794","794","10.1107/S0365110X61002357","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007469","10.23","","5.08","","10.49","","90","","120.25","","90","","470.919","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Phosphophyllite","- Fe H8 O12 P2 Zn2 -","- Fe H8 O12 P2 Zn2 -","- Fe2 H16 O24 P4 Zn4 -","2","0.5","","Kleber, W.; Liebau, F.; Piatkowiak, E.","Zur struktur des phosphophyllits, Zn2Fe[PO4]2*4H2O","Acta Crystallographica","1961","14","","795","795","10.1107/S0365110X61002369","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9009524","19.99","","19.99","","5.908","","90","","90","","90","","2360.84","","","","","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","Baotite","- Ba4 Cl Fe0.64 Nb1.44 O28 Si4 Ti5.92 -","- Ba4 Cl Fe0.64 Nb1.44 O28 Si4 Ti5.92 -","- Ba16 Cl4 Fe2.56 Nb5.76 O112 Si16 Ti23.68 -","4","0.25","","Nekrasov Yu, V.; Ponomarev, V. I.; Simonov, V. I.; Kheiker, D. M.","Refinement of the atomic structure of baotite and the isomorphic relationships in this mineral","Soviet Physics Crystallography","1969","14","","508","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009567","11.69","","16.33","","7.6","","91.6","","90","","91.9","","1449.46","","","","","","","","","","","","","6","F -1","-F 1","2","","","Polyhalite","- Ca2 H4 K2 Mg O18 S4 -","- Ca2 H4 K2 Mg O18 S4 -","- Ca8 H16 K8 Mg4 O72 S16 -","4","","","Schlatti, M.; Sahl, K.; Zemann, A.; Zemann, J.","Die kristallstruktur des polyhalits, K2Ca2Mg(SO4)4(H2O)2","Tschermaks Mineralogische und Petrographische Mitteilungen","1970","14","","75","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009961","6.76","","11.12","","7.32","","90","","95","","90","","548.159","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Prosopite","- Al2 Ca F4 H4 O4 -","- Al2 Ca F4 H4 O4 -","- Al8 Ca4 F16 H16 O16 -","4","0.5","","Pudovkina, Z. V.; Chernitsova, N. M.; Pyatenko, Y. A.","Refinement of the crystalline structure of prosopite, CaAl2F4(OH)4","Journal of Structural Chemistry","1973","14","","345","347","10.1007/BF00739481","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9009962","5.02","","10.62","","8.73","","90","","102.7","","90","","454.031","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Tikhonenkovite","- Al F4 H3 O2 Sr -","- Al F4 H3 O2 Sr -","- Al4 F16 H12 O8 Sr4 -","4","1","","Pudovkina, Z. V.; Chernitsova, N. M.; Pyatenko Yu, A.","Crystal structure refinement of tikhonenkovite Sr2[Al2F8(OH)2]*2H2O","Journal of Structural Chemistry","1973","14","","445","448","10.1007/BF00746997","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011045","10.36","","8.84","","10.19","","90","","90","","90","","933.225","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 In O6 P -","- H4 In O6 P -","- H32 In8 O48 P8 -","8","1","","Mooney-Slater R C L","X-ray diffraction study of indium phosphate dihydrate and isostructural thallic compounds","Acta Crystallographica","1961","14","","1140","1146","10.1107/S0365110X61003351","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011046","22.78","","8.33","","7.9","","90","","97.4","","90","","1486.6","","","","","","","","","","","","Binnenthal, Switzerland","3","P -1","-P 1","2","","","Baumhauerite","- As9 Pb5 S18 -","- As9 Pb5 S18 -","- As18 Pb10 S36 -","2","1","","Le Bihan, M. T.","Contribution a l'etude structurale des sulfures d'arsenic et de plomb. Structure de la baumhauerite","Acta Crystallographica","1961","14","","1210","1211","10.1107/S0365110X61003533","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011047","8.43","","70.9","","7.91","","90","","90.25","","90","","4727.66","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","Liveingite","- As13 Pb9 S28 -","- As13 Pb9 S28 -","- As52 Pb36 S112 -","4","1","","Le Bihan, M. T.","Structure de la rathite II. Comparaison entre les differentes structures connues de sulfures d'arsenic et de plomb","Acta Crystallographica","1961","14","","1211","1212","10.1107/S0365110X61003545","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011598","2.91","","2.91","","2.91","","90","","90","","90","","24.642","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Chromium","","Chromium","- Cr -","- Cr -","- Cr2 -","2","0.0208333","","Hull, A. W.; Davey, W. P.","Crystal structure of chromium","Physical Review","1919","14","","540","540","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011947","10.984","","10.268","","7.917","","90","","108.49","","90","","846.816","","","","","","","","","","","","Sonora, Mexico","4","P 1 21/c 1","-P 2ybc","14","","","Sonoraite","- Fe H3 O5 Te -","- Fe H3 O5 Te -","- Fe8 H24 O40 Te8 -","8","2","","Donnay, G.; Stewart, J. M.; Preston, H.","The crystal structure of sonoraite, Fe3+Te4+O3(OH)*H2O","Tschermaks Mineralogische und Petrographische Mitteilungen","1970","14","","27","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012033","2.28","","2.28","","3.6","","90","","90","","120","","16.207","","","","","","","","1000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be -","- Be2 -","2","0.0833333","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = .001 GPa Note: BeI phase","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012034","2.2526","","2.2526","","3.5064","","90","","90","","120","","15.408","","","","","","","","5000000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be -","- Be2 -","2","0.0833333","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 5 GPa Note: BeI phase","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012035","2.2504","","2.2504","","3.4776","","90","","90","","120","","15.252","","","","","","","","8600000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be -","- Be2 -","2","0.0833333","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 8.6 GPa Note: BeI phase","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012036","2.2207","","2.2207","","3.4488","","90","","90","","120","","14.729","","","","","","","","11500000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be -","- Be2 -","2","0.0833333","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 11.5 GPa Note: BeI phase","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012037","4.4278","","4.4278","","3.474","","90","","90","","120","","58.984","","","","","","","","14500000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be -","- Be2 -","2","0.0833333","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 14.5 GPa Note: BeII phase, slightly distorded HCP","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012038","4.4004","","4.4004","","3.402","","90","","90","","120","","57.049","","","","","","","","19500000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be -","- Be2 -","2","0.0833333","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 19.5 GPa Note: BeII phase, slightly distorded HCP","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012039","4.3799","","4.3799","","3.3912","","90","","90","","120","","56.339","","","","","","","","22000000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be -","- Be2 -","2","0.0833333","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 22 GPa Note: BeII phase, slightly distorded HCP","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012040","4.3571","","4.3571","","3.402","","90","","90","","120","","55.932","","","","","","","","25500000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be -","- Be2 -","2","0.0833333","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 25.5 GPa Note: BeII phase, slightly distorded HCP","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012041","4.389","","4.389","","3.3768","","90","","90","","120","","56.334","","","","","","","","28300000","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Beryllium","","Beryllium","- Be -","- Be -","- Be2 -","2","0.0833333","","Ming, L. C.; Manghnani, M. H.","Isothermal compression and phase transition in beryllium to 28.3 GPa Sample: at P = 28.3 GPa Note: BeII phase, slightly distorded HCP","Journal of Physics F: Metal Physics","1984","14","","1","8","10.1088/0305-4608/14/1/003","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012061","5.325","","5.325","","10.51","","90","","90","","90","","298.018","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","","Briartite","- Cu2 Fe Ge S4 -","- Cu2 Fe Ge S4 -","- Cu4 Fe2 Ge2 S8 -","2","0.125","","Wintenberger, M.","Etude de la structure cristallographique et magnetique de Cu2FeGeS4 et remarque sur la structure magnetique de Cu2MnSnS4","Materials Research Bulletin","1979","14","","1195","1202","10.1016/0025-5408(79)90214-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012062","5.147","","5.147","","11.7216","","90","","90","","90","","310.524","","","","566","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","","","Clinobisvanite","- Bi O4 V -","- Bi O4 V -","- Bi4 O16 V4 -","4","0.25","","Sleight, A. W.; Chen, H.-Y.; Ferretti, A.; Cox, D. E.","Crystal growth and structure of BiVO4 Sample: T = 566 K","Materials Research Bulletin","1979","14","","1571","1581","10.1016/0025-5408(72)90227-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012769","9.65","","12.731","","11.961","","90","","108.22","","90","","1395.78","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Wagnerite","- F Mg2 O4 P -","- F Mg2 O4 P -","- F16 Mg32 O64 P16 -","16","4","","Amisano Canesi, A.; Chiari, G.","Refinement of very-high-pressure wagnerite, Mg2(PO4)F","European Crystallographic Meeting","1992","14","","189","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013008","3.16","","3.16","","3.16","","90","","90","","90","","31.554","","","","","","","","","","","","Synthetic","1","P m -3 m","-P 4 2 3","221","","","Antimony","- Sb -","- Sb -","- Sb -","1","0.0208333","","Akhtar, D.; Vankar, V. D.; Goel, T. C.; Chopra, K. L.","Metastable structures of liquid-quenched and vapour-quenched antimony films Note: liquid-quenched specimen","Journal of Materials Science","1979","14","","988","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013009","4.61","","4.61","","4.61","","90","","90","","90","","97.972","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","Antimony","- Sb -","- Sb -","- Sb4 -","4","0.0208333","","Akhtar, D.; Vankar, V. D.; Goel, T. C.; Chopra, K. L.","Metastable structures of liquid-quenched and vapour-quenched antimony films Locality: synthetic Note: liquid-quenched specimen","Journal of Materials Science","1979","14","","988","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9013010","3.01","","3.01","","4.96","","90","","90","","90","","44.938","","","","","","","","","","","","Synthetic","1","I 4/m m m","-I 4 2","139","","","Antimony","- Sb -","- Sb -","- Sb2 -","2","0.0625","","Akhtar, D.; Vankar, V. D.; Goel, T. C.; Chopra, K. L.","Metastable structures of liquid-quenched and vapour-quenched antimony films Note: liquid-quenched specimen","Journal of Materials Science","1979","14","","988","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013011","3.33","","3.33","","5.23","","90","","90","","120","","50.225","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Antimony","- Sb -","- Sb -","- Sb2 -","2","0.0833333","","Akhtar, D.; Vankar, V. D.; Goel, T. C.; Chopra, K. L.","Metastable structures of liquid-quenched and vapour-quenched antimony films Locality: synthetic Note: liquid-quenched specimen Note: HCP structure resulted from electron beam heating of the tetragonal, FCC and SC structures","Journal of Materials Science","1979","14","","988","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9013111","2.168","","3.755","","3.416","","90","","90","","90","","27.809","","","","","","","","28300000","","","","Synthetic","1","P 21 21 2","P 2 2ab","18","Beryllium","","Beryllium","- Be -","- Be -","- Be4 -","4","1","","Vijayakumar, V.; Godwal, B. K.; Vohra, Y. K.; Sikka, S. K.; Chidambaram, R.","On the high-pressure phase transition in beryllium metal Sample: at P = 28.3 GPa Note: phase II","Journal of Physics F: Metal Physics","1984","14","","L65","L68","10.1088/0305-4608/14/5/002","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013436","5.2146","","5.0842","","11.7063","","90","","90","","90.394","","310.351","","","","4.5","","","","","","","","Synthetic","3","I 1 1 2/b","-I 2b","15","","","Clinobisvanite","- Bi O4 V -","- Bi O4 V -","- Bi4 O16 V4 -","4","0.5","","Sleight, A. W.; Chen, H.-Y.; Ferretti, A.; Cox, D. E.","Crystal growth and structure of BiVO4 Sample: T = 4.5 K","Materials Research Bulletin","1979","14","","1571","1581","10.1016/0025-5408(72)90227-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013437","5.1935","","5.0898","","11.6972","","90","","90","","90.387","","309.195","","","","295","","","","","","","","Synthetic","3","I 1 1 2/b","-I 2b","15","","","Clinobisvanite","- Bi O4 V -","- Bi O4 V -","- Bi4 O16 V4 -","4","0.5","","Sleight, A. W.; Chen, H.-Y.; Ferretti, A.; Cox, D. E.","Crystal growth and structure of BiVO4 Sample: T = 295 K","Materials Research Bulletin","1979","14","","1571","1581","10.1016/0025-5408(72)90227-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9014042","6.159","","12.131","","9.086","","90","","104.45","","90","","657.384","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Cyanochroite","- Cu K2 O14 S2 -","- Cu K2 O14 S2 -","- Cu2 K4 O28 S4 -","2","0.5","","Carapezza, M.; Di Sanseverino, L. R.","Crystallography and genesis of double sulfates and their hydrates. II. Structure, powder pattern and thermoanalysis of cyanochroite, K2Cu(SO4)2*6H2O","Mineralogica Petrographica Acta","1968","14","","23","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014598","9.663","","8.813","","5.2184","","90","","106.4","","90","","426.318","","","","","","","","","","","","Mount Anakie, Victoria, Australia","6","C 1 2/c 1","-C 2yc","15","","","Diopside","- Ca0.58 Fe0.5 Mg0.5 Na0.42 O6 Si2 -","- Ca0.58 Fe0.5 Mg0.5 Na0.42 O6 Si2 -","- Ca2.32 Fe2 Mg2 Na1.68 O24 Si8 -","4","0.5","","Mills, S. J.; Groat, L. A.","The crystal structure of yellow aegirine-augite from Mount Anakie, Victoria","Australian Journal of Mineralogy","2008","14","","43","45","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015456","15.792","","15.792","","7.0878","","90","","90","","120","","1530.79","","","","","","","","","","","","Olenii Range, Kola Peninsula, Russia","12","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.217 B3.402 Ca0.023 Cl0.001 F0.161 Fe0.042 H3.832 Li0.63 Mn0.087 Na0.541 O30.838 Si5.454 -","- Al8.217 B3.402 Ca0.023 Cl0.001 F0.161 Fe0.042 H3.832 Li0.63 Mn0.087 Na0.541 O30.838 Si5.454 -","- Al24.651 B10.206 Ca0.069 Cl0.003 F0.483 Fe0.126 H11.496 Li1.89 Mn0.261 Na1.623 O92.514 Si16.362 -","3","0.166667","","Schreyer, W.; Hughes, J. M.; Bernhardt, H. J.; Kalt, A.; Prowatke, S.; Ertl, A.","Reexamination of olenite from the type locality: detection of boron in tetrahedral coordination Note: z-coordinate for AlY and y-coordinate for H were altered by Hughes, Aug 2003","European Journal of Mineralogy","2002","14","","935","942","10.1127/0935-1221/2002/0014-0935","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015638","3.007","","3.007","","3.037","","90","","90","","120","","23.782","","","","","","","","","","","","Synthetic","2","P 6/m m m","-P 6 2","191","","","","- B2 Mn -","- B2 Mn -","- B2 Mn -","1","0.0416667","","Aronsson, B.","A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2","Acta Chemica Scandinavica","1960","14","","1414","1418","10.3891/acta.chem.scand.14-1414","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015794","5.722","","5.722","","5.722","","90","","90","","90","","187.346","","","","","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","","- Mn3 Si -","- Mn3 Si -","- Mn12 Si4 -","4","0.0208333","","Aronsson, B.","A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2","Acta Chemica Scandinavica","1960","14","","1414","1418","10.3891/acta.chem.scand.14-1414","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015796","15.5996","","15.5996","","7.0224","","90","","90","","120","","1479.94","","","","","","","","","","","","Synthetic","6","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.88 B5.22 H Na0.77 O31 Si3.78 -","- Al8.88 B5.22 H1.13 Na0.77 O31.52 Si3.78 -","- Al26.64 B15.66 H3.39 Na2.31 O94.56 Si11.34 -","3","0.166667","","Marler, B.; Borowski, M.; Wodara, U.; Schreyer, W.","Synthetic tourmaline (olenite) with excess boron replacing silicon in the tetrahedral site: II. Structure analysis Sample: 1","European Journal of Mineralogy","2002","14","","763","771","10.1127/0935-1221/2002/0014-0763","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:26",""
"9016134","2.684","","2.684","","5.128","","90","","90","","90","","36.941","","","","","","","","","","","","Synthetic","2","P 4/m m m","-P 4 2","123","","","Linzhiite","- Fe Si2 -","- Fe Si2 -","- Fe Si2 -","1","0.0625","","Aronsson, B.","A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2","Acta Chemica Scandinavica","1960","14","","1414","1418","10.3891/acta.chem.scand.14-1414","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016260","6.91","","6.91","","4.814","","90","","90","","120","","199.064","","","","","","","","","","","","Synthetic","2","P 63/m c m","-P 6c 2","193","","","Mavlyanovite","- Mn5 Si3 -","- Mn5 Si3 -","- Mn10 Si6 -","2","0.0833333","","Aronsson, B.","A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2","Acta Chemica Scandinavica","1960","14","","1414","1418","10.3891/acta.chem.scand.14-1414","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017288","8.5616","","12.9962","","7.1934","","90","","116.015","","90","","719.3","","","","","","","","","","","","Mogok, Upper Burma","4","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al0.98 K O8 Si3.02 -","- Al0.98 K O8 Si3.02 -","- Al3.92 K4 O32 Si12.08 -","4","0.5","","Jones, J. B.; Taylor, W. H.","The structure of orthoclase","Acta Crystallographica","1961","14","","443","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017408","7.112","","7.112","","25.4089","","90","","90","","120","","1113.01","","","","","","","","","","","","theoretical","3","P 65","P 65","170","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C18 Ca18 O54 -","18","3","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017409","7.1239","","7.1239","","25.3203","","90","","90","","120","","1112.85","","","","","","","","","","","","theoretical","3","P 32 2 1","P 32 2""","154","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C18 Ca18 O54 -","18","3","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017410","8.4905","","6.3905","","4.5026","","90","","90","","90","","244.305","","","","","","","","","","","","theoretical","3","A m a 2","A 2 -2a","40","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017411","4.3668","","6.5831","","8.4282","","90","","90","","90","","242.286","","","","","","","","","","","","theoretical","3","P 21 21 21","P 2ac 2ab","19","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","1","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017506","2.826","","2.826","","10.16","","90","","90","","120","","70.27","","","","","","","","","","","","Synthetic","1","R -3 m :H","-R 3 2""","166","","","Oxygen","- O2 -","- O2 -","- O6 -","3","0.0833333","","Uemura, E.; Akahama, Y.; Kawamura, H.; Bihan, T. L.; Shobu, T.; Noda, Y.; Shimomura, O.","Structural studies of beta-O2 under pressure","Journal of Physics: Condensed Matter","2002","14","","10423","10428","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""